smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2	ZINC001164650499	719315721	/nfs/dbraw/zinc/31/57/21/719315721.db2.gz	FQRAELISOHSJEL-UHFFFAOYSA-N	1	1	418.567	1.924	20	0		HDADMO
CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)nc2N1C1CCCC1	ZINC001164667658	719393682	/nfs/dbraw/zinc/39/36/82/719393682.db2.gz	OJQBKBHHYYYXSL-NJAFHUGGSA-N	1	1	400.527	1.500	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1	ZINC001164672361	719422171	/nfs/dbraw/zinc/42/21/71/719422171.db2.gz	QXKUGCXELGCZBN-QZTJIDSGSA-N	1	1	418.519	1.800	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1	ZINC001164672361	719422174	/nfs/dbraw/zinc/42/21/74/719422174.db2.gz	QXKUGCXELGCZBN-QZTJIDSGSA-N	1	1	418.519	1.800	20	0		HDADMO
Cn1ncc2c1CN(c1ccnc(N3CC[NH+](C)CC3)n1)C[C@@H]2COc1cccnc1	ZINC001164686193	719599765	/nfs/dbraw/zinc/59/97/65/719599765.db2.gz	OHCOVAAFHWUAKG-QGZVFWFLSA-N	1	1	420.521	1.540	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2	ZINC001164692018	719754521	/nfs/dbraw/zinc/75/45/21/719754521.db2.gz	QXFIWOXZOUGAJS-ZDUSSCGKSA-N	1	1	409.918	1.587	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2	ZINC001164690127	719754823	/nfs/dbraw/zinc/75/48/23/719754823.db2.gz	UCNCYEWQGKTPJG-CQSZACIVSA-N	1	1	409.918	1.479	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2	ZINC001164689827	719756681	/nfs/dbraw/zinc/75/66/81/719756681.db2.gz	KUAMUAFFLCRYIW-UHFFFAOYSA-N	1	1	403.861	1.864	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1-c1nc(C)no1	ZINC001164702879	719869352	/nfs/dbraw/zinc/86/93/52/719869352.db2.gz	JFZAORBSBYFTCY-QRWLVFNGSA-N	1	1	401.467	1.673	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1	ZINC001164705728	719871636	/nfs/dbraw/zinc/87/16/36/719871636.db2.gz	OCWRWKKGYPETHG-UGKGYDQZSA-N	1	1	402.539	1.909	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164697043	719894987	/nfs/dbraw/zinc/89/49/87/719894987.db2.gz	IZAKFIVWHYCTEB-UHFFFAOYSA-N	1	1	422.576	1.923	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164697043	719894989	/nfs/dbraw/zinc/89/49/89/719894989.db2.gz	IZAKFIVWHYCTEB-UHFFFAOYSA-N	1	1	422.576	1.923	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)nc1)C1CC1	ZINC001164703623	719922329	/nfs/dbraw/zinc/92/23/29/719922329.db2.gz	LCJHFDXKKPOFQP-YZGWKJHDSA-N	1	1	400.523	1.929	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cncc(SCC(=O)OC)n1)C2	ZINC001164817866	720180669	/nfs/dbraw/zinc/18/06/69/720180669.db2.gz	QPWWGLUMTDCOHO-OXQOHEQNSA-N	1	1	406.552	1.926	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1C	ZINC001164717226	720210903	/nfs/dbraw/zinc/21/09/03/720210903.db2.gz	GVYFCTDOVSMRRP-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1C	ZINC001164717226	720210909	/nfs/dbraw/zinc/21/09/09/720210909.db2.gz	GVYFCTDOVSMRRP-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CCCCC4)nn3)C2)C1	ZINC001164720038	720211139	/nfs/dbraw/zinc/21/11/39/720211139.db2.gz	VICJGXIVRLVMFA-NRFANRHFSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CCCCC4)nn3)C2)C1	ZINC001164720038	720211159	/nfs/dbraw/zinc/21/11/59/720211159.db2.gz	VICJGXIVRLVMFA-NRFANRHFSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc(C)c(C)c43)C2)C1	ZINC001164716025	720221293	/nfs/dbraw/zinc/22/12/93/720221293.db2.gz	ABLRJVODTHHURH-FQEVSTJZSA-N	1	1	403.552	1.973	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc(C)c(C)c43)C2)C1	ZINC001164716025	720221303	/nfs/dbraw/zinc/22/13/03/720221303.db2.gz	ABLRJVODTHHURH-FQEVSTJZSA-N	1	1	403.552	1.973	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4nc(Cl)ccc43)C2)C1	ZINC001164716891	720222970	/nfs/dbraw/zinc/22/29/70/720222970.db2.gz	GGNDUMWVPHEGIE-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4nc(Cl)ccc43)C2)C1	ZINC001164716891	720222980	/nfs/dbraw/zinc/22/29/80/720222980.db2.gz	GGNDUMWVPHEGIE-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)cc(C(=O)OC)n3)C2)C1	ZINC001164717242	720224916	/nfs/dbraw/zinc/22/49/16/720224916.db2.gz	HFMYPKUPXQOVEV-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)cc(C(=O)OC)n3)C2)C1	ZINC001164717242	720224920	/nfs/dbraw/zinc/22/49/20/720224920.db2.gz	HFMYPKUPXQOVEV-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CCOc1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2c1	ZINC001164720473	720255776	/nfs/dbraw/zinc/25/57/76/720255776.db2.gz	WXFLQDVTMHAQCG-QFIPXVFZSA-N	1	1	413.522	1.693	20	0		HDADMO
CCOc1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2c1	ZINC001164720473	720255790	/nfs/dbraw/zinc/25/57/90/720255790.db2.gz	WXFLQDVTMHAQCG-QFIPXVFZSA-N	1	1	413.522	1.693	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1	ZINC001164718988	720255850	/nfs/dbraw/zinc/25/58/50/720255850.db2.gz	JYXYJMSTMYSWHF-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1	ZINC001164718988	720255860	/nfs/dbraw/zinc/25/58/60/720255860.db2.gz	JYXYJMSTMYSWHF-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CCCCC4)n3)C2)C1	ZINC001164720655	720269266	/nfs/dbraw/zinc/26/92/66/720269266.db2.gz	BURLAXHBVRZGHD-NRFANRHFSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CCCCC4)n3)C2)C1	ZINC001164720655	720269271	/nfs/dbraw/zinc/26/92/71/720269271.db2.gz	BURLAXHBVRZGHD-NRFANRHFSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4nc(SC)sc43)C2)C1	ZINC001164721932	720270584	/nfs/dbraw/zinc/27/05/84/720270584.db2.gz	NCDHCNCQVDDHCJ-SFHVURJKSA-N	1	1	422.580	1.473	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4nc(SC)sc43)C2)C1	ZINC001164721932	720270597	/nfs/dbraw/zinc/27/05/97/720270597.db2.gz	NCDHCNCQVDDHCJ-SFHVURJKSA-N	1	1	422.580	1.473	20	0		HDADMO
CCCN(CCC)c1cncc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1	ZINC001164720958	720270660	/nfs/dbraw/zinc/27/06/60/720270660.db2.gz	GBNQTYXDXYTQCQ-JOCHJYFZSA-N	1	1	418.586	1.768	20	0		HDADMO
CCCN(CCC)c1cncc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1	ZINC001164720958	720270671	/nfs/dbraw/zinc/27/06/71/720270671.db2.gz	GBNQTYXDXYTQCQ-JOCHJYFZSA-N	1	1	418.586	1.768	20	0		HDADMO
CCc1cc2c(nc(Cl)nc2N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)[nH]1	ZINC001164722306	720277410	/nfs/dbraw/zinc/27/74/10/720277410.db2.gz	PNTRHHFHWZRREN-FQEVSTJZSA-N	1	1	420.945	1.839	20	0		HDADMO
CCc1cc2c(nc(Cl)nc2N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)[nH]1	ZINC001164722306	720277424	/nfs/dbraw/zinc/27/74/24/720277424.db2.gz	PNTRHHFHWZRREN-FQEVSTJZSA-N	1	1	420.945	1.839	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1	ZINC001164720934	720282875	/nfs/dbraw/zinc/28/28/75/720282875.db2.gz	FQWJVUXAKUQROQ-JOCHJYFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1	ZINC001164720934	720282880	/nfs/dbraw/zinc/28/28/80/720282880.db2.gz	FQWJVUXAKUQROQ-JOCHJYFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1	ZINC001164722289	720291400	/nfs/dbraw/zinc/29/14/00/720291400.db2.gz	PKAMKFHZALAHEF-FQEVSTJZSA-N	1	1	407.946	1.981	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1	ZINC001164722289	720291411	/nfs/dbraw/zinc/29/14/11/720291411.db2.gz	PKAMKFHZALAHEF-FQEVSTJZSA-N	1	1	407.946	1.981	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(SC)nc(SC)n3)C2)C1	ZINC001164724634	720308722	/nfs/dbraw/zinc/30/87/22/720308722.db2.gz	SQLULQGRIRHGEA-GOSISDBHSA-N	1	1	411.597	1.585	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(SC)nc(SC)n3)C2)C1	ZINC001164724634	720308730	/nfs/dbraw/zinc/30/87/30/720308730.db2.gz	SQLULQGRIRHGEA-GOSISDBHSA-N	1	1	411.597	1.585	20	0		HDADMO
CC(=O)N(C)Cc1nnc2n1CCCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2	ZINC001164823664	720414809	/nfs/dbraw/zinc/41/48/09/720414809.db2.gz	IRASYOSIULPYJY-UHFFFAOYSA-N	1	1	413.526	1.535	20	0		HDADMO
CC(C)[N@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)N(C)[C@H](C)C(=O)N4)CC[C@H]21	ZINC001164840719	720549257	/nfs/dbraw/zinc/54/92/57/720549257.db2.gz	SQBDZKDQKQWTTP-YWTNHNAXSA-N	1	1	424.553	1.828	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1	ZINC001164842857	720602462	/nfs/dbraw/zinc/60/24/62/720602462.db2.gz	WBIJUNXNXNJVSQ-ZHALLVOQSA-N	1	1	418.567	1.564	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1OC	ZINC001164838237	720649539	/nfs/dbraw/zinc/64/95/39/720649539.db2.gz	GQLZLPBPBKGLSD-IXDOHACOSA-N	1	1	414.510	1.846	20	0		HDADMO
COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c(OC)c1	ZINC001164738475	720709285	/nfs/dbraw/zinc/70/92/85/720709285.db2.gz	JYQPUCBVBUNJOK-GDBMZVCRSA-N	1	1	408.462	1.779	20	0		HDADMO
CN(C)c1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164740502	720721621	/nfs/dbraw/zinc/72/16/21/720721621.db2.gz	QQHVXWFRCPPFDS-ZWKOTPCHSA-N	1	1	418.505	1.737	20	0		HDADMO
CN(C)c1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164740495	720722093	/nfs/dbraw/zinc/72/20/93/720722093.db2.gz	QQHVXWFRCPPFDS-MSOLQXFVSA-N	1	1	418.505	1.737	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH]c-2n1	ZINC001164746301	720733070	/nfs/dbraw/zinc/73/30/70/720733070.db2.gz	XCMFKHARPJNPJW-JKSUJKDBSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2[nH]1	ZINC001164746301	720733076	/nfs/dbraw/zinc/73/30/76/720733076.db2.gz	XCMFKHARPJNPJW-JKSUJKDBSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2[nH]1	ZINC001164746301	720733084	/nfs/dbraw/zinc/73/30/84/720733084.db2.gz	XCMFKHARPJNPJW-JKSUJKDBSA-N	1	1	408.462	1.872	20	0		HDADMO
FC(F)(COc1ccc(Cl)nn1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743419	720762121	/nfs/dbraw/zinc/76/21/21/720762121.db2.gz	QAEFMTICOMVKEP-CHWSQXEVSA-N	1	1	412.828	1.729	20	0		HDADMO
O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1	ZINC001164737174	720770589	/nfs/dbraw/zinc/77/05/89/720770589.db2.gz	AJETZLHWFADKPD-MOPGFXCFSA-N	1	1	404.474	1.424	20	0		HDADMO
O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1	ZINC001164737175	720771552	/nfs/dbraw/zinc/77/15/52/720771552.db2.gz	AJETZLHWFADKPD-OALUTQOASA-N	1	1	404.474	1.424	20	0		HDADMO
CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2C1	ZINC001164743516	720801287	/nfs/dbraw/zinc/80/12/87/720801287.db2.gz	GHQQVXGXSVAFFO-KGLIPLIRSA-N	1	1	401.902	1.250	20	0		HDADMO
NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748684	720813499	/nfs/dbraw/zinc/81/34/99/720813499.db2.gz	QXNVUOHROXCNAY-ZMSDIMECSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164738802	720818725	/nfs/dbraw/zinc/81/87/25/720818725.db2.gz	GUMHVZARXNPVPG-IIAWOOMASA-N	1	1	416.917	1.200	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740184	720822825	/nfs/dbraw/zinc/82/28/25/720822825.db2.gz	JKVUFNWQOHUAMM-IIAWOOMASA-N	1	1	416.917	1.200	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cn1	ZINC001164738794	720826146	/nfs/dbraw/zinc/82/61/46/720826146.db2.gz	GSUSEGBFHOXODR-JENIJYKNSA-N	1	1	411.510	1.624	20	0		HDADMO
NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745604	720829958	/nfs/dbraw/zinc/82/99/58/720829958.db2.gz	XDAGZBKTIINLFY-YQQAZPJKSA-N	1	1	415.929	1.805	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21	ZINC001164743816	720829970	/nfs/dbraw/zinc/82/99/70/720829970.db2.gz	SNAFRPGUSLSLCT-XUVXKRRUSA-N	1	1	419.533	1.904	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@H]2C1	ZINC001164850976	720835547	/nfs/dbraw/zinc/83/55/47/720835547.db2.gz	FXVUGXLUBFTSDU-JSGCOSHPSA-N	1	1	418.872	1.552	20	0		HDADMO
Clc1[n-][nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncnc1-2	ZINC001164745751	720836504	/nfs/dbraw/zinc/83/65/04/720836504.db2.gz	NEKJRCYXVGEYCX-RBSFLKMASA-N	1	1	413.917	1.977	20	0		HDADMO
CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164741923	720836657	/nfs/dbraw/zinc/83/66/57/720836657.db2.gz	FWXVDMKXFZJIHZ-NLWGTHIKSA-N	1	1	409.538	1.802	20	0		HDADMO
c1cn(-c2cncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cn1	ZINC001164747399	720838739	/nfs/dbraw/zinc/83/87/39/720838739.db2.gz	QMAGQDVXSMQAPT-GUDVDZBRSA-N	1	1	405.510	1.633	20	0		HDADMO
c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1	ZINC001164746645	720840442	/nfs/dbraw/zinc/84/04/42/720840442.db2.gz	PUHXZKMGPQZBQG-QHAWAJNXSA-N	1	1	423.565	1.889	20	0		HDADMO
c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164746645	720840443	/nfs/dbraw/zinc/84/04/43/720840443.db2.gz	PUHXZKMGPQZBQG-QHAWAJNXSA-N	1	1	423.565	1.889	20	0		HDADMO
CN(C)C(=O)c1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164739966	720849845	/nfs/dbraw/zinc/84/98/45/720849845.db2.gz	BEPSHDGYQKTAIF-JENIJYKNSA-N	1	1	410.526	1.149	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164750366	720852707	/nfs/dbraw/zinc/85/27/07/720852707.db2.gz	PPAFNPOZQNLDKC-ILZDJORESA-N	1	1	422.537	1.340	20	0		HDADMO
COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c1ccn2C	ZINC001164744036	720858560	/nfs/dbraw/zinc/85/85/60/720858560.db2.gz	BHEUPBGBMOXCHG-ZIFCJYIRSA-N	1	1	422.537	1.948	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C\C(=O)OC)cc4cc[nH]c43)CC[C@H]2C1	ZINC001164852035	720868678	/nfs/dbraw/zinc/86/86/78/720868678.db2.gz	BUUKDWWOAYDXDO-VKCQWTKXSA-N	1	1	414.506	1.923	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)CC[C@@H]2C1	ZINC001164864499	720878762	/nfs/dbraw/zinc/87/87/62/720878762.db2.gz	VYLMFTUGRCOYEG-ZIAGYGMSSA-N	1	1	406.861	1.771	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c(OC)cc(OC)cc43)CC[C@@H]2C1	ZINC001164864427	720890026	/nfs/dbraw/zinc/89/00/26/720890026.db2.gz	VSKYOAIMXLTFBG-DNVCBOLYSA-N	1	1	402.495	1.821	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nnc3OC)CC[C@@H]2C1	ZINC001164862885	720890268	/nfs/dbraw/zinc/89/02/68/720890268.db2.gz	RSLBDRQRYJYCOU-OCCSQVGLSA-N	1	1	406.861	1.857	20	0		HDADMO
CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)cc2C1	ZINC001164858570	720891427	/nfs/dbraw/zinc/89/14/27/720891427.db2.gz	LDQCIKSNLKMZJE-UWVAXJGDSA-N	1	1	418.538	1.318	20	0		HDADMO
CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]12	ZINC001164758957	721000595	/nfs/dbraw/zinc/00/05/95/721000595.db2.gz	XRUOFWGCZYLYLJ-AHRSYUTCSA-N	1	1	417.554	1.667	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)n2)CC1	ZINC001164760381	721032053	/nfs/dbraw/zinc/03/20/53/721032053.db2.gz	CPGORFJPUGIFQP-NZQKXSOJSA-N	1	1	424.549	1.968	20	0		HDADMO
c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)CC[N@H+]3C2)c1	ZINC001164867980	721051679	/nfs/dbraw/zinc/05/16/79/721051679.db2.gz	LPJWOBLYAXYPKB-VXKWHMMOSA-N	1	1	409.534	1.789	20	0		HDADMO
CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21	ZINC001164872217	721129959	/nfs/dbraw/zinc/12/99/59/721129959.db2.gz	GYEFNIKBJQAPHU-HOTGVXAUSA-N	1	1	416.913	1.833	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001164876538	721140130	/nfs/dbraw/zinc/14/01/30/721140130.db2.gz	NBEPHDWQZBVTPB-ROUUACIJSA-N	1	1	417.535	1.207	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164880667	721167169	/nfs/dbraw/zinc/16/71/69/721167169.db2.gz	WVFLZYDNJFVJMG-GJZGRUSLSA-N	1	1	403.870	1.791	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164867460	721194910	/nfs/dbraw/zinc/19/49/10/721194910.db2.gz	GHKJTQPFWLYJMM-HZPDHXFCSA-N	1	1	416.913	1.754	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1	ZINC001164764054	721196527	/nfs/dbraw/zinc/19/65/27/721196527.db2.gz	GCXAWGJJEYMPLE-QZTJIDSGSA-N	1	1	418.567	1.460	20	0		HDADMO
CNC(=O)[C@]12CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]1N(c1ncccn1)CCC2	ZINC001164871360	721207985	/nfs/dbraw/zinc/20/79/85/721207985.db2.gz	YRGFRVJSWRKVNN-AUSIDOKSSA-N	1	1	421.549	1.687	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)n2)CC1	ZINC001164879220	721251669	/nfs/dbraw/zinc/25/16/69/721251669.db2.gz	WLJDATURJOJYNN-UFYCRDLUSA-N	1	1	410.522	1.829	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(N4CCCCC4)nn3)CC2)C1	ZINC001164872043	721261187	/nfs/dbraw/zinc/26/11/87/721261187.db2.gz	CQLLQXQFANKFRJ-UHFFFAOYSA-N	1	1	416.570	1.474	20	0		HDADMO
CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(C)c1	ZINC001164869323	721267882	/nfs/dbraw/zinc/26/78/82/721267882.db2.gz	KDITUJLCLWWQIG-UHFFFAOYSA-N	1	1	418.538	1.574	20	0		HDADMO
COc1nc(Cl)nc(C)c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164868956	721272929	/nfs/dbraw/zinc/27/29/29/721272929.db2.gz	HAWFFNYBRSNDDQ-UHFFFAOYSA-N	1	1	411.934	1.454	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(Cl)c4ccoc43)CC2)C1	ZINC001164874517	721279536	/nfs/dbraw/zinc/27/95/36/721279536.db2.gz	TVINOXMOEOSUOX-UHFFFAOYSA-N	1	1	407.902	1.883	20	0		HDADMO
COC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cn1	ZINC001164777441	721332891	/nfs/dbraw/zinc/33/28/91/721332891.db2.gz	NIGZJRXDXFBZRJ-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cn1	ZINC001164777441	721332894	/nfs/dbraw/zinc/33/28/94/721332894.db2.gz	NIGZJRXDXFBZRJ-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C(N)=O)n3)C2)C1	ZINC001164777446	721338605	/nfs/dbraw/zinc/33/86/05/721338605.db2.gz	NLIFNJHKLFKUIB-FQEVSTJZSA-N	1	1	400.483	1.299	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C(N)=O)n3)C2)C1	ZINC001164777446	721338612	/nfs/dbraw/zinc/33/86/12/721338612.db2.gz	NLIFNJHKLFKUIB-FQEVSTJZSA-N	1	1	400.483	1.299	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(-n4cncn4)n3)C2)C1	ZINC001164785304	721368592	/nfs/dbraw/zinc/36/85/92/721368592.db2.gz	UIANYPBUAGZHBL-OAQYLSRUSA-N	1	1	424.509	1.781	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cncc(-n4cncn4)n3)C2)C1	ZINC001164785304	721368594	/nfs/dbraw/zinc/36/85/94/721368594.db2.gz	UIANYPBUAGZHBL-OAQYLSRUSA-N	1	1	424.509	1.781	20	0		HDADMO
Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C(N)=O	ZINC001164885060	721385128	/nfs/dbraw/zinc/38/51/28/721385128.db2.gz	CFRBGOPYDNRJAS-IIBYNOLFSA-N	1	1	421.973	1.908	20	0		HDADMO
COc1cnc(SC)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164894640	721386033	/nfs/dbraw/zinc/38/60/33/721386033.db2.gz	ZPIKSRUCOUUDMU-JXFKEZNVSA-N	1	1	407.584	1.973	20	0		HDADMO
Clc1nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(N2CCOCC2)n1	ZINC001164783416	721399509	/nfs/dbraw/zinc/39/95/09/721399509.db2.gz	HZJLDCXCRMHCMO-STQMWFEESA-N	1	1	407.931	1.386	20	0		HDADMO
COc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1	ZINC001164889949	721411267	/nfs/dbraw/zinc/41/12/67/721411267.db2.gz	RXAXSTICUSANGW-OXJNMPFZSA-N	1	1	407.584	1.973	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1	ZINC001164897727	721424602	/nfs/dbraw/zinc/42/46/02/721424602.db2.gz	UNUKOPMXAUSCTL-UGKGYDQZSA-N	1	1	400.571	1.842	20	0		HDADMO
O=S(=O)(NC1CC1)c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164786361	721428014	/nfs/dbraw/zinc/42/80/14/721428014.db2.gz	OMRIVXGHEBKZAW-ZIAGYGMSSA-N	1	1	405.549	1.547	20	0		HDADMO
O=S(=O)(c1ccnc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1)N1CCCC1	ZINC001164785689	721432180	/nfs/dbraw/zinc/43/21/80/721432180.db2.gz	OBFSPESTUGBGGD-HOTGVXAUSA-N	1	1	419.576	1.891	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164894931	721444742	/nfs/dbraw/zinc/44/47/42/721444742.db2.gz	NLBBTSLLITZPDP-WIYYLYMNSA-N	1	1	412.542	1.131	20	0		HDADMO
COc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2c1ccn2C	ZINC001164889150	721448275	/nfs/dbraw/zinc/44/82/75/721448275.db2.gz	NYFHQPGKVWPMDI-VGSWGCGISA-N	1	1	414.554	1.742	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(N)=O)n1)CC2	ZINC001164788553	721453147	/nfs/dbraw/zinc/45/31/47/721453147.db2.gz	RHLCGARSZNHGOR-QGZVFWFLSA-N	1	1	403.527	1.309	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164889143	721453602	/nfs/dbraw/zinc/45/36/02/721453602.db2.gz	NXRNIOJMNCJISC-GHTZIAJQSA-N	1	1	422.595	1.641	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(N)=O)nn1)CC2	ZINC001164784478	721454128	/nfs/dbraw/zinc/45/41/28/721454128.db2.gz	FSAASRBYXQHFPL-QGZVFWFLSA-N	1	1	403.527	1.309	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@H]43)c2)CC1	ZINC001164884870	721459291	/nfs/dbraw/zinc/45/92/91/721459291.db2.gz	BMJYKQWJSWZICX-HSALFYBXSA-N	1	1	400.523	1.817	20	0		HDADMO
CN1CCN(c2cccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)n2)CC1	ZINC001164790542	721483974	/nfs/dbraw/zinc/48/39/74/721483974.db2.gz	FSMFVRSWXZLILR-QYZOEREBSA-N	1	1	409.538	1.386	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCOCC3)ncn2)[C@H]2CCCO[C@H]12	ZINC001164808997	721531735	/nfs/dbraw/zinc/53/17/35/721531735.db2.gz	SZRDFCZGHSQPMO-JQVVWYNYSA-N	1	1	410.522	1.576	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C	ZINC001164907132	721536322	/nfs/dbraw/zinc/53/63/22/721536322.db2.gz	MFPLIPYHNLSPRD-UNEWFSDZSA-N	1	1	412.469	1.734	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164907595	721543454	/nfs/dbraw/zinc/54/34/54/721543454.db2.gz	NGLQJYIIGALJSD-SJLPKXTDSA-N	1	1	420.510	1.861	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164806255	721565850	/nfs/dbraw/zinc/56/58/50/721565850.db2.gz	PLNQOUGWGKWPOZ-JENIJYKNSA-N	1	1	417.535	1.253	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164806255	721565852	/nfs/dbraw/zinc/56/58/52/721565852.db2.gz	PLNQOUGWGKWPOZ-JENIJYKNSA-N	1	1	417.535	1.253	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164799706	721568960	/nfs/dbraw/zinc/56/89/60/721568960.db2.gz	DGEWATXSNORXGB-UFYCRDLUSA-N	1	1	411.506	1.978	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164799706	721568964	/nfs/dbraw/zinc/56/89/64/721568964.db2.gz	DGEWATXSNORXGB-UFYCRDLUSA-N	1	1	411.506	1.978	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164811515	721590720	/nfs/dbraw/zinc/59/07/20/721590720.db2.gz	YAWTYYGFSUPTOR-BQFCYCMXSA-N	1	1	416.913	1.753	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164811515	721590724	/nfs/dbraw/zinc/59/07/24/721590724.db2.gz	YAWTYYGFSUPTOR-BQFCYCMXSA-N	1	1	416.913	1.753	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@H]2CCCO[C@@H]12	ZINC001164801499	721590768	/nfs/dbraw/zinc/59/07/68/721590768.db2.gz	FBXHEIQFAFPJFL-HDMKZQKVSA-N	1	1	412.519	1.784	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@H]2CCCO[C@@H]12	ZINC001164801499	721590769	/nfs/dbraw/zinc/59/07/69/721590769.db2.gz	FBXHEIQFAFPJFL-HDMKZQKVSA-N	1	1	412.519	1.784	20	0		HDADMO
Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ccnc(N3CC[NH+](C)CC3)n2)C1	ZINC001164808306	721606799	/nfs/dbraw/zinc/60/67/99/721606799.db2.gz	XRLDNDLGIHTWQJ-QFIPXVFZSA-N	1	1	424.553	1.071	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)n2)CC1	ZINC001164932437	721897517	/nfs/dbraw/zinc/89/75/17/721897517.db2.gz	HYICBKVNDIBUHV-QRQLOZEOSA-N	1	1	414.554	1.129	20	0		HDADMO
c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2nc3c(c(N4CCOCC4)n2)CNC3)c1	ZINC001164938089	721913578	/nfs/dbraw/zinc/91/35/78/721913578.db2.gz	WEMFZCLLXQRQDS-IYBDPMFKSA-N	1	1	412.563	1.831	20	0		HDADMO
Cc1ccc(N(c2cccc(N3CCN(C)CC3)n2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001164957546	722025424	/nfs/dbraw/zinc/02/54/24/722025424.db2.gz	CGIZGSVLWDCDHJ-WMZHIEFXSA-N	1	1	423.565	1.981	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)n2)CC1	ZINC001164956276	722034845	/nfs/dbraw/zinc/03/48/45/722034845.db2.gz	DDVMYWHUXPIBBB-GCJKJVERSA-N	1	1	407.522	1.156	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1	ZINC001164963302	722061339	/nfs/dbraw/zinc/06/13/39/722061339.db2.gz	WFKUNVQHDVCOIX-UHFFFAOYSA-N	1	1	420.521	1.880	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1C	ZINC001164967854	722074907	/nfs/dbraw/zinc/07/49/07/722074907.db2.gz	ZYNKIDKFACAOGN-BETUJISGSA-N	1	1	405.886	1.708	20	0		HDADMO
O=C(c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)c1)N1CCOCC1	ZINC001164967167	722076114	/nfs/dbraw/zinc/07/61/14/722076114.db2.gz	MBNYBQKLQKKDIL-CALCHBBNSA-N	1	1	406.914	1.507	20	0		HDADMO
CCOC(=O)Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164979155	722124079	/nfs/dbraw/zinc/12/40/79/722124079.db2.gz	PHDIBMFPQHVEEI-PMACEKPBSA-N	1	1	411.506	1.705	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164982229	722126148	/nfs/dbraw/zinc/12/61/48/722126148.db2.gz	WOUFEDGDMAAZNC-GJZGRUSLSA-N	1	1	402.886	1.351	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1	ZINC001164978934	722148667	/nfs/dbraw/zinc/14/86/67/722148667.db2.gz	LCDQANCKPPHASV-PMACEKPBSA-N	1	1	411.506	1.837	20	0		HDADMO
NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164972211	722152675	/nfs/dbraw/zinc/15/26/75/722152675.db2.gz	GXOHXJZHALETCA-WBVHZDCISA-N	1	1	401.898	1.956	20	0		HDADMO
O=C1CSc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2N1	ZINC001164972094	722156512	/nfs/dbraw/zinc/15/65/12/722156512.db2.gz	FKZPPNCNGPTPLM-HZPDHXFCSA-N	1	1	412.519	1.643	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1OC	ZINC001164973154	722158311	/nfs/dbraw/zinc/15/83/11/722158311.db2.gz	LMCKNPMZAFWZPJ-IAGOWNOFSA-N	1	1	413.478	1.394	20	0		HDADMO
CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2	ZINC001164990231	722187781	/nfs/dbraw/zinc/18/77/81/722187781.db2.gz	KWANCBZXYZEHJD-SFHVURJKSA-N	1	1	416.570	1.330	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(Cl)ncn2)CC3)CC1	ZINC001164996438	722228639	/nfs/dbraw/zinc/22/86/39/722228639.db2.gz	HGFHIKSHDIWNHZ-UHFFFAOYSA-N	1	1	409.872	1.822	20	0		HDADMO
COC(=O)c1c(C)cc(C)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997584	722233271	/nfs/dbraw/zinc/23/32/71/722233271.db2.gz	REVIAIYMLQBBQF-UHFFFAOYSA-N	1	1	410.522	1.632	20	0		HDADMO
CCOC(=O)c1c(C)ncnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997556	722233864	/nfs/dbraw/zinc/23/38/64/722233864.db2.gz	PRSRJWFRDFNHLU-UHFFFAOYSA-N	1	1	411.510	1.109	20	0		HDADMO
CNC(=O)c1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ccc1Cl	ZINC001164996710	722234870	/nfs/dbraw/zinc/23/48/70/722234870.db2.gz	ICKPDGSOPGUBJH-UHFFFAOYSA-N	1	1	415.929	1.242	20	0		HDADMO
COC(OC)c1cc(C)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997582	722235832	/nfs/dbraw/zinc/23/58/32/722235832.db2.gz	RCRVGSPSOAMIEC-UHFFFAOYSA-N	1	1	412.538	1.828	20	0		HDADMO
Cc1noc(-c2ccnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2)n1	ZINC001165001069	722238072	/nfs/dbraw/zinc/23/80/72/722238072.db2.gz	AYQBNKNDELZNHQ-UHFFFAOYSA-N	1	1	406.494	1.587	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN([C@H](F)Oc2cncc(Cl)n2)CC3)CC1	ZINC001165001987	722239176	/nfs/dbraw/zinc/23/91/76/722239176.db2.gz	PVWLBOAFVARBMD-SFHVURJKSA-N	1	1	407.881	1.405	20	0		HDADMO
Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]2C1	ZINC001165003354	722244548	/nfs/dbraw/zinc/24/45/48/722244548.db2.gz	KDRRARPYVVLSNE-WIYYLYMNSA-N	1	1	409.534	1.992	20	0		HDADMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000429047559	1073467680	/nfs/dbraw/zinc/46/76/80/1073467680.db2.gz	XKEQEDLZMNUOMD-RTWAWAEBSA-N	1	1	412.538	1.991	20	0		HDADMO
NC(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC2)cc1	ZINC000673640696	1073474585	/nfs/dbraw/zinc/47/45/85/1073474585.db2.gz	ZIKOCSZYLMCQKO-OAQYLSRUSA-N	1	1	407.518	1.489	20	0		HDADMO
NC(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC2)cc1	ZINC000673640696	1073474592	/nfs/dbraw/zinc/47/45/92/1073474592.db2.gz	ZIKOCSZYLMCQKO-OAQYLSRUSA-N	1	1	407.518	1.489	20	0		HDADMO
O=C(NCCN1Cc2ccccc2C1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000671396324	1073476722	/nfs/dbraw/zinc/47/67/22/1073476722.db2.gz	MKKUVIXKIOAWCR-UHFFFAOYSA-N	1	1	406.530	1.853	20	0		HDADMO
CNC(=O)Cn1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1	ZINC000429053903	1073476759	/nfs/dbraw/zinc/47/67/59/1073476759.db2.gz	OHQAQGIJVKGXGH-SFHVURJKSA-N	1	1	400.483	1.042	20	0		HDADMO
CNC(=O)CCOC1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1	ZINC000429054727	1073483398	/nfs/dbraw/zinc/48/33/98/1073483398.db2.gz	QMBQHSCVSVGKRW-UHFFFAOYSA-N	1	1	418.538	1.710	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1	ZINC001299281562	1073491909	/nfs/dbraw/zinc/49/19/09/1073491909.db2.gz	OUXLLICOFQLVEB-DLBZAZTESA-N	1	1	410.559	1.691	20	0		HDADMO
O=C(Cn1cc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)cn1)NCCO	ZINC000429068595	1073508104	/nfs/dbraw/zinc/50/81/04/1073508104.db2.gz	MRKRDOUQKBSKSI-UHFFFAOYSA-N	1	1	418.523	1.184	20	0		HDADMO
CCC(CC)(CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)C(=O)OC	ZINC000429076042	1073513952	/nfs/dbraw/zinc/51/39/52/1073513952.db2.gz	HGDIWITXRCAUBN-QGZVFWFLSA-N	1	1	405.543	1.871	20	0		HDADMO
CNC(=O)C(C)(C)CNC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000429078539	1073522128	/nfs/dbraw/zinc/52/21/28/1073522128.db2.gz	YKFBVWNNUYADQK-UHFFFAOYSA-N	1	1	409.962	1.924	20	0		HDADMO
CCC[C@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1=O	ZINC000509101776	1073525605	/nfs/dbraw/zinc/52/56/05/1073525605.db2.gz	AHOKBPIBXRZEOK-QFIPXVFZSA-N	1	1	416.522	1.840	20	0		HDADMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1	ZINC001299282136	1073526269	/nfs/dbraw/zinc/52/62/69/1073526269.db2.gz	YTLMTQWEEZGRSY-QGZVFWFLSA-N	1	1	417.531	1.650	20	0		HDADMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1	ZINC001299282136	1073526279	/nfs/dbraw/zinc/52/62/79/1073526279.db2.gz	YTLMTQWEEZGRSY-QGZVFWFLSA-N	1	1	417.531	1.650	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[C@H]1O	ZINC000509114611	1073573375	/nfs/dbraw/zinc/57/33/75/1073573375.db2.gz	WYMQCDUTDODMCQ-TZMCWYRMSA-N	1	1	402.358	1.467	20	0		HDADMO
CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673669207	1073622533	/nfs/dbraw/zinc/62/25/33/1073622533.db2.gz	FKUJFDZVZSSGKR-OAQYLSRUSA-N	1	1	400.567	1.888	20	0		HDADMO
CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673669207	1073622537	/nfs/dbraw/zinc/62/25/37/1073622537.db2.gz	FKUJFDZVZSSGKR-OAQYLSRUSA-N	1	1	400.567	1.888	20	0		HDADMO
CN1CC[NH+](Cc2ccc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)cc2)CC1	ZINC000673673197	1073628688	/nfs/dbraw/zinc/62/86/88/1073628688.db2.gz	RTZPQNSRACXGFR-UHFFFAOYSA-N	1	1	414.531	1.284	20	0		HDADMO
O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673679326	1073632859	/nfs/dbraw/zinc/63/28/59/1073632859.db2.gz	YBJVXUOBXLYXES-TZIWHRDSSA-N	1	1	408.502	1.842	20	0		HDADMO
O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)[C@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673679326	1073632866	/nfs/dbraw/zinc/63/28/66/1073632866.db2.gz	YBJVXUOBXLYXES-TZIWHRDSSA-N	1	1	408.502	1.842	20	0		HDADMO
Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1S(N)(=O)=O	ZINC000673684432	1073639030	/nfs/dbraw/zinc/63/90/30/1073639030.db2.gz	QZBRRQDBCSOFGT-HXUWFJFHSA-N	1	1	403.504	1.009	20	0		HDADMO
CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1	ZINC000673706157	1073646101	/nfs/dbraw/zinc/64/61/01/1073646101.db2.gz	DOOVPDDADNDHOP-KRWDZBQOSA-N	1	1	403.527	1.116	20	0		HDADMO
C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)COCc1ccccc1	ZINC000671422281	1073672322	/nfs/dbraw/zinc/67/23/22/1073672322.db2.gz	LFPUMIGPTLVLAE-TZIWHRDSSA-N	1	1	416.566	1.194	20	0		HDADMO
CC(=O)N1CCC([N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)Cc2cncs2)CC1	ZINC000429115715	1073677042	/nfs/dbraw/zinc/67/70/42/1073677042.db2.gz	PCWUQMGBRLTKRN-UHFFFAOYSA-N	1	1	419.551	1.821	20	0		HDADMO
COC(=O)C[C@](C)(NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccn1	ZINC000509129192	1073680125	/nfs/dbraw/zinc/68/01/25/1073680125.db2.gz	UYHSBIWFQDKFBM-QHCPKHFHSA-N	1	1	410.518	1.794	20	0		HDADMO
CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)C1=O	ZINC000946691081	1073688383	/nfs/dbraw/zinc/68/83/83/1073688383.db2.gz	XKRDMSCMJLINCW-FWBJLSCPSA-N	1	1	401.551	1.590	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N1CCN(c2cnccn2)CC1	ZINC000673755841	1073691303	/nfs/dbraw/zinc/69/13/03/1073691303.db2.gz	VUVNNKHMZIDJLH-FQEVSTJZSA-N	1	1	408.550	1.722	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000509134216	1073692309	/nfs/dbraw/zinc/69/23/09/1073692309.db2.gz	CGEWWKWXAXQYJF-TZIWHRDSSA-N	1	1	421.563	1.498	20	0		HDADMO
CSc1nnc(CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)s1	ZINC000429123152	1073698877	/nfs/dbraw/zinc/69/88/77/1073698877.db2.gz	SWRWHDGSNZUAKI-CYBMUJFWSA-N	1	1	407.569	1.665	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000673771928	1073705004	/nfs/dbraw/zinc/70/50/04/1073705004.db2.gz	PFCRSRSLUGUALX-HKUYNNGSSA-N	1	1	408.568	1.716	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1	ZINC000673773672	1073705581	/nfs/dbraw/zinc/70/55/81/1073705581.db2.gz	UTBYHLUGHMIVNU-GOSISDBHSA-N	1	1	422.595	1.964	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000509141927	1073711883	/nfs/dbraw/zinc/71/18/83/1073711883.db2.gz	URAPUGJYHYWSLV-LJQANCHMSA-N	1	1	409.552	1.150	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CCC[N@@H+](CCCc2ccccc2)CC1	ZINC000509141927	1073711892	/nfs/dbraw/zinc/71/18/92/1073711892.db2.gz	URAPUGJYHYWSLV-LJQANCHMSA-N	1	1	409.552	1.150	20	0		HDADMO
C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C[NH+]1CCOCC1	ZINC000509144494	1073719901	/nfs/dbraw/zinc/71/99/01/1073719901.db2.gz	YSQQIECZMRLMHH-LJHODMEESA-N	1	1	408.930	1.879	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673786484	1073731339	/nfs/dbraw/zinc/73/13/39/1073731339.db2.gz	LEWHNLWOIDSTPN-KRWDZBQOSA-N	1	1	412.465	1.986	20	0		HDADMO
CN(C)c1nc(CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cs1	ZINC000673792174	1073737779	/nfs/dbraw/zinc/73/77/79/1073737779.db2.gz	WGYDSUCJHJRNBF-MRXNPFEDSA-N	1	1	402.524	1.981	20	0		HDADMO
CN(C)c1nc(CNC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cs1	ZINC000673792174	1073737786	/nfs/dbraw/zinc/73/77/86/1073737786.db2.gz	WGYDSUCJHJRNBF-MRXNPFEDSA-N	1	1	402.524	1.981	20	0		HDADMO
CN(CCCNC(=O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)S(C)(=O)=O	ZINC000429134878	1073741996	/nfs/dbraw/zinc/74/19/96/1073741996.db2.gz	LLEOVCKXQIBOOK-INIZCTEOSA-N	1	1	420.000	1.904	20	0		HDADMO
CN(CCCNC(=O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)S(C)(=O)=O	ZINC000429134878	1073742001	/nfs/dbraw/zinc/74/20/01/1073742001.db2.gz	LLEOVCKXQIBOOK-INIZCTEOSA-N	1	1	420.000	1.904	20	0		HDADMO
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000673810497	1073754019	/nfs/dbraw/zinc/75/40/19/1073754019.db2.gz	RCEZOIAFTLFTNR-QGZVFWFLSA-N	1	1	408.524	1.456	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CC[N@@H+]1CCO	ZINC000429140047	1073755150	/nfs/dbraw/zinc/75/51/50/1073755150.db2.gz	HNJJDRSXUSGRLU-IVKJLDKCSA-N	1	1	405.568	2.536	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CC[N@H+]1CCO	ZINC000429140047	1073755153	/nfs/dbraw/zinc/75/51/53/1073755153.db2.gz	HNJJDRSXUSGRLU-IVKJLDKCSA-N	1	1	405.568	2.536	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1	ZINC000429145468	1073780820	/nfs/dbraw/zinc/78/08/20/1073780820.db2.gz	WACVAKQBTPKURW-IHWFROFDSA-N	1	1	420.579	1.763	20	0		HDADMO
CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000140768638	1073797959	/nfs/dbraw/zinc/79/79/59/1073797959.db2.gz	WZHJSVAEZHFWIU-HNNXBMFYSA-N	1	1	413.540	1.950	20	0		HDADMO
CCOC(=O)[C@H](NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1	ZINC000543489025	1073802179	/nfs/dbraw/zinc/80/21/79/1073802179.db2.gz	LHOGADQZBBBKTD-TZIWHRDSSA-N	1	1	403.523	1.279	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)c2cccs2)CC1	ZINC000673839356	1073803277	/nfs/dbraw/zinc/80/32/77/1073803277.db2.gz	ZXIUTFFVYCFITR-IRXDYDNUSA-N	1	1	400.552	1.612	20	0		HDADMO
COCCCS(=O)(=O)NCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000673855050	1073823585	/nfs/dbraw/zinc/82/35/85/1073823585.db2.gz	ATKNLSFEKCFVAC-UHFFFAOYSA-N	1	1	423.501	1.779	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c(OC)c1	ZINC000029630628	1073845005	/nfs/dbraw/zinc/84/50/05/1073845005.db2.gz	PRXZEHUQUCDNQW-LJQANCHMSA-N	1	1	416.474	1.749	20	0		HDADMO
CCCNC(=O)CN(C)C(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000029640015	1073848025	/nfs/dbraw/zinc/84/80/25/1073848025.db2.gz	KBUZXULXEZTXCX-UHFFFAOYSA-N	1	1	414.472	1.808	20	0		HDADMO
CON(C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1	ZINC000766040618	1073854017	/nfs/dbraw/zinc/85/40/17/1073854017.db2.gz	GTYZEOKHXOSYEU-QGZVFWFLSA-N	1	1	403.483	1.090	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1	ZINC000673883555	1073854418	/nfs/dbraw/zinc/85/44/18/1073854418.db2.gz	KWQHPRXGQXQGKE-OAQYLSRUSA-N	1	1	414.550	1.992	20	0		HDADMO
CN(C)c1nc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cs1	ZINC000673882197	1073854662	/nfs/dbraw/zinc/85/46/62/1073854662.db2.gz	YAKPYAUCMZUSEY-SJLPKXTDSA-N	1	1	403.552	1.891	20	0		HDADMO
CCS(=O)(=O)c1cccc(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)c1	ZINC000466549434	1073856769	/nfs/dbraw/zinc/85/67/69/1073856769.db2.gz	BDKZMUQWFKSPAM-UHFFFAOYSA-N	1	1	401.492	1.758	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1	ZINC000673884349	1073856831	/nfs/dbraw/zinc/85/68/31/1073856831.db2.gz	XGAAJYVJIVBBTJ-PMACEKPBSA-N	1	1	400.523	1.682	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1	ZINC000673913732	1073880619	/nfs/dbraw/zinc/88/06/19/1073880619.db2.gz	RZJZBUBZLKPAJD-KXBFYZLASA-N	1	1	402.495	1.593	20	0		HDADMO
COC[C@H](C)NC(=O)NC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000029850837	1073884065	/nfs/dbraw/zinc/88/40/65/1073884065.db2.gz	CJFDHAPTAKRQPP-AWEZNQCLSA-N	1	1	416.444	1.684	20	0		HDADMO
COc1ccc(CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1S(N)(=O)=O	ZINC000673920937	1073892801	/nfs/dbraw/zinc/89/28/01/1073892801.db2.gz	VZLWFGIWQMEGTK-UHFFFAOYSA-N	1	1	418.519	1.579	20	0		HDADMO
Cc1c([C@@H](C)[NH2+]CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cnn1C	ZINC000543514918	1073952446	/nfs/dbraw/zinc/95/24/46/1073952446.db2.gz	NDSPXWLDIIKKLG-HIFRSBDPSA-N	1	1	410.565	1.657	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccn(C(C)C)n2)C3)CC[N@H+]1C	ZINC001005014498	1073965934	/nfs/dbraw/zinc/96/59/34/1073965934.db2.gz	LHGKJMPSNBZGQB-IVDHNXQLSA-N	1	1	401.555	1.985	20	0		HDADMO
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000509186712	1074001550	/nfs/dbraw/zinc/00/15/50/1074001550.db2.gz	NNEMSECZMWGPOC-HNNXBMFYSA-N	1	1	419.469	1.941	20	0		HDADMO
C[C@]1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO[C@@H]1C1CC1	ZINC000466581605	1074019210	/nfs/dbraw/zinc/01/92/10/1074019210.db2.gz	OHBJJQACEVQKMI-WIYYLYMNSA-N	1	1	402.543	1.493	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1	ZINC000058504061	1074028898	/nfs/dbraw/zinc/02/88/98/1074028898.db2.gz	SYECTRGXRIOBRH-UHFFFAOYSA-N	1	1	414.510	1.467	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1	ZINC000058504061	1074028907	/nfs/dbraw/zinc/02/89/07/1074028907.db2.gz	SYECTRGXRIOBRH-UHFFFAOYSA-N	1	1	414.510	1.467	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)[N@H+]1CCCC[C@H]1C	ZINC000543533355	1074029123	/nfs/dbraw/zinc/02/91/23/1074029123.db2.gz	UBJWUWHHCLRYGK-CABCVRRESA-N	1	1	422.551	1.445	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@@H]2C1	ZINC000466584162	1074031474	/nfs/dbraw/zinc/03/14/74/1074031474.db2.gz	HHCBJDGDLXNCHJ-HZPDHXFCSA-N	1	1	411.428	1.699	20	0		HDADMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000466589066	1074040765	/nfs/dbraw/zinc/04/07/65/1074040765.db2.gz	VQFDHECIXUYIKD-JXFKEZNVSA-N	1	1	420.579	1.763	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1	ZINC000674031963	1074092069	/nfs/dbraw/zinc/09/20/69/1074092069.db2.gz	GGCPUJBNJXHPHQ-UHFFFAOYSA-N	1	1	422.526	1.806	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C[C@@H]1C	ZINC000543556577	1074096037	/nfs/dbraw/zinc/09/60/37/1074096037.db2.gz	FSQAXMPAKAKGFZ-JKSUJKDBSA-N	1	1	416.522	1.492	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C)[nH]c3=O)C2)cc(OC)c1	ZINC000543560241	1074105167	/nfs/dbraw/zinc/10/51/67/1074105167.db2.gz	ZMBKQABJSYTSBO-HNNXBMFYSA-N	1	1	414.462	1.442	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C)[nH]c3=O)C2)cc(OC)c1	ZINC000543560241	1074105172	/nfs/dbraw/zinc/10/51/72/1074105172.db2.gz	ZMBKQABJSYTSBO-HNNXBMFYSA-N	1	1	414.462	1.442	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)C1	ZINC000543559858	1074107369	/nfs/dbraw/zinc/10/73/69/1074107369.db2.gz	UQSIDEHJYRGDEK-HNNXBMFYSA-N	1	1	414.510	1.340	20	0		HDADMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CCN4CCOC[C@@H]4C3)CC2)cc1	ZINC000543559728	1074107397	/nfs/dbraw/zinc/10/73/97/1074107397.db2.gz	RSOREBFJLQICEX-QFIPXVFZSA-N	1	1	400.567	1.471	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1	ZINC000674041685	1074125254	/nfs/dbraw/zinc/12/52/54/1074125254.db2.gz	HOFHXNUKNAUXFL-UHFFFAOYSA-N	1	1	400.454	1.301	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O	ZINC000509218876	1074170795	/nfs/dbraw/zinc/17/07/95/1074170795.db2.gz	QLKCNFQUMYDBOV-HXUWFJFHSA-N	1	1	416.522	1.668	20	0		HDADMO
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000674079003	1074178212	/nfs/dbraw/zinc/17/82/12/1074178212.db2.gz	UVKPPVFKAMAIEC-GHTZIAJQSA-N	1	1	416.497	1.677	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)nc(C)[nH+]1	ZINC000674132559	1074188410	/nfs/dbraw/zinc/18/84/10/1074188410.db2.gz	BICUUNRDNMFZPW-UHFFFAOYSA-N	1	1	417.535	1.459	20	0		HDADMO
CC[C@@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1nnc2n1CCCCC2	ZINC000674169254	1074201931	/nfs/dbraw/zinc/20/19/31/1074201931.db2.gz	PHHZSAYJOMAIPE-ZWKOTPCHSA-N	1	1	403.575	1.877	20	0		HDADMO
C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000674178063	1074202446	/nfs/dbraw/zinc/20/24/46/1074202446.db2.gz	WBMWQPYUJNVEOY-AOIWGVFYSA-N	1	1	408.568	1.572	20	0		HDADMO
C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000674178063	1074202449	/nfs/dbraw/zinc/20/24/49/1074202449.db2.gz	WBMWQPYUJNVEOY-AOIWGVFYSA-N	1	1	408.568	1.572	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)nc(C)n1	ZINC000674189281	1074203886	/nfs/dbraw/zinc/20/38/86/1074203886.db2.gz	KDIYNPKTIVMGPO-FQEVSTJZSA-N	1	1	415.586	1.484	20	0		HDADMO
Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000674190936	1074204404	/nfs/dbraw/zinc/20/44/04/1074204404.db2.gz	UYORLIDDIZNBQE-KRWDZBQOSA-N	1	1	413.478	1.697	20	0		HDADMO
O=C(CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429223159	1074213969	/nfs/dbraw/zinc/21/39/69/1074213969.db2.gz	QILWSJXNMFSLAP-CJNGLKHVSA-N	1	1	412.494	1.858	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2)CC1	ZINC000674198974	1074214013	/nfs/dbraw/zinc/21/40/13/1074214013.db2.gz	VQAIASQGVUEKSI-KRWDZBQOSA-N	1	1	424.505	1.142	20	0		HDADMO
C[C@@H](c1ccccc1)[C@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000674215724	1074228404	/nfs/dbraw/zinc/22/84/04/1074228404.db2.gz	JGVYHJZXYDZKAY-KXBFYZLASA-N	1	1	412.490	1.406	20	0		HDADMO
O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000674217746	1074229996	/nfs/dbraw/zinc/22/99/96/1074229996.db2.gz	HEOQPSSEGRVVEW-MJGOQNOKSA-N	1	1	409.490	1.292	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1	ZINC001545674890	1074232004	/nfs/dbraw/zinc/23/20/04/1074232004.db2.gz	MYXXCGAPSUXWGB-AEFFLSMTSA-N	1	1	420.583	1.618	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1	ZINC000674225959	1074233637	/nfs/dbraw/zinc/23/36/37/1074233637.db2.gz	NVEZLLGMGLXSRS-KUHUBIRLSA-N	1	1	412.465	1.890	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1	ZINC000509223100	1074251493	/nfs/dbraw/zinc/25/14/93/1074251493.db2.gz	JHSQRYPFRJLIAS-INIZCTEOSA-N	1	1	417.597	1.727	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1	ZINC000674274352	1074254350	/nfs/dbraw/zinc/25/43/50/1074254350.db2.gz	NYOZUZFMOIUCGV-KRWDZBQOSA-N	1	1	407.509	1.965	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1	ZINC000674274352	1074254355	/nfs/dbraw/zinc/25/43/55/1074254355.db2.gz	NYOZUZFMOIUCGV-KRWDZBQOSA-N	1	1	407.509	1.965	20	0		HDADMO
COC1CC[NH+](CCNC(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1	ZINC000674325804	1074275167	/nfs/dbraw/zinc/27/51/67/1074275167.db2.gz	HGPCCWCGNXSCEV-UHFFFAOYSA-N	1	1	403.571	1.214	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2)CC1	ZINC000674317550	1074279518	/nfs/dbraw/zinc/27/95/18/1074279518.db2.gz	VPCNJHSEWWRWGQ-LJQANCHMSA-N	1	1	413.522	1.739	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1	ZINC000674333562	1074287472	/nfs/dbraw/zinc/28/74/72/1074287472.db2.gz	XWBFDJFMQZIRKK-NEWSRXKRSA-N	1	1	408.568	1.763	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C[C@@H](O)CN1CCOCC1	ZINC000674369084	1074298208	/nfs/dbraw/zinc/29/82/08/1074298208.db2.gz	WVHSCUOOMXCZGA-VQTJNVASSA-N	1	1	419.566	1.705	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1=O	ZINC000674425296	1074327158	/nfs/dbraw/zinc/32/71/58/1074327158.db2.gz	YVQMHOCGJAIHTD-XMSQKQJNSA-N	1	1	413.522	1.455	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000674427691	1074331047	/nfs/dbraw/zinc/33/10/47/1074331047.db2.gz	QWZZPYVPVOOCMM-FGSXEWAUSA-N	1	1	413.522	1.671	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1	ZINC000674434908	1074333343	/nfs/dbraw/zinc/33/33/43/1074333343.db2.gz	NOUSPXAXMJCOCH-RYUDHWBXSA-N	1	1	418.382	1.921	20	0		HDADMO
C[C@H](CCNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1	ZINC000674435409	1074333636	/nfs/dbraw/zinc/33/36/36/1074333636.db2.gz	REUKCKQOKXOGSL-NRJQMVOHSA-N	1	1	415.538	1.917	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1=O	ZINC000674437909	1074335477	/nfs/dbraw/zinc/33/54/77/1074335477.db2.gz	FKPMTGJBOVXVLR-AVRDEDQJSA-N	1	1	413.522	1.624	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ccn1C(C)C	ZINC001005282228	1074338402	/nfs/dbraw/zinc/33/84/02/1074338402.db2.gz	XSOGSBLSHDJZJA-TVFZMDHNSA-N	1	1	402.539	1.958	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ccn1C(C)C	ZINC001005282228	1074338410	/nfs/dbraw/zinc/33/84/10/1074338410.db2.gz	XSOGSBLSHDJZJA-TVFZMDHNSA-N	1	1	402.539	1.958	20	0		HDADMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCCN(C(N)=O)CC2)cn1	ZINC000509226739	1074365927	/nfs/dbraw/zinc/36/59/27/1074365927.db2.gz	OOPQCTOCBIWMHY-UXHICEINSA-N	1	1	410.522	1.249	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000674477798	1074375408	/nfs/dbraw/zinc/37/54/08/1074375408.db2.gz	JLEJCXJYSVQLPU-IBGZPJMESA-N	1	1	414.506	1.549	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2N)CC[N@H+]1Cc1ccccc1	ZINC000670473584	1074381726	/nfs/dbraw/zinc/38/17/26/1074381726.db2.gz	PAMHNFNWKHVKEF-WMZOPIPTSA-N	1	1	416.547	1.716	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@H](C)NC(=O)c3cccc(C)c3)C[C@H]2C)CC1	ZINC000674546367	1074427337	/nfs/dbraw/zinc/42/73/37/1074427337.db2.gz	BXQGSRSNNQPJAU-FUHIMQAGSA-N	1	1	400.523	1.124	20	0		HDADMO
COc1cc(OC)cc(N2C[C@@H](C(=O)NCCCN3CCC[N@@H+](C)CC3)CC2=O)c1	ZINC000674552442	1074434970	/nfs/dbraw/zinc/43/49/70/1074434970.db2.gz	LDFAOQHRQBBBRL-KRWDZBQOSA-N	1	1	418.538	1.201	20	0		HDADMO
COc1cc(OC)cc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCCN(C)CC3)CC2=O)c1	ZINC000674552442	1074434972	/nfs/dbraw/zinc/43/49/72/1074434972.db2.gz	LDFAOQHRQBBBRL-KRWDZBQOSA-N	1	1	418.538	1.201	20	0		HDADMO
COc1cc(OC)cc(N2C[C@@H](C(=O)NCCC[N@H+]3CCCN(C)CC3)CC2=O)c1	ZINC000674552442	1074434978	/nfs/dbraw/zinc/43/49/78/1074434978.db2.gz	LDFAOQHRQBBBRL-KRWDZBQOSA-N	1	1	418.538	1.201	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1nc(C(F)(F)F)cs1	ZINC000674582090	1074460691	/nfs/dbraw/zinc/46/06/91/1074460691.db2.gz	FQAZEKBADFMJDL-QWRGUYRKSA-N	1	1	422.473	1.643	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1nc(C(F)(F)F)cs1	ZINC000674582090	1074460694	/nfs/dbraw/zinc/46/06/94/1074460694.db2.gz	FQAZEKBADFMJDL-QWRGUYRKSA-N	1	1	422.473	1.643	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O	ZINC000674584611	1074466243	/nfs/dbraw/zinc/46/62/43/1074466243.db2.gz	SMHUWMQYNSDCMH-SVMVAKDDSA-N	1	1	414.506	1.114	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O	ZINC000674584611	1074466245	/nfs/dbraw/zinc/46/62/45/1074466245.db2.gz	SMHUWMQYNSDCMH-SVMVAKDDSA-N	1	1	414.506	1.114	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC3(CO)CCCCC3)cc2)CC1	ZINC000674612960	1074484300	/nfs/dbraw/zinc/48/43/00/1074484300.db2.gz	PXRLAFHMSVNNNP-UHFFFAOYSA-N	1	1	402.539	1.816	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cnn(-c4ccccn4)c3N)n2)c1C	ZINC000509231250	1074492207	/nfs/dbraw/zinc/49/22/07/1074492207.db2.gz	BAZZBECEVPCZLQ-UHFFFAOYSA-N	1	1	419.449	1.762	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)[C@@H](C)C1	ZINC000674630378	1074493642	/nfs/dbraw/zinc/49/36/42/1074493642.db2.gz	BLFKZMKPMDDATC-WMZOPIPTSA-N	1	1	405.543	1.468	20	0		HDADMO
CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1ccccc1C	ZINC000674631313	1074494451	/nfs/dbraw/zinc/49/44/51/1074494451.db2.gz	NMOWOCITDRRVRU-UXHICEINSA-N	1	1	404.555	1.858	20	0		HDADMO
C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674668306	1074518819	/nfs/dbraw/zinc/51/88/19/1074518819.db2.gz	XPPNICPOZVMTCB-APWZRJJASA-N	1	1	407.580	1.821	20	0		HDADMO
C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674668306	1074518828	/nfs/dbraw/zinc/51/88/28/1074518828.db2.gz	XPPNICPOZVMTCB-APWZRJJASA-N	1	1	407.580	1.821	20	0		HDADMO
C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674670571	1074520216	/nfs/dbraw/zinc/52/02/16/1074520216.db2.gz	XEZSUMYWMGJFRH-KBXCAEBGSA-N	1	1	407.536	1.134	20	0		HDADMO
C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1	ZINC001128786968	1074526428	/nfs/dbraw/zinc/52/64/28/1074526428.db2.gz	ZYQDUEQKWYFGDR-GOEBONIOSA-N	1	1	413.565	1.802	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000674699983	1074528660	/nfs/dbraw/zinc/52/86/60/1074528660.db2.gz	XWGADZKVRSTVOH-QGZVFWFLSA-N	1	1	420.554	1.940	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000674699983	1074528669	/nfs/dbraw/zinc/52/86/69/1074528669.db2.gz	XWGADZKVRSTVOH-QGZVFWFLSA-N	1	1	420.554	1.940	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1	ZINC000674764892	1074559554	/nfs/dbraw/zinc/55/95/54/1074559554.db2.gz	MGLUFQGVQHTWSS-GOSISDBHSA-N	1	1	419.489	1.629	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3c3ncccn3)C2)cc(OC)c1	ZINC000674839027	1074585469	/nfs/dbraw/zinc/58/54/69/1074585469.db2.gz	LOLCYWPJSOVJTF-YLJYHZDGSA-N	1	1	411.506	1.853	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3c3ncccn3)C2)cc(OC)c1	ZINC000674839027	1074585477	/nfs/dbraw/zinc/58/54/77/1074585477.db2.gz	LOLCYWPJSOVJTF-YLJYHZDGSA-N	1	1	411.506	1.853	20	0		HDADMO
CCCCOc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000674830710	1074587470	/nfs/dbraw/zinc/58/74/70/1074587470.db2.gz	SSGFVIYKRJCDAM-KBXCAEBGSA-N	1	1	411.930	1.970	20	0		HDADMO
CCCCOc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000674830710	1074587474	/nfs/dbraw/zinc/58/74/74/1074587474.db2.gz	SSGFVIYKRJCDAM-KBXCAEBGSA-N	1	1	411.930	1.970	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)no1	ZINC000674895161	1074611022	/nfs/dbraw/zinc/61/10/22/1074611022.db2.gz	ZYONREQEWDNTHV-CQSZACIVSA-N	1	1	402.451	1.583	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)no1	ZINC000674895161	1074611024	/nfs/dbraw/zinc/61/10/24/1074611024.db2.gz	ZYONREQEWDNTHV-CQSZACIVSA-N	1	1	402.451	1.583	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)c2)CCO1	ZINC000674921256	1074622512	/nfs/dbraw/zinc/62/25/12/1074622512.db2.gz	ZFMOPFVUXMBMMR-UIFIKXQLSA-N	1	1	403.523	1.997	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)c2)CCO1	ZINC000674921256	1074622515	/nfs/dbraw/zinc/62/25/15/1074622515.db2.gz	ZFMOPFVUXMBMMR-UIFIKXQLSA-N	1	1	403.523	1.997	20	0		HDADMO
C[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000674928128	1074625486	/nfs/dbraw/zinc/62/54/86/1074625486.db2.gz	VNKAHZAYZNZCTN-WJMWBRGCSA-N	1	1	403.523	1.865	20	0		HDADMO
C[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000674928128	1074625491	/nfs/dbraw/zinc/62/54/91/1074625491.db2.gz	VNKAHZAYZNZCTN-WJMWBRGCSA-N	1	1	403.523	1.865	20	0		HDADMO
C[C@H](CNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)[NH+]1CCN(c2ccccc2)CC1	ZINC000674917000	1074627587	/nfs/dbraw/zinc/62/75/87/1074627587.db2.gz	SYYKAPPOLRZEMG-HLAWJBBLSA-N	1	1	402.539	1.787	20	0		HDADMO
Cc1c(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674948378	1074634738	/nfs/dbraw/zinc/63/47/38/1074634738.db2.gz	TZBSFHGGHQXJMD-PMACEKPBSA-N	1	1	411.506	1.584	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCC(OCCCO)CC1	ZINC000674975671	1074649420	/nfs/dbraw/zinc/64/94/20/1074649420.db2.gz	MVTGRJOUQUJUPO-UHFFFAOYSA-N	1	1	405.543	1.167	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1	ZINC000674971725	1074654867	/nfs/dbraw/zinc/65/48/67/1074654867.db2.gz	HOOHROQKZZYFAH-HXUWFJFHSA-N	1	1	415.582	1.545	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(OCCCO)CC2)CC1	ZINC000674972869	1074655887	/nfs/dbraw/zinc/65/58/87/1074655887.db2.gz	XALVNICMUQCFED-UHFFFAOYSA-N	1	1	418.582	1.897	20	0		HDADMO
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1	ZINC000674981017	1074657722	/nfs/dbraw/zinc/65/77/22/1074657722.db2.gz	WRONMHNXRVWMBX-XLIONFOSSA-N	1	1	412.538	1.803	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(OCCCO)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000674982412	1074658467	/nfs/dbraw/zinc/65/84/67/1074658467.db2.gz	CPMKLSOMYJZJES-NQIIRXRSSA-N	1	1	405.539	1.849	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(OCCCO)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000674982412	1074658470	/nfs/dbraw/zinc/65/84/70/1074658470.db2.gz	CPMKLSOMYJZJES-NQIIRXRSSA-N	1	1	405.539	1.849	20	0		HDADMO
C[C@H](NC(=O)N1CCC(OCCCO)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000674982411	1074658482	/nfs/dbraw/zinc/65/84/82/1074658482.db2.gz	CPMKLSOMYJZJES-GHTZIAJQSA-N	1	1	405.539	1.849	20	0		HDADMO
C[C@H](NC(=O)N1CCC(OCCCO)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000674982411	1074658487	/nfs/dbraw/zinc/65/84/87/1074658487.db2.gz	CPMKLSOMYJZJES-GHTZIAJQSA-N	1	1	405.539	1.849	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NC[C@H]2CCCS2)cc1	ZINC000674983428	1074658974	/nfs/dbraw/zinc/65/89/74/1074658974.db2.gz	UDDOMDXEYFMMHJ-GOSISDBHSA-N	1	1	405.568	1.914	20	0		HDADMO
O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1	ZINC000674997878	1074674588	/nfs/dbraw/zinc/67/45/88/1074674588.db2.gz	RLHKTBTZQGPOPQ-RTWAWAEBSA-N	1	1	414.550	1.726	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O	ZINC000675002468	1074683333	/nfs/dbraw/zinc/68/33/33/1074683333.db2.gz	FDTZKHHKHPNGQH-MSOLQXFVSA-N	1	1	415.538	1.222	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)cc1)[NH+]1CCOCC1	ZINC000675007408	1074687165	/nfs/dbraw/zinc/68/71/65/1074687165.db2.gz	QYXYWESVNCNBBZ-QGZVFWFLSA-N	1	1	419.522	1.408	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2	ZINC000675095807	1074707348	/nfs/dbraw/zinc/70/73/48/1074707348.db2.gz	ZNJXJHFWEHPRLW-RTBURBONSA-N	1	1	412.538	1.951	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O	ZINC000675095522	1074707921	/nfs/dbraw/zinc/70/79/21/1074707921.db2.gz	QEWAQGVMYKXOOX-RTBURBONSA-N	1	1	413.522	1.577	20	0		HDADMO
CC[C@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)[N@H+]1CCc2ccccc2C1	ZINC000675088035	1074711222	/nfs/dbraw/zinc/71/12/22/1074711222.db2.gz	VWFZZSUBPAZJOU-RTBURBONSA-N	1	1	413.522	1.501	20	0		HDADMO
CC[C@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)[N@H+]1CCc2ccccc2C1	ZINC000675088032	1074711250	/nfs/dbraw/zinc/71/12/50/1074711250.db2.gz	VWFZZSUBPAZJOU-MOPGFXCFSA-N	1	1	413.522	1.501	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCc3nn[nH]c3C2)c1	ZINC000429314137	1074712296	/nfs/dbraw/zinc/71/22/96/1074712296.db2.gz	CPQUCJPIVCMJCV-UHFFFAOYSA-N	1	1	412.903	1.095	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000675091526	1074714074	/nfs/dbraw/zinc/71/40/74/1074714074.db2.gz	SDCQGXPCLGHYAL-OAQYLSRUSA-N	1	1	422.529	1.260	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4C)c(F)c3)CCN2C1=O	ZINC000675093446	1074716680	/nfs/dbraw/zinc/71/66/80/1074716680.db2.gz	MYFBGSXYZHSHPY-QGZVFWFLSA-N	1	1	414.441	1.498	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CC[C@@H](CO)CC3)c2)C1	ZINC000675100169	1074717634	/nfs/dbraw/zinc/71/76/34/1074717634.db2.gz	YQYNBNYOUTURQC-AHRSYUTCSA-N	1	1	402.539	1.734	20	0		HDADMO
COCCNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000675112713	1074717761	/nfs/dbraw/zinc/71/77/61/1074717761.db2.gz	SLOZODRAYHMGDI-XLIONFOSSA-N	1	1	402.539	1.834	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1	ZINC000675101828	1074718409	/nfs/dbraw/zinc/71/84/09/1074718409.db2.gz	APXAGMSDHTZARH-HOTGVXAUSA-N	1	1	406.962	1.781	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1	ZINC000675101828	1074718419	/nfs/dbraw/zinc/71/84/19/1074718419.db2.gz	APXAGMSDHTZARH-HOTGVXAUSA-N	1	1	406.962	1.781	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1	ZINC000435151737	1074720947	/nfs/dbraw/zinc/72/09/47/1074720947.db2.gz	LIRIDOUOTHILKR-AWEZNQCLSA-N	1	1	403.508	2.382	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1	ZINC000435151737	1074720955	/nfs/dbraw/zinc/72/09/55/1074720955.db2.gz	LIRIDOUOTHILKR-AWEZNQCLSA-N	1	1	403.508	2.382	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)nn1-c1ccccc1Cl	ZINC000551693377	1074727060	/nfs/dbraw/zinc/72/70/60/1074727060.db2.gz	RYTUOUHOFREAMG-HXUWFJFHSA-N	1	1	401.898	2.327	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C[N@H+]1Cc1ccccc1	ZINC000675126846	1074731244	/nfs/dbraw/zinc/73/12/44/1074731244.db2.gz	PIVCMNYJMVODKQ-RHSMWYFYSA-N	1	1	408.458	1.735	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[N@H+]1Cc1ccccc1	ZINC000675126696	1074731545	/nfs/dbraw/zinc/73/15/45/1074731545.db2.gz	IUGUTIGFVFCGRL-DNVCBOLYSA-N	1	1	406.486	1.690	20	0		HDADMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cccs3)CC2)cc1	ZINC000466664562	1074733136	/nfs/dbraw/zinc/73/31/36/1074733136.db2.gz	FOHCCNLTRDEPCF-UHFFFAOYSA-N	1	1	415.519	1.536	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nn1-c1ccc(Cl)cc1Cl	ZINC000427874462	1074734643	/nfs/dbraw/zinc/73/46/43/1074734643.db2.gz	HJNGVSBXOPXXJE-BETUJISGSA-N	1	1	422.316	2.446	20	0		HDADMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CC1	ZINC000564172041	1074736914	/nfs/dbraw/zinc/73/69/14/1074736914.db2.gz	AGBKJIAPOLELNC-CYBMUJFWSA-N	1	1	421.448	2.560	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc([C@@H](C)[NH+]4CCOCC4)cc3)CCN2C1=O	ZINC000675140145	1074740446	/nfs/dbraw/zinc/74/04/46/1074740446.db2.gz	HJVUMQCSOLPTIQ-CRAIPNDOSA-N	1	1	415.494	1.580	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)nn1-c1cccc(Cl)c1	ZINC000521680376	1074743695	/nfs/dbraw/zinc/74/36/95/1074743695.db2.gz	RFFMOMINBVFPIK-UHFFFAOYSA-N	1	1	420.945	1.772	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)nn1-c1cccc(Cl)c1	ZINC000521680376	1074743700	/nfs/dbraw/zinc/74/37/00/1074743700.db2.gz	RFFMOMINBVFPIK-UHFFFAOYSA-N	1	1	420.945	1.772	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O	ZINC000670496614	1074757321	/nfs/dbraw/zinc/75/73/21/1074757321.db2.gz	VFFIRAQMJXBCHE-CYBMUJFWSA-N	1	1	416.349	1.956	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@H+]1CC(C)(C)O	ZINC000670496614	1074757332	/nfs/dbraw/zinc/75/73/32/1074757332.db2.gz	VFFIRAQMJXBCHE-CYBMUJFWSA-N	1	1	416.349	1.956	20	0		HDADMO
O=C(Nc1ccn(Cc2ccccc2)n1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000675208408	1074757766	/nfs/dbraw/zinc/75/77/66/1074757766.db2.gz	VEWVCULEWZQMJR-LJQANCHMSA-N	1	1	411.506	1.583	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000675219909	1074761990	/nfs/dbraw/zinc/76/19/90/1074761990.db2.gz	SIMGZIMQXKGBCX-LJQANCHMSA-N	1	1	421.563	1.167	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000675250948	1074769465	/nfs/dbraw/zinc/76/94/65/1074769465.db2.gz	ATXDVRGOHLXFRG-SFHVURJKSA-N	1	1	403.508	1.102	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000675250948	1074769471	/nfs/dbraw/zinc/76/94/71/1074769471.db2.gz	ATXDVRGOHLXFRG-SFHVURJKSA-N	1	1	403.508	1.102	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)nn1C1CCCCC1	ZINC000578823119	1074774615	/nfs/dbraw/zinc/77/46/15/1074774615.db2.gz	ICJNVIXNJGUHAF-MRXNPFEDSA-N	1	1	404.559	1.777	20	0		HDADMO
CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccn1	ZINC000429329337	1074781236	/nfs/dbraw/zinc/78/12/36/1074781236.db2.gz	QHSYPANAJUJBNY-OAHLLOKOSA-N	1	1	413.478	1.764	20	0		HDADMO
CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccn1	ZINC000429329337	1074781245	/nfs/dbraw/zinc/78/12/45/1074781245.db2.gz	QHSYPANAJUJBNY-OAHLLOKOSA-N	1	1	413.478	1.764	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675304972	1074793456	/nfs/dbraw/zinc/79/34/56/1074793456.db2.gz	VVFYOUOIUOROEH-WBVHZDCISA-N	1	1	404.898	1.162	20	0		HDADMO
C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H](c2ccsc2)O1	ZINC000675309203	1074796540	/nfs/dbraw/zinc/79/65/40/1074796540.db2.gz	IKIJMOZHFWKHCL-NEWSRXKRSA-N	1	1	408.568	1.626	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1-n1cccn1	ZINC000675310607	1074801548	/nfs/dbraw/zinc/80/15/48/1074801548.db2.gz	WYSDLIQEOGMRFG-RTBURBONSA-N	1	1	412.538	1.639	20	0		HDADMO
C[C@H](C[C@@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000675366877	1074818725	/nfs/dbraw/zinc/81/87/25/1074818725.db2.gz	DTXZGHSGXNKWCL-SJORKVTESA-N	1	1	424.567	1.949	20	0		HDADMO
C[C@H](C[C@@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000675366877	1074818729	/nfs/dbraw/zinc/81/87/29/1074818729.db2.gz	DTXZGHSGXNKWCL-SJORKVTESA-N	1	1	424.567	1.949	20	0		HDADMO
CCn1c(CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)nc2ccccc21	ZINC000785477848	1074819624	/nfs/dbraw/zinc/81/96/24/1074819624.db2.gz	CBYXLQFWQKSCHD-UHFFFAOYSA-N	1	1	415.538	1.489	20	0		HDADMO
COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1	ZINC000670510573	1075094057	/nfs/dbraw/zinc/09/40/57/1075094057.db2.gz	QAVHIMZDBSOICW-DYESRHJHSA-N	1	1	416.566	1.795	20	0		HDADMO
Cc1cc(NC(=O)CC[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)no1	ZINC000467274490	1075095713	/nfs/dbraw/zinc/09/57/13/1075095713.db2.gz	HEDYKUGKFXZPNT-UHFFFAOYSA-N	1	1	404.418	2.394	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)no1	ZINC000480797365	1075114362	/nfs/dbraw/zinc/11/43/62/1075114362.db2.gz	FBHFQTBWUUCRIP-KRWDZBQOSA-N	1	1	403.527	1.720	20	0		HDADMO
CN(CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ncnc2nc[nH]c21	ZINC000429341651	1075122641	/nfs/dbraw/zinc/12/26/41/1075122641.db2.gz	QETDPZZYIPHQGM-QGZVFWFLSA-N	1	1	409.494	1.196	20	0		HDADMO
CN(CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ncnc2[nH]cnc21	ZINC000429341651	1075122644	/nfs/dbraw/zinc/12/26/44/1075122644.db2.gz	QETDPZZYIPHQGM-QGZVFWFLSA-N	1	1	409.494	1.196	20	0		HDADMO
CN(CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ncnc2[nH]cnc21	ZINC000429341651	1075122645	/nfs/dbraw/zinc/12/26/45/1075122645.db2.gz	QETDPZZYIPHQGM-QGZVFWFLSA-N	1	1	409.494	1.196	20	0		HDADMO
O=C(Nc1ccccc1O[C@@H]1CCOC1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000675402012	1075126627	/nfs/dbraw/zinc/12/66/27/1075126627.db2.gz	YAHSCNAHIAYUCX-ZWKOTPCHSA-N	1	1	417.506	1.506	20	0		HDADMO
O=C(CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1	ZINC000509334487	1075136572	/nfs/dbraw/zinc/13/65/72/1075136572.db2.gz	LJYDXFQKDKJHKS-LJQANCHMSA-N	1	1	413.440	1.806	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466677125	1075138093	/nfs/dbraw/zinc/13/80/93/1075138093.db2.gz	CTKYUXKOLYSEDL-QAPCUYQASA-N	1	1	421.501	1.595	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H]3CCn4ccnc4C3)cc2)CC1	ZINC000429344210	1075139900	/nfs/dbraw/zinc/13/99/00/1075139900.db2.gz	ICBTYQHHBYYDRL-IBGZPJMESA-N	1	1	410.522	1.726	20	0		HDADMO
O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000675433369	1075142715	/nfs/dbraw/zinc/14/27/15/1075142715.db2.gz	NKFUQLXMVDYVJI-SUMWQHHRSA-N	1	1	422.888	1.301	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000444520028	1075142738	/nfs/dbraw/zinc/14/27/38/1075142738.db2.gz	OBYQKAQRXLSZGI-IBGZPJMESA-N	1	1	413.522	1.839	20	0		HDADMO
O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000675433511	1075144279	/nfs/dbraw/zinc/14/42/79/1075144279.db2.gz	UQTHVIKLYVZHFE-XNJGSVPQSA-N	1	1	422.888	1.444	20	0		HDADMO
COc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cn1	ZINC000509246427	1075148705	/nfs/dbraw/zinc/14/87/05/1075148705.db2.gz	HJPGLPAARZBLCE-HNNXBMFYSA-N	1	1	404.492	1.588	20	0		HDADMO
COc1ccc(OCCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1	ZINC000670526821	1075148952	/nfs/dbraw/zinc/14/89/52/1075148952.db2.gz	QEYVRTPUBQJAML-UHFFFAOYSA-N	1	1	419.522	1.342	20	0		HDADMO
CC(C)(CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccncc1	ZINC000670526969	1075154025	/nfs/dbraw/zinc/15/40/25/1075154025.db2.gz	VSVAMWPKONHIAD-UHFFFAOYSA-N	1	1	402.539	1.627	20	0		HDADMO
C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)CC[C@@H]2CCCO2)CC1	ZINC000675456400	1075155445	/nfs/dbraw/zinc/15/54/45/1075155445.db2.gz	MYBNVOBBZHTEIN-ICSRJNTNSA-N	1	1	421.563	1.481	20	0		HDADMO
O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000429348410	1075160013	/nfs/dbraw/zinc/16/00/13/1075160013.db2.gz	JSSMICQWHFHXCV-RTBURBONSA-N	1	1	423.517	1.924	20	0		HDADMO
CC[N@H+]1CCC[C@@H](CN(C)Cc2nnnn2CC(F)(F)F)[C@@H]1c1cnn(C)c1	ZINC000429349575	1075162806	/nfs/dbraw/zinc/16/28/06/1075162806.db2.gz	NOKUILDTZOJFJD-XJKSGUPXSA-N	1	1	400.453	1.874	20	0		HDADMO
Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Br)s1	ZINC000675467592	1075166292	/nfs/dbraw/zinc/16/62/92/1075166292.db2.gz	YBBLPCATKMIPPE-ZDUSSCGKSA-N	1	1	402.358	1.955	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C[N@H+]1Cc1ccccc1	ZINC000466681496	1075168068	/nfs/dbraw/zinc/16/80/68/1075168068.db2.gz	GLDMTNFUPVGBAC-MJGOQNOKSA-N	1	1	423.517	1.636	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C	ZINC000472409905	1075171199	/nfs/dbraw/zinc/17/11/99/1075171199.db2.gz	IKDMCVPMSSUEOJ-PKOBYXMFSA-N	1	1	413.522	1.966	20	0		HDADMO
Cc1cc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)nn1-c1ccc(F)cc1F	ZINC000582324605	1075172014	/nfs/dbraw/zinc/17/20/14/1075172014.db2.gz	AUCCAQHAHNLMPE-UHFFFAOYSA-N	1	1	406.437	1.745	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000448296027	1075177302	/nfs/dbraw/zinc/17/73/02/1075177302.db2.gz	DZXGUSSAPGXMKM-CVEARBPZSA-N	1	1	411.428	2.450	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)cc1)[NH+]1CCOCC1	ZINC000675516942	1075182120	/nfs/dbraw/zinc/18/21/20/1075182120.db2.gz	ITBDTSRJMLMMDB-HNNXBMFYSA-N	1	1	423.535	1.054	20	0		HDADMO
CC[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500974	1075185578	/nfs/dbraw/zinc/18/55/78/1075185578.db2.gz	RKBJDMNLVYFQPW-PMACEKPBSA-N	1	1	423.579	1.885	20	0		HDADMO
CC[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500974	1075185582	/nfs/dbraw/zinc/18/55/82/1075185582.db2.gz	RKBJDMNLVYFQPW-PMACEKPBSA-N	1	1	423.579	1.885	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn([C@H](C)COC)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446847163	1075188181	/nfs/dbraw/zinc/18/81/81/1075188181.db2.gz	JGJWAHSAAGFYHU-IEBWSBKVSA-N	1	1	413.522	2.152	20	0		HDADMO
C[NH+](C)C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)c2ccccc2O1	ZINC000675512432	1075190255	/nfs/dbraw/zinc/19/02/55/1075190255.db2.gz	OHAGUEUMQKAQGF-IBGZPJMESA-N	1	1	409.534	1.950	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466685141	1075201304	/nfs/dbraw/zinc/20/13/04/1075201304.db2.gz	WBEOGFZTYONOPX-QAPCUYQASA-N	1	1	415.515	1.808	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1	ZINC000675547527	1075205861	/nfs/dbraw/zinc/20/58/61/1075205861.db2.gz	VPGSAFIRKHNROH-BWPNAZKDSA-N	1	1	422.595	1.866	20	0		HDADMO
C[C@H]1CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC[N@H+](C2CCC2)C1	ZINC000429360405	1075209903	/nfs/dbraw/zinc/20/99/03/1075209903.db2.gz	ANDTYRUKXGUAAK-FXAWDEMLSA-N	1	1	411.612	1.751	20	0		HDADMO
CN(C(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675576401	1075210024	/nfs/dbraw/zinc/21/00/24/1075210024.db2.gz	KYOOOPNZRIAUFO-QGZVFWFLSA-N	1	1	420.510	1.889	20	0		HDADMO
O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675582242	1075212588	/nfs/dbraw/zinc/21/25/88/1075212588.db2.gz	SMDPWMVEEZGVKC-REWPJTCUSA-N	1	1	414.550	1.714	20	0		HDADMO
C[C@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)N1CC[NH+](C)CC1	ZINC000470190718	1075214200	/nfs/dbraw/zinc/21/42/00/1075214200.db2.gz	PANRVLGQRPYIMI-GFCCVEGCSA-N	1	1	406.478	1.232	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCCc2cn3c(n2)SCC3)c1	ZINC000466687835	1075215283	/nfs/dbraw/zinc/21/52/83/1075215283.db2.gz	AYCMKPQRDWHLKK-QGZVFWFLSA-N	1	1	414.535	1.803	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCCc2cn3c(n2)SCC3)c1	ZINC000466687835	1075215289	/nfs/dbraw/zinc/21/52/89/1075215289.db2.gz	AYCMKPQRDWHLKK-QGZVFWFLSA-N	1	1	414.535	1.803	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[NH+]1CCOCC1	ZINC000675585721	1075215488	/nfs/dbraw/zinc/21/54/88/1075215488.db2.gz	NYKJTHVPNVAFMU-MOPGFXCFSA-N	1	1	421.542	1.254	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)no1	ZINC000497380495	1075220853	/nfs/dbraw/zinc/22/08/53/1075220853.db2.gz	CCNSSZZZRKPPRC-CABCVRRESA-N	1	1	410.540	1.755	20	0		HDADMO
CCOc1ccccc1C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675605086	1075222015	/nfs/dbraw/zinc/22/20/15/1075222015.db2.gz	IFPIGGRSKVNOEX-SFHVURJKSA-N	1	1	402.539	1.442	20	0		HDADMO
CCOc1ccccc1C(=O)NCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675605086	1075222020	/nfs/dbraw/zinc/22/20/20/1075222020.db2.gz	IFPIGGRSKVNOEX-SFHVURJKSA-N	1	1	402.539	1.442	20	0		HDADMO
COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1	ZINC000429364266	1075222647	/nfs/dbraw/zinc/22/26/47/1075222647.db2.gz	FZHCRKKGZBUHDY-UHFFFAOYSA-N	1	1	418.538	1.662	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)no1	ZINC000448200558	1075222680	/nfs/dbraw/zinc/22/26/80/1075222680.db2.gz	FFLUDAAXONQAJQ-YQQAZPJKSA-N	1	1	406.552	2.519	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc21	ZINC000675607416	1075223347	/nfs/dbraw/zinc/22/33/47/1075223347.db2.gz	CSRAVJMTRHYEOT-GOSISDBHSA-N	1	1	401.511	1.954	20	0		HDADMO
O=C(Nc1ccccc1OCC(F)F)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000675588313	1075226089	/nfs/dbraw/zinc/22/60/89/1075226089.db2.gz	YCUDLZSFYXALBW-OAHLLOKOSA-N	1	1	411.449	1.982	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000429363536	1075228264	/nfs/dbraw/zinc/22/82/64/1075228264.db2.gz	PYLAIFQSOJNKMW-QAPCUYQASA-N	1	1	423.583	1.296	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000675590725	1075229290	/nfs/dbraw/zinc/22/92/90/1075229290.db2.gz	ZHRJFFQQHJVLKR-KRWDZBQOSA-N	1	1	417.535	1.449	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000550816077	1075229673	/nfs/dbraw/zinc/22/96/73/1075229673.db2.gz	UEDXHOXSKFEWEO-HNNXBMFYSA-N	1	1	420.311	2.174	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1	ZINC000675591544	1075230166	/nfs/dbraw/zinc/23/01/66/1075230166.db2.gz	JMMAYRXCQIRWNY-CALCHBBNSA-N	1	1	402.543	1.249	20	0		HDADMO
O=C(Nc1ncn(C2CCCCC2)n1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000463965599	1075231091	/nfs/dbraw/zinc/23/10/91/1075231091.db2.gz	RJSOKQYWGWSMJB-GOSISDBHSA-N	1	1	412.494	1.927	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1	ZINC000675595216	1075232735	/nfs/dbraw/zinc/23/27/35/1075232735.db2.gz	KLPGOADGSUNPEH-UXHICEINSA-N	1	1	411.506	1.734	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1	ZINC000445160416	1075234621	/nfs/dbraw/zinc/23/46/21/1075234621.db2.gz	PNUONUBFZDHJIE-APWZRJJASA-N	1	1	401.511	2.369	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466692779	1075238939	/nfs/dbraw/zinc/23/89/39/1075238939.db2.gz	TVPIDJPRAYAXRC-YJBOKZPZSA-N	1	1	410.474	1.268	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@H](c2ccccc2)C1	ZINC000543640958	1075242440	/nfs/dbraw/zinc/24/24/40/1075242440.db2.gz	CCOHJFBYBSFVBS-SFTDATJTSA-N	1	1	401.555	1.091	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@H](c2ccccc2)C1	ZINC000543640958	1075242444	/nfs/dbraw/zinc/24/24/44/1075242444.db2.gz	CCOHJFBYBSFVBS-SFTDATJTSA-N	1	1	401.555	1.091	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@H](c2ccccc2)C1	ZINC000543640958	1075242448	/nfs/dbraw/zinc/24/24/48/1075242448.db2.gz	CCOHJFBYBSFVBS-SFTDATJTSA-N	1	1	401.555	1.091	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCN3CCOC[C@H]3C2)[C@@H](c2ccccc2)C1	ZINC000543640948	1075242509	/nfs/dbraw/zinc/24/25/09/1075242509.db2.gz	CCOHJFBYBSFVBS-NHCUHLMSSA-N	1	1	401.555	1.091	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCN3CCOC[C@H]3C2)[C@@H](c2ccccc2)C1	ZINC000543640948	1075242513	/nfs/dbraw/zinc/24/25/13/1075242513.db2.gz	CCOHJFBYBSFVBS-NHCUHLMSSA-N	1	1	401.555	1.091	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCN3CCOC[C@H]3C2)[C@@H](c2ccccc2)C1	ZINC000543640948	1075242515	/nfs/dbraw/zinc/24/25/15/1075242515.db2.gz	CCOHJFBYBSFVBS-NHCUHLMSSA-N	1	1	401.555	1.091	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1	ZINC000466691327	1075244250	/nfs/dbraw/zinc/24/42/50/1075244250.db2.gz	OACSWSZIQCCFQY-PBHICJAKSA-N	1	1	420.469	1.630	20	0		HDADMO
CCOc1nc(C)ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001005744088	1075244422	/nfs/dbraw/zinc/24/44/22/1075244422.db2.gz	AKQVWOACHZYQAM-RTYCURFASA-N	1	1	400.523	1.991	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000675646260	1075247093	/nfs/dbraw/zinc/24/70/93/1075247093.db2.gz	WISSXOUNENSQJC-RTBURBONSA-N	1	1	424.567	1.178	20	0		HDADMO
CO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Cl	ZINC000675651526	1075247235	/nfs/dbraw/zinc/24/72/35/1075247235.db2.gz	ALDNBFQXSFHSAO-VQIMIIECSA-N	1	1	410.946	1.733	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000675665648	1075252001	/nfs/dbraw/zinc/25/20/01/1075252001.db2.gz	MWTPVWGXLFUHFX-XLIONFOSSA-N	1	1	406.571	1.617	20	0		HDADMO
COc1cc(OC)cc(OCCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000675715346	1075259885	/nfs/dbraw/zinc/25/98/85/1075259885.db2.gz	GVFRMNACFXXNPI-KRWDZBQOSA-N	1	1	406.527	1.504	20	0		HDADMO
O=c1[nH]c2cc(Br)c(S(=O)(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2[nH]1	ZINC000675756041	1075265272	/nfs/dbraw/zinc/26/52/72/1075265272.db2.gz	XHLROTIYFDSRQZ-SNVBAGLBSA-N	1	1	415.313	1.794	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2c3c(nn2C)CCCC3)cc1	ZINC000675781030	1075268282	/nfs/dbraw/zinc/26/82/82/1075268282.db2.gz	FNCSZBYQZJAGBO-UHFFFAOYSA-N	1	1	424.549	1.761	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)CC2	ZINC000675787165	1075271862	/nfs/dbraw/zinc/27/18/62/1075271862.db2.gz	YUNPWRLLWBMAIJ-LJQANCHMSA-N	1	1	415.534	1.969	20	0		HDADMO
C[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC[N@@H+](Cc2ccccc2)C1	ZINC001129063909	1075272291	/nfs/dbraw/zinc/27/22/91/1075272291.db2.gz	LYZHUUGQWHWXLA-INIZCTEOSA-N	1	1	421.501	1.226	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000675806466	1075274011	/nfs/dbraw/zinc/27/40/11/1075274011.db2.gz	HEUGCDMFWPCVGL-GOSISDBHSA-N	1	1	407.559	1.210	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)[C@H]3CCC[C@@H](C)C3)n2)c1C	ZINC000434791900	1075277681	/nfs/dbraw/zinc/27/76/81/1075277681.db2.gz	CEEJEWKRCITYLL-CJNGLKHVSA-N	1	1	414.510	2.322	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC(c2nc3ccccc3[nH]2)C1	ZINC000675829464	1075279631	/nfs/dbraw/zinc/27/96/31/1075279631.db2.gz	XLOXZNPYWPDWLD-LJQANCHMSA-N	1	1	411.506	1.202	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@@H]3CCC[C@@H]3C)n2)c1C	ZINC000440133503	1075279950	/nfs/dbraw/zinc/27/99/50/1075279950.db2.gz	KUBQIUOQTYDXSC-WFASDCNBSA-N	1	1	400.483	1.838	20	0		HDADMO
O=C(Cn1c[nH+]c2c1CCCC2)NCCN1CCN(C(=O)C2CCCCC2)CC1	ZINC000543647537	1075280343	/nfs/dbraw/zinc/28/03/43/1075280343.db2.gz	PGRAUSAGVWTGHF-UHFFFAOYSA-N	1	1	401.555	1.603	20	0		HDADMO
CC[C@@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC[N@H+]1C[C@@H](C)O	ZINC000543651518	1075284239	/nfs/dbraw/zinc/28/42/39/1075284239.db2.gz	IPVDKTYZGDNRJA-HZPDHXFCSA-N	1	1	404.511	1.531	20	0		HDADMO
COC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1	ZINC000466705721	1075284782	/nfs/dbraw/zinc/28/47/82/1075284782.db2.gz	VEUSUJVNZZDLPZ-UHFFFAOYSA-N	1	1	412.446	1.228	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1O	ZINC000429382585	1075284832	/nfs/dbraw/zinc/28/48/32/1075284832.db2.gz	ISJDYENMOMFJJW-QZTJIDSGSA-N	1	1	404.511	1.850	20	0		HDADMO
Cc1c([C@@H](C)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1	ZINC000675885457	1075289189	/nfs/dbraw/zinc/28/91/89/1075289189.db2.gz	BDKADIQWHHMCGU-APWZRJJASA-N	1	1	402.518	1.772	20	0		HDADMO
Cc1c([C@@H](C)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1	ZINC000675885457	1075289192	/nfs/dbraw/zinc/28/91/92/1075289192.db2.gz	BDKADIQWHHMCGU-APWZRJJASA-N	1	1	402.518	1.772	20	0		HDADMO
COC(=O)c1cnoc1CN1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1	ZINC000509373187	1075289741	/nfs/dbraw/zinc/28/97/41/1075289741.db2.gz	OIAJOFSDQHTOAE-UHFFFAOYSA-N	1	1	414.506	1.921	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1	ZINC000675917755	1075291158	/nfs/dbraw/zinc/29/11/58/1075291158.db2.gz	CPLILOUHVJMUIU-QGZVFWFLSA-N	1	1	418.925	1.845	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1=O	ZINC000675911339	1075295425	/nfs/dbraw/zinc/29/54/25/1075295425.db2.gz	TVIWEFWDSVGOOW-QXAKKESOSA-N	1	1	404.555	1.369	20	0		HDADMO
Cc1cc(Cl)nc(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1	ZINC000785482812	1075298981	/nfs/dbraw/zinc/29/89/81/1075298981.db2.gz	WOOCVJDMJXETPS-UHFFFAOYSA-N	1	1	416.909	1.808	20	0		HDADMO
C[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1nc(Cc2ccccc2)no1	ZINC000429384494	1075301713	/nfs/dbraw/zinc/30/17/13/1075301713.db2.gz	WBGPFEBCZBKAQQ-YWZLYKJASA-N	1	1	403.483	1.104	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)[nH+]c1	ZINC000509811233	1075302563	/nfs/dbraw/zinc/30/25/63/1075302563.db2.gz	ZHOVRWQJVFERFA-SFHVURJKSA-N	1	1	416.570	1.967	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)C2)nc(C)[nH+]1	ZINC000731301698	1075302770	/nfs/dbraw/zinc/30/27/70/1075302770.db2.gz	ZXGCFKDEFACXGJ-AWEZNQCLSA-N	1	1	407.496	1.498	20	0		HDADMO
OCC[C@@]1(CNc2cc(NC[C@]3(CCO)CCOC3)c3ccncc3[nH+]2)CCOC1	ZINC000582054376	1075303043	/nfs/dbraw/zinc/30/30/43/1075303043.db2.gz	RTAGTJHMDCFQOB-VXKWHMMOSA-N	1	1	416.522	2.032	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)[C@H]1C(C)C	ZINC000429383974	1075303365	/nfs/dbraw/zinc/30/33/65/1075303365.db2.gz	ZJLWTDYMVPESJT-YWZLYKJASA-N	1	1	405.495	1.423	20	0		HDADMO
CN(C)c1nc2cc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ccc2o1	ZINC000675928626	1075305417	/nfs/dbraw/zinc/30/54/17/1075305417.db2.gz	MVPCZRPCSFQHDL-MRXNPFEDSA-N	1	1	414.510	1.071	20	0		HDADMO
CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1	ZINC000731296790	1075305927	/nfs/dbraw/zinc/30/59/27/1075305927.db2.gz	NERSHSVWQYIGKC-SJORKVTESA-N	1	1	410.540	1.667	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@@H](C)O	ZINC000479139456	1075308563	/nfs/dbraw/zinc/30/85/63/1075308563.db2.gz	AMNCLHXYSOSDOS-KGLIPLIRSA-N	1	1	416.349	1.956	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@H+]1C[C@@H](C)O	ZINC000479139456	1075308575	/nfs/dbraw/zinc/30/85/75/1075308575.db2.gz	AMNCLHXYSOSDOS-KGLIPLIRSA-N	1	1	416.349	1.956	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1	ZINC000675954349	1075313543	/nfs/dbraw/zinc/31/35/43/1075313543.db2.gz	SJYKDVSOWSLNKZ-UHFFFAOYSA-N	1	1	417.535	1.471	20	0		HDADMO
Cc1ccc(Nc2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2)nn1	ZINC000484116214	1075314714	/nfs/dbraw/zinc/31/47/14/1075314714.db2.gz	PKTWEOFKLUBGNI-IBGZPJMESA-N	1	1	408.506	1.907	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1	ZINC000675990617	1075316133	/nfs/dbraw/zinc/31/61/33/1075316133.db2.gz	HISKOAJCZJQCFT-RHSMWYFYSA-N	1	1	400.445	1.754	20	0		HDADMO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000676006466	1075322954	/nfs/dbraw/zinc/32/29/54/1075322954.db2.gz	LARSOCANXBQYAQ-SXLOBPIMSA-N	1	1	422.595	1.962	20	0		HDADMO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000676006466	1075322962	/nfs/dbraw/zinc/32/29/62/1075322962.db2.gz	LARSOCANXBQYAQ-SXLOBPIMSA-N	1	1	422.595	1.962	20	0		HDADMO
CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@H](C)NC(=O)c3cccc(C)c3)C[C@H]2C)CC1	ZINC000676056033	1075334642	/nfs/dbraw/zinc/33/46/42/1075334642.db2.gz	QRNIADCCOGNSIP-LVCYWYKZSA-N	1	1	414.550	1.514	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1	ZINC000509378440	1075338379	/nfs/dbraw/zinc/33/83/79/1075338379.db2.gz	JRHGHPGNRZZWMK-UYAOXDASSA-N	1	1	423.602	1.118	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000466710151	1075342120	/nfs/dbraw/zinc/34/21/20/1075342120.db2.gz	KDBWWXYDUFYNAB-GOEBONIOSA-N	1	1	405.520	1.974	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000466710151	1075342125	/nfs/dbraw/zinc/34/21/25/1075342125.db2.gz	KDBWWXYDUFYNAB-GOEBONIOSA-N	1	1	405.520	1.974	20	0		HDADMO
C[NH+]1CCN([C@H](C(=O)NCCC2N=NC(=S)N2C2CC2)c2ccccc2)CC1	ZINC000731446327	1075342798	/nfs/dbraw/zinc/34/27/98/1075342798.db2.gz	GDYKWVQREMBPAE-SFHVURJKSA-N	1	1	400.552	1.549	20	0		HDADMO
Cc1c(C(=O)N2CCS[C@@H]3COCC[C@@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676072615	1075342912	/nfs/dbraw/zinc/34/29/12/1075342912.db2.gz	NFTFUZBDKVTPEG-RBUKOAKNSA-N	1	1	413.547	1.910	20	0		HDADMO
COCCc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)n1	ZINC000676092384	1075352371	/nfs/dbraw/zinc/35/23/71/1075352371.db2.gz	FWJWXHQHNGXVHD-GOSISDBHSA-N	1	1	413.522	1.576	20	0		HDADMO
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)C1CC[NH+](Cc2csc(C)n2)CC1	ZINC000509380865	1075356551	/nfs/dbraw/zinc/35/65/51/1075356551.db2.gz	QWDRFAMUDZHUJU-DOTOQJQBSA-N	1	1	423.535	1.617	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccsc2NC(=O)c2ccco2)C1	ZINC000731474397	1075361231	/nfs/dbraw/zinc/36/12/31/1075361231.db2.gz	RQRZUVAOCKGMIN-CYBMUJFWSA-N	1	1	404.492	1.911	20	0		HDADMO
C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCN1Cc1ccccc1	ZINC000676097153	1075361956	/nfs/dbraw/zinc/36/19/56/1075361956.db2.gz	IYFWMJCGRDRPFK-SFHVURJKSA-N	1	1	412.538	1.506	20	0		HDADMO
O=C(Nc1cnn(-c2ccccc2F)c1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000676091722	1075376376	/nfs/dbraw/zinc/37/63/76/1075376376.db2.gz	IEWXIYSIMRZKOW-QGZVFWFLSA-N	1	1	415.469	1.663	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731531652	1075377450	/nfs/dbraw/zinc/37/74/50/1075377450.db2.gz	FPYVDHVUCWKWRA-HZPDHXFCSA-N	1	1	404.467	1.463	20	0		HDADMO
CC(C)COC(=O)N1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000731532450	1075383530	/nfs/dbraw/zinc/38/35/30/1075383530.db2.gz	ZWFLPMMNNPVWIK-SFHVURJKSA-N	1	1	418.494	1.665	20	0		HDADMO
CC(C)COC(=O)N1CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000731532450	1075383544	/nfs/dbraw/zinc/38/35/44/1075383544.db2.gz	ZWFLPMMNNPVWIK-SFHVURJKSA-N	1	1	418.494	1.665	20	0		HDADMO
Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1	ZINC000676112538	1075386130	/nfs/dbraw/zinc/38/61/30/1075386130.db2.gz	IAPMIFJMXCOPOE-HXUWFJFHSA-N	1	1	424.549	1.035	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=CC[N@@H+](C)CC1	ZINC000804093108	1075393935	/nfs/dbraw/zinc/39/39/35/1075393935.db2.gz	XFCWSSIDKVPZRO-UAGQMJEPSA-N	1	1	408.543	1.705	20	0		HDADMO
CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)C2=O	ZINC000676145206	1075398163	/nfs/dbraw/zinc/39/81/63/1075398163.db2.gz	FHDARJRJEBGSSB-HRAATJIYSA-N	1	1	406.527	1.200	20	0		HDADMO
O=C(NC1CCN(CC(F)F)CC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676148659	1075399036	/nfs/dbraw/zinc/39/90/36/1075399036.db2.gz	ZLFNVPYKPXJIHZ-HKUYNNGSSA-N	1	1	410.509	1.898	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429400913	1075417342	/nfs/dbraw/zinc/41/73/42/1075417342.db2.gz	ALYUHBMCLHZAID-OAHLLOKOSA-N	1	1	422.489	2.115	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429400913	1075417349	/nfs/dbraw/zinc/41/73/49/1075417349.db2.gz	ALYUHBMCLHZAID-OAHLLOKOSA-N	1	1	422.489	2.115	20	0		HDADMO
CCOC1CC(C[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1	ZINC000509387674	1075418186	/nfs/dbraw/zinc/41/81/86/1075418186.db2.gz	OUYXOBVJXGBIJW-UHFFFAOYSA-N	1	1	409.508	1.139	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C	ZINC000446811437	1075420705	/nfs/dbraw/zinc/42/07/05/1075420705.db2.gz	ZLXZQRNRSFVNCO-HNNXBMFYSA-N	1	1	411.441	1.849	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)nn1	ZINC000568908191	1075421803	/nfs/dbraw/zinc/42/18/03/1075421803.db2.gz	VDYQZUFHQHSMKO-UHFFFAOYSA-N	1	1	405.458	1.921	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nn1	ZINC000568669910	1075426998	/nfs/dbraw/zinc/42/69/98/1075426998.db2.gz	CKEPVLBZHOROQR-INIZCTEOSA-N	1	1	417.897	2.248	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nn1	ZINC000568669910	1075427000	/nfs/dbraw/zinc/42/70/00/1075427000.db2.gz	CKEPVLBZHOROQR-INIZCTEOSA-N	1	1	417.897	2.248	20	0		HDADMO
CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000429406178	1075439257	/nfs/dbraw/zinc/43/92/57/1075439257.db2.gz	JQWWRXLEDHLQSG-QGZVFWFLSA-N	1	1	409.552	1.511	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1	ZINC000731655670	1075439892	/nfs/dbraw/zinc/43/98/92/1075439892.db2.gz	XDMKQPPIOADVOO-LJQANCHMSA-N	1	1	400.523	1.350	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1C[N@H+](C)CCO1	ZINC000676244072	1075445159	/nfs/dbraw/zinc/44/51/59/1075445159.db2.gz	NOVDFMVKUWQQGJ-ZBFHGGJFSA-N	1	1	412.556	1.282	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244072	1075445161	/nfs/dbraw/zinc/44/51/61/1075445161.db2.gz	NOVDFMVKUWQQGJ-ZBFHGGJFSA-N	1	1	412.556	1.282	20	0		HDADMO
C[C@H](NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)[C@@H]1CN(C)CCO1	ZINC000676243789	1075445263	/nfs/dbraw/zinc/44/52/63/1075445263.db2.gz	XUEYWNNGXSVETF-TYPHKJRUSA-N	1	1	403.571	1.384	20	0		HDADMO
C[C@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676243706	1075445864	/nfs/dbraw/zinc/44/58/64/1075445864.db2.gz	UAVYFMPEWSLHJD-FXAWDEMLSA-N	1	1	402.539	1.629	20	0		HDADMO
C[C@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676243706	1075445866	/nfs/dbraw/zinc/44/58/66/1075445866.db2.gz	UAVYFMPEWSLHJD-FXAWDEMLSA-N	1	1	402.539	1.629	20	0		HDADMO
C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[N@H+](C)CCO1	ZINC000676244511	1075446781	/nfs/dbraw/zinc/44/67/81/1075446781.db2.gz	VHNPIOKSBNWGPY-NHYWBVRUSA-N	1	1	414.300	1.739	20	0		HDADMO
C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244511	1075446786	/nfs/dbraw/zinc/44/67/86/1075446786.db2.gz	VHNPIOKSBNWGPY-NHYWBVRUSA-N	1	1	414.300	1.739	20	0		HDADMO
COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCCCNc2ccc(C)c[nH+]2)cc1	ZINC000443587561	1075448722	/nfs/dbraw/zinc/44/87/22/1075448722.db2.gz	ADJLLYCUPWFFOY-INIZCTEOSA-N	1	1	405.520	2.427	20	0		HDADMO
COc1cc(OC)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1	ZINC001006073185	1075449333	/nfs/dbraw/zinc/44/93/33/1075449333.db2.gz	KBKYMXMPGUXENQ-VMGFOFSFSA-N	1	1	401.507	1.906	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257172	1075450887	/nfs/dbraw/zinc/45/08/87/1075450887.db2.gz	PLIMWXFDFFMSGC-BEFAXECRSA-N	1	1	405.520	1.344	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257172	1075450896	/nfs/dbraw/zinc/45/08/96/1075450896.db2.gz	PLIMWXFDFFMSGC-BEFAXECRSA-N	1	1	405.520	1.344	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676256507	1075452161	/nfs/dbraw/zinc/45/21/61/1075452161.db2.gz	ADLXMRXYVCBSDD-YTQUADARSA-N	1	1	409.552	1.064	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676256507	1075452170	/nfs/dbraw/zinc/45/21/70/1075452170.db2.gz	ADLXMRXYVCBSDD-YTQUADARSA-N	1	1	409.552	1.064	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258145	1075452209	/nfs/dbraw/zinc/45/22/09/1075452209.db2.gz	CUTXYADIWULLIV-QAPCUYQASA-N	1	1	411.568	1.488	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258145	1075452212	/nfs/dbraw/zinc/45/22/12/1075452212.db2.gz	CUTXYADIWULLIV-QAPCUYQASA-N	1	1	411.568	1.488	20	0		HDADMO
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257975	1075452750	/nfs/dbraw/zinc/45/27/50/1075452750.db2.gz	BBXIKTIUHQIIKF-LPHOPBHVSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257975	1075452755	/nfs/dbraw/zinc/45/27/55/1075452755.db2.gz	BBXIKTIUHQIIKF-LPHOPBHVSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258272	1075453173	/nfs/dbraw/zinc/45/31/73/1075453173.db2.gz	GOKISHDJTPDYKU-KDOFPFPSSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258272	1075453181	/nfs/dbraw/zinc/45/31/81/1075453181.db2.gz	GOKISHDJTPDYKU-KDOFPFPSSA-N	1	1	423.560	1.676	20	0		HDADMO
CCCC[N@H+](CCOC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000731667631	1075454889	/nfs/dbraw/zinc/45/48/89/1075454889.db2.gz	UGOPGZUFZKUDOD-UHFFFAOYSA-N	1	1	410.540	1.844	20	0		HDADMO
CCCC[N@@H+](CCOC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000731667631	1075454893	/nfs/dbraw/zinc/45/48/93/1075454893.db2.gz	UGOPGZUFZKUDOD-UHFFFAOYSA-N	1	1	410.540	1.844	20	0		HDADMO
C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@@H]1C[N@H+](C)CCO1	ZINC000676258530	1075455784	/nfs/dbraw/zinc/45/57/84/1075455784.db2.gz	CNNPOJWDMOEOOP-UZLBHIALSA-N	1	1	406.486	1.894	20	0		HDADMO
C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258530	1075455787	/nfs/dbraw/zinc/45/57/87/1075455787.db2.gz	CNNPOJWDMOEOOP-UZLBHIALSA-N	1	1	406.486	1.894	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259247	1075457621	/nfs/dbraw/zinc/45/76/21/1075457621.db2.gz	SBJXZKNTHADCCC-YZLZLFLDSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259247	1075457626	/nfs/dbraw/zinc/45/76/26/1075457626.db2.gz	SBJXZKNTHADCCC-YZLZLFLDSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1C[N@H+](C)CCO1	ZINC000676259284	1075457821	/nfs/dbraw/zinc/45/78/21/1075457821.db2.gz	UBHIEWRABAHJPR-BLLLJJGKSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1C[N@@H+](C)CCO1	ZINC000676259284	1075457824	/nfs/dbraw/zinc/45/78/24/1075457824.db2.gz	UBHIEWRABAHJPR-BLLLJJGKSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676262037	1075460232	/nfs/dbraw/zinc/46/02/32/1075460232.db2.gz	VCDGHPBXKGLOEH-KBXCAEBGSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262037	1075460238	/nfs/dbraw/zinc/46/02/38/1075460238.db2.gz	VCDGHPBXKGLOEH-KBXCAEBGSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676262193	1075460684	/nfs/dbraw/zinc/46/06/84/1075460684.db2.gz	WCHRBECWXUBPLK-FXAWDEMLSA-N	1	1	423.579	1.629	20	0		HDADMO
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262193	1075460687	/nfs/dbraw/zinc/46/06/87/1075460687.db2.gz	WCHRBECWXUBPLK-FXAWDEMLSA-N	1	1	423.579	1.629	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@H]1C[N@H+](C)CCO1	ZINC000676262263	1075461651	/nfs/dbraw/zinc/46/16/51/1075461651.db2.gz	WXQAKHMQIQCFOP-OUAUKWLOSA-N	1	1	404.330	1.464	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262263	1075461653	/nfs/dbraw/zinc/46/16/53/1075461653.db2.gz	WXQAKHMQIQCFOP-OUAUKWLOSA-N	1	1	404.330	1.464	20	0		HDADMO
C[C@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676264431	1075463720	/nfs/dbraw/zinc/46/37/20/1075463720.db2.gz	RFPHSWCDKVMAAJ-XJKSGUPXSA-N	1	1	407.496	1.116	20	0		HDADMO
C[C@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676264431	1075463723	/nfs/dbraw/zinc/46/37/23/1075463723.db2.gz	RFPHSWCDKVMAAJ-XJKSGUPXSA-N	1	1	407.496	1.116	20	0		HDADMO
C[C@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1	ZINC000731680741	1075464141	/nfs/dbraw/zinc/46/41/41/1075464141.db2.gz	UUTGZJVPNWXDMY-QGZVFWFLSA-N	1	1	422.595	1.241	20	0		HDADMO
C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676250033	1075466540	/nfs/dbraw/zinc/46/65/40/1075466540.db2.gz	KPDUSMZUTNXMNX-SWLSCSKDSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250033	1075466547	/nfs/dbraw/zinc/46/65/47/1075466547.db2.gz	KPDUSMZUTNXMNX-SWLSCSKDSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251619	1075469051	/nfs/dbraw/zinc/46/90/51/1075469051.db2.gz	REKOYMYPAFFLOR-QAPCUYQASA-N	1	1	423.945	1.325	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251619	1075469053	/nfs/dbraw/zinc/46/90/53/1075469053.db2.gz	REKOYMYPAFFLOR-QAPCUYQASA-N	1	1	423.945	1.325	20	0		HDADMO
CC[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543666713	1075469213	/nfs/dbraw/zinc/46/92/13/1075469213.db2.gz	BQNJMRXCARVGAL-HKBOAZHASA-N	1	1	402.539	1.392	20	0		HDADMO
CC[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543666713	1075469217	/nfs/dbraw/zinc/46/92/17/1075469217.db2.gz	BQNJMRXCARVGAL-HKBOAZHASA-N	1	1	402.539	1.392	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252660	1075470057	/nfs/dbraw/zinc/47/00/57/1075470057.db2.gz	ROVYKRGOZJEHSI-CGVQKBNFSA-N	1	1	418.582	1.776	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252660	1075470063	/nfs/dbraw/zinc/47/00/63/1075470063.db2.gz	ROVYKRGOZJEHSI-CGVQKBNFSA-N	1	1	418.582	1.776	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1C	ZINC000676255041	1075472167	/nfs/dbraw/zinc/47/21/67/1075472167.db2.gz	RMUOUEHWCOZPFA-DOTOQJQBSA-N	1	1	412.556	1.866	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1C	ZINC000676255041	1075472177	/nfs/dbraw/zinc/47/21/77/1075472177.db2.gz	RMUOUEHWCOZPFA-DOTOQJQBSA-N	1	1	412.556	1.866	20	0		HDADMO
CC[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C	ZINC000676253320	1075472503	/nfs/dbraw/zinc/47/25/03/1075472503.db2.gz	VVGTYHVDGULDNL-VDZJLULYSA-N	1	1	406.527	1.623	20	0		HDADMO
CC[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C	ZINC000676253320	1075472508	/nfs/dbraw/zinc/47/25/08/1075472508.db2.gz	VVGTYHVDGULDNL-VDZJLULYSA-N	1	1	406.527	1.623	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676277650	1075477960	/nfs/dbraw/zinc/47/79/60/1075477960.db2.gz	BUMCZSNQKKDZNJ-OXQOHEQNSA-N	1	1	424.501	1.390	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277650	1075477963	/nfs/dbraw/zinc/47/79/63/1075477963.db2.gz	BUMCZSNQKKDZNJ-OXQOHEQNSA-N	1	1	424.501	1.390	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278975	1075479077	/nfs/dbraw/zinc/47/90/77/1075479077.db2.gz	LDMLCQZTTFFNPE-PBHICJAKSA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278975	1075479083	/nfs/dbraw/zinc/47/90/83/1075479083.db2.gz	LDMLCQZTTFFNPE-PBHICJAKSA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278991	1075479092	/nfs/dbraw/zinc/47/90/92/1075479092.db2.gz	LFKLLHHMRUXTLQ-DNVCBOLYSA-N	1	1	407.474	1.775	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278991	1075479096	/nfs/dbraw/zinc/47/90/96/1075479096.db2.gz	LFKLLHHMRUXTLQ-DNVCBOLYSA-N	1	1	407.474	1.775	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(OCC(F)(F)F)c1	ZINC000676279174	1075479222	/nfs/dbraw/zinc/47/92/22/1075479222.db2.gz	ANPOWLOFMAEYMV-WFASDCNBSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OCC(F)(F)F)c1	ZINC000676279174	1075479225	/nfs/dbraw/zinc/47/92/25/1075479225.db2.gz	ANPOWLOFMAEYMV-WFASDCNBSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676278806	1075479848	/nfs/dbraw/zinc/47/98/48/1075479848.db2.gz	KIIVZLFTWPZHDJ-MAUKXSAKSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676278806	1075479852	/nfs/dbraw/zinc/47/98/52/1075479852.db2.gz	KIIVZLFTWPZHDJ-MAUKXSAKSA-N	1	1	402.495	1.005	20	0		HDADMO
CC[C@H]([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1c(C)noc1C	ZINC000544460133	1075485297	/nfs/dbraw/zinc/48/52/97/1075485297.db2.gz	ZMBRBPUOWOEHLY-ZACQAIPSSA-N	1	1	413.540	1.527	20	0		HDADMO
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676280871	1075485451	/nfs/dbraw/zinc/48/54/51/1075485451.db2.gz	ULKMKWMZSMATBM-BLLLJJGKSA-N	1	1	410.902	1.254	20	0		HDADMO
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676280871	1075485454	/nfs/dbraw/zinc/48/54/54/1075485454.db2.gz	ULKMKWMZSMATBM-BLLLJJGKSA-N	1	1	410.902	1.254	20	0		HDADMO
COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676282032	1075487703	/nfs/dbraw/zinc/48/77/03/1075487703.db2.gz	PZHPLUGMADTGCT-SMDDNHRTSA-N	1	1	414.300	1.540	20	0		HDADMO
COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676282032	1075487708	/nfs/dbraw/zinc/48/77/08/1075487708.db2.gz	PZHPLUGMADTGCT-SMDDNHRTSA-N	1	1	414.300	1.540	20	0		HDADMO
COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676282030	1075487964	/nfs/dbraw/zinc/48/79/64/1075487964.db2.gz	PZHPLUGMADTGCT-FZMZJTMJSA-N	1	1	414.300	1.540	20	0		HDADMO
COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282030	1075487968	/nfs/dbraw/zinc/48/79/68/1075487968.db2.gz	PZHPLUGMADTGCT-FZMZJTMJSA-N	1	1	414.300	1.540	20	0		HDADMO
COCCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1	ZINC000509401376	1075488185	/nfs/dbraw/zinc/48/81/85/1075488185.db2.gz	SCSMAESVHDBQEI-QGZVFWFLSA-N	1	1	419.547	1.862	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676282259	1075489608	/nfs/dbraw/zinc/48/96/08/1075489608.db2.gz	ZTHDGWKNMRJHKB-BEFAXECRSA-N	1	1	416.522	1.979	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282259	1075489610	/nfs/dbraw/zinc/48/96/10/1075489610.db2.gz	ZTHDGWKNMRJHKB-BEFAXECRSA-N	1	1	416.522	1.979	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676307371	1075493640	/nfs/dbraw/zinc/49/36/40/1075493640.db2.gz	PENNBAIZSVIVLO-CXAGYDPISA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676307371	1075493642	/nfs/dbraw/zinc/49/36/42/1075493642.db2.gz	PENNBAIZSVIVLO-CXAGYDPISA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[C@H]1C[N@H+](C)CCO1	ZINC000676289854	1075494495	/nfs/dbraw/zinc/49/44/95/1075494495.db2.gz	JLWMDRQQPFMLFJ-FVINJOMDSA-N	1	1	407.511	1.552	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[C@H]1C[N@@H+](C)CCO1	ZINC000676289854	1075494499	/nfs/dbraw/zinc/49/44/99/1075494499.db2.gz	JLWMDRQQPFMLFJ-FVINJOMDSA-N	1	1	407.511	1.552	20	0		HDADMO
CCC[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)N1CCc2sccc2C1	ZINC000676292686	1075497065	/nfs/dbraw/zinc/49/70/65/1075497065.db2.gz	NLHQAJVQJXAKGX-PVAVHDDUSA-N	1	1	408.568	1.820	20	0		HDADMO
CCC[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)N1CCc2sccc2C1	ZINC000676292686	1075497069	/nfs/dbraw/zinc/49/70/69/1075497069.db2.gz	NLHQAJVQJXAKGX-PVAVHDDUSA-N	1	1	408.568	1.820	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1(c2ccc3c(c2)OCO3)CC1	ZINC000676295552	1075498837	/nfs/dbraw/zinc/49/88/37/1075498837.db2.gz	PYOPZAINKBZMAJ-KRWDZBQOSA-N	1	1	402.495	1.110	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1	ZINC000676295626	1075499339	/nfs/dbraw/zinc/49/93/39/1075499339.db2.gz	UILBXRQRPHSUCT-SEJPIABJSA-N	1	1	413.566	1.597	20	0		HDADMO
C[C@H](CNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C[NH+]1CCOCC1	ZINC000676302125	1075501484	/nfs/dbraw/zinc/50/14/84/1075501484.db2.gz	VCBPZEAJYVZBMI-SNVBAGLBSA-N	1	1	414.375	1.530	20	0		HDADMO
CC(C)c1nnc(NC(=O)CCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)s1	ZINC000676300447	1075501512	/nfs/dbraw/zinc/50/15/12/1075501512.db2.gz	BACSJWLVUVXZTM-AWEZNQCLSA-N	1	1	422.555	1.321	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccn([C@@H](C)COC)n2)CC[N@@H+]1Cc1ccccc1	ZINC000426975503	1075504471	/nfs/dbraw/zinc/50/44/71/1075504471.db2.gz	TTZVIYHYSLNOFR-HKUYNNGSSA-N	1	1	413.522	2.152	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccn([C@@H](C)COC)n2)CC[N@H+]1Cc1ccccc1	ZINC000426975503	1075504474	/nfs/dbraw/zinc/50/44/74/1075504474.db2.gz	TTZVIYHYSLNOFR-HKUYNNGSSA-N	1	1	413.522	2.152	20	0		HDADMO
C[C@@H]1CCCCN1C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035753659	1075505537	/nfs/dbraw/zinc/50/55/37/1075505537.db2.gz	VESKYMHYJBOPPT-KKEPMVJESA-N	1	1	401.551	1.735	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)c1	ZINC000676317023	1075505713	/nfs/dbraw/zinc/50/57/13/1075505713.db2.gz	PEOJSADXDGKBGD-SFHVURJKSA-N	1	1	424.567	1.062	20	0		HDADMO
CC1CCN(C(=O)C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)CC1	ZINC001035752196	1075505739	/nfs/dbraw/zinc/50/57/39/1075505739.db2.gz	DUWMASCDUKAJKL-IYWGDAJJSA-N	1	1	401.551	1.593	20	0		HDADMO
CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1	ZINC001006091717	1075511785	/nfs/dbraw/zinc/51/17/85/1075511785.db2.gz	FDWXHJDSRCQLSH-XXFFEUEESA-N	1	1	401.507	1.666	20	0		HDADMO
CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1	ZINC001006091717	1075511792	/nfs/dbraw/zinc/51/17/92/1075511792.db2.gz	FDWXHJDSRCQLSH-XXFFEUEESA-N	1	1	401.507	1.666	20	0		HDADMO
CC(C)[C@H](CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C)N1CC[NH+](C)CC1	ZINC000731756256	1075512168	/nfs/dbraw/zinc/51/21/68/1075512168.db2.gz	GXDNBAXBRUFSRZ-MSOLQXFVSA-N	1	1	411.591	1.909	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000731757775	1075513509	/nfs/dbraw/zinc/51/35/09/1075513509.db2.gz	IVJKGKUFUKEMPH-UHFFFAOYSA-N	1	1	404.577	1.039	20	0		HDADMO
CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1	ZINC000731758883	1075514223	/nfs/dbraw/zinc/51/42/23/1075514223.db2.gz	JOJQNXGJLUGWLB-UHFFFAOYSA-N	1	1	410.584	1.447	20	0		HDADMO
CNC(=O)c1ccc(CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C2CC2)cc1	ZINC000731761856	1075516265	/nfs/dbraw/zinc/51/62/65/1075516265.db2.gz	KGEFTTOSCJIQTD-UHFFFAOYSA-N	1	1	415.538	1.273	20	0		HDADMO
CC(C)COC(=O)N1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1	ZINC000731762002	1075516457	/nfs/dbraw/zinc/51/64/57/1075516457.db2.gz	UZQCTOJULGBXFJ-UHFFFAOYSA-N	1	1	411.547	1.049	20	0		HDADMO
CCN(CC)C(=O)c1ccccc1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000731761936	1075516809	/nfs/dbraw/zinc/51/68/09/1075516809.db2.gz	OYPSZVRKPOEMDG-UHFFFAOYSA-N	1	1	403.527	1.843	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676331791	1075521740	/nfs/dbraw/zinc/52/17/40/1075521740.db2.gz	AZZIOZHSPCRIDU-ZIBATOQPSA-N	1	1	424.295	1.269	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676331791	1075521745	/nfs/dbraw/zinc/52/17/45/1075521745.db2.gz	AZZIOZHSPCRIDU-ZIBATOQPSA-N	1	1	424.295	1.269	20	0		HDADMO
C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)CO)c1	ZINC000676361887	1075524163	/nfs/dbraw/zinc/52/41/63/1075524163.db2.gz	FVNGWMIJWRMRRW-CQSZACIVSA-N	1	1	422.501	1.712	20	0		HDADMO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)n1	ZINC000429427425	1075524166	/nfs/dbraw/zinc/52/41/66/1075524166.db2.gz	NRUZKALWUVOLRX-OAHLLOKOSA-N	1	1	401.467	1.579	20	0		HDADMO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n1	ZINC000429427425	1075524175	/nfs/dbraw/zinc/52/41/75/1075524175.db2.gz	NRUZKALWUVOLRX-OAHLLOKOSA-N	1	1	401.467	1.579	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)CO)c1	ZINC000676361887	1075524172	/nfs/dbraw/zinc/52/41/72/1075524172.db2.gz	FVNGWMIJWRMRRW-CQSZACIVSA-N	1	1	422.501	1.712	20	0		HDADMO
COc1nc(NCCC[NH+]2CCN(c3ncccn3)CC2)ncc1Br	ZINC000480398375	1075524445	/nfs/dbraw/zinc/52/44/45/1075524445.db2.gz	UHYRVWWKJYGSFL-UHFFFAOYSA-N	1	1	408.304	1.662	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1	ZINC000731827282	1075525209	/nfs/dbraw/zinc/52/52/09/1075525209.db2.gz	WHPHAAJVIFWFJV-WAIKUNEKSA-N	1	1	424.501	1.132	20	0		HDADMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429428539	1075527620	/nfs/dbraw/zinc/52/76/20/1075527620.db2.gz	PHHBHTGBYWLLIW-CQSZACIVSA-N	1	1	402.499	2.153	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O	ZINC000731848553	1075531329	/nfs/dbraw/zinc/53/13/29/1075531329.db2.gz	UWOONAMVNSWUOF-CQUHBBLWSA-N	1	1	403.504	1.704	20	0		HDADMO
COc1nnc(NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1	ZINC000482474358	1075531780	/nfs/dbraw/zinc/53/17/80/1075531780.db2.gz	FCHQIEGUGHHBRH-MRXNPFEDSA-N	1	1	402.524	1.971	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)C1	ZINC000676359411	1075533066	/nfs/dbraw/zinc/53/30/66/1075533066.db2.gz	QDZJHGCFIIZDAP-SJORKVTESA-N	1	1	414.506	1.423	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCCO)Cc1cccc(Cl)c1	ZINC000676385930	1075533739	/nfs/dbraw/zinc/53/37/39/1075533739.db2.gz	IGFFEKPTROBOSN-HXUWFJFHSA-N	1	1	424.973	1.641	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCOC2(CCSCC2)C1	ZINC000676387145	1075534155	/nfs/dbraw/zinc/53/41/55/1075534155.db2.gz	YZPZJXHACQGQCF-ZWKOTPCHSA-N	1	1	412.600	1.137	20	0		HDADMO
COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000676393194	1075541206	/nfs/dbraw/zinc/54/12/06/1075541206.db2.gz	MUNNNUKMXBRALL-NVXWUHKLSA-N	1	1	410.536	1.475	20	0		HDADMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000555662851	1075541399	/nfs/dbraw/zinc/54/13/99/1075541399.db2.gz	FGBKMUCCNFESDD-ZDUSSCGKSA-N	1	1	411.466	1.832	20	0		HDADMO
CC(C)C[N@@H+]1CCO[C@@H](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804143363	1075543201	/nfs/dbraw/zinc/54/32/01/1075543201.db2.gz	ANTSKUWETSBEAD-UZLBHIALSA-N	1	1	423.535	1.214	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804143363	1075543205	/nfs/dbraw/zinc/54/32/05/1075543205.db2.gz	ANTSKUWETSBEAD-UZLBHIALSA-N	1	1	423.535	1.214	20	0		HDADMO
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676401662	1075544339	/nfs/dbraw/zinc/54/43/39/1075544339.db2.gz	AYUAMILTXRSCRX-SWLSCSKDSA-N	1	1	403.483	1.089	20	0		HDADMO
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676401662	1075544342	/nfs/dbraw/zinc/54/43/42/1075544342.db2.gz	AYUAMILTXRSCRX-SWLSCSKDSA-N	1	1	403.483	1.089	20	0		HDADMO
COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1OC	ZINC001006107822	1075545461	/nfs/dbraw/zinc/54/54/61/1075545461.db2.gz	CXRGDBAEEBNUAF-FGTAOJJYSA-N	1	1	401.507	1.906	20	0		HDADMO
CCCOc1ccc2c(c1)CCN(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2	ZINC000676420783	1075549798	/nfs/dbraw/zinc/54/97/98/1075549798.db2.gz	QFROQUSBKBYREP-OAQYLSRUSA-N	1	1	416.566	1.950	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3ccccn3)cc2)CC1	ZINC000676455679	1075559522	/nfs/dbraw/zinc/55/95/22/1075559522.db2.gz	LVARUELZBNMLNT-UHFFFAOYSA-N	1	1	423.517	1.547	20	0		HDADMO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2nnc3ccccc3c2O)CC1	ZINC000731870785	1075559925	/nfs/dbraw/zinc/55/99/25/1075559925.db2.gz	XAKKIAKKTSXLGJ-UHFFFAOYSA-N	1	1	413.522	1.892	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)O[C@H](C)C2	ZINC000676501852	1075570601	/nfs/dbraw/zinc/57/06/01/1075570601.db2.gz	WBMOZMNTYFZXNL-CRAIPNDOSA-N	1	1	402.539	1.986	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)O[C@H](C)C2	ZINC000676501852	1075570604	/nfs/dbraw/zinc/57/06/04/1075570604.db2.gz	WBMOZMNTYFZXNL-CRAIPNDOSA-N	1	1	402.539	1.986	20	0		HDADMO
C[C@@H]1COCCCN1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000676520441	1075575896	/nfs/dbraw/zinc/57/58/96/1075575896.db2.gz	WHJHMCFXOBRGGY-QGZVFWFLSA-N	1	1	403.527	1.540	20	0		HDADMO
CCCNC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000731961077	1075576930	/nfs/dbraw/zinc/57/69/30/1075576930.db2.gz	ZSCYPGFIQYXZNY-IBGZPJMESA-N	1	1	416.522	1.478	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1COc2ccccc2C1	ZINC000731961891	1075577296	/nfs/dbraw/zinc/57/72/96/1075577296.db2.gz	BSDGOEFRHZVIIF-FXAWDEMLSA-N	1	1	401.507	1.067	20	0		HDADMO
CS(=O)(=O)NC1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1	ZINC000676541882	1075580320	/nfs/dbraw/zinc/58/03/20/1075580320.db2.gz	UUYKNLIRNSYFIF-WMZOPIPTSA-N	1	1	412.600	1.897	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)O[C@H](C)C2	ZINC000676543776	1075581774	/nfs/dbraw/zinc/58/17/74/1075581774.db2.gz	GKWDNGXXQGYOPP-APWZRJJASA-N	1	1	402.539	1.940	20	0		HDADMO
COc1c(C)cnc(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1C	ZINC000731982010	1075583316	/nfs/dbraw/zinc/58/33/16/1075583316.db2.gz	OMOGJYUDMRQASY-GOSISDBHSA-N	1	1	404.511	1.037	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C1	ZINC000676551007	1075584431	/nfs/dbraw/zinc/58/44/31/1075584431.db2.gz	GQOWGELSXSOHSO-NRFANRHFSA-N	1	1	418.501	1.998	20	0		HDADMO
CN(C(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446852364	1075587286	/nfs/dbraw/zinc/58/72/86/1075587286.db2.gz	NSGSMNDGGIYAJE-IBGZPJMESA-N	1	1	410.522	2.455	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676555786	1075589124	/nfs/dbraw/zinc/58/91/24/1075589124.db2.gz	BBOKFLKZAXOZCF-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676555786	1075589126	/nfs/dbraw/zinc/58/91/26/1075589126.db2.gz	BBOKFLKZAXOZCF-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@@H+]1CCc2sccc2C1	ZINC000676545508	1075592138	/nfs/dbraw/zinc/59/21/38/1075592138.db2.gz	LGUUDMRBWWXFAQ-HNNXBMFYSA-N	1	1	424.530	1.889	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@H+]1CCc2sccc2C1	ZINC000676545508	1075592141	/nfs/dbraw/zinc/59/21/41/1075592141.db2.gz	LGUUDMRBWWXFAQ-HNNXBMFYSA-N	1	1	424.530	1.889	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)NC(C)(C)COc1ncccc1Br	ZINC000543679675	1075597025	/nfs/dbraw/zinc/59/70/25/1075597025.db2.gz	BLXZQNMFNTZSEU-UHFFFAOYSA-N	1	1	403.321	1.879	20	0		HDADMO
C[N@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1	ZINC000732060681	1075597997	/nfs/dbraw/zinc/59/79/97/1075597997.db2.gz	ODGAAQQWSPYZJF-CYBMUJFWSA-N	1	1	401.916	1.042	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)[NH+]2CCCC2)o1	ZINC000804177216	1075604357	/nfs/dbraw/zinc/60/43/57/1075604357.db2.gz	MPXCNSNAIZRIQE-ZBFHGGJFSA-N	1	1	422.526	1.871	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[NH+]2CCCC2)o1	ZINC000804176139	1075607948	/nfs/dbraw/zinc/60/79/48/1075607948.db2.gz	DADXCUZENQDIJH-MRXNPFEDSA-N	1	1	422.526	1.824	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(cnn4C(F)F)c3)CC2)C1	ZINC000676619359	1075618392	/nfs/dbraw/zinc/61/83/92/1075618392.db2.gz	SETXUZGFUKCNGE-INIZCTEOSA-N	1	1	420.464	1.608	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)N(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1	ZINC000485864355	1075636090	/nfs/dbraw/zinc/63/60/90/1075636090.db2.gz	QPKQECICDJZCEF-STQMWFEESA-N	1	1	403.483	1.597	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1	ZINC000533834522	1075636179	/nfs/dbraw/zinc/63/61/79/1075636179.db2.gz	AELAFOCQVQYZBW-HOTGVXAUSA-N	1	1	413.526	1.869	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1	ZINC000533834522	1075636180	/nfs/dbraw/zinc/63/61/80/1075636180.db2.gz	AELAFOCQVQYZBW-HOTGVXAUSA-N	1	1	413.526	1.869	20	0		HDADMO
CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732167005	1075644059	/nfs/dbraw/zinc/64/40/59/1075644059.db2.gz	UMOCOKGNYBAUHK-ROUUACIJSA-N	1	1	402.495	1.242	20	0		HDADMO
CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCc2c1cnn2C	ZINC000676684615	1075647641	/nfs/dbraw/zinc/64/76/41/1075647641.db2.gz	OYFMUILWXPTRRG-GOSISDBHSA-N	1	1	412.542	1.441	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000732149282	1075650363	/nfs/dbraw/zinc/65/03/63/1075650363.db2.gz	GCLSCKUAQHSOFC-ZRGSNEMSSA-N	1	1	420.579	1.061	20	0		HDADMO
CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cn2)CC1	ZINC000676699024	1075650910	/nfs/dbraw/zinc/65/09/10/1075650910.db2.gz	ZDZUGTUHTASSGC-GOSISDBHSA-N	1	1	421.567	1.509	20	0		HDADMO
CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000676702584	1075651687	/nfs/dbraw/zinc/65/16/87/1075651687.db2.gz	WKURMZSAMMTUDW-HXUWFJFHSA-N	1	1	416.566	1.518	20	0		HDADMO
COC(=O)c1nn(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(=O)c2noc(C)c21	ZINC000732187793	1075653594	/nfs/dbraw/zinc/65/35/94/1075653594.db2.gz	WERUXQXHUXCDDW-CQSZACIVSA-N	1	1	411.462	1.643	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCc3ccccc3[C@H]2C(N)=O)CC1	ZINC000676704040	1075655916	/nfs/dbraw/zinc/65/59/16/1075655916.db2.gz	LBGMIONYHSZRSM-JPYJTQIMSA-N	1	1	406.530	1.977	20	0		HDADMO
C[C@H]1COCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000676714548	1075657887	/nfs/dbraw/zinc/65/78/87/1075657887.db2.gz	VXOQRLRHJYHAAD-ZDUSSCGKSA-N	1	1	421.972	1.345	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCCOC[C@H]3C)CC2)cc1C	ZINC000676715379	1075658319	/nfs/dbraw/zinc/65/83/19/1075658319.db2.gz	VRTMEUHECWVSGT-GOSISDBHSA-N	1	1	409.552	1.247	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(F)c(S(N)(=O)=O)c3)CC2)oc1C	ZINC000732176904	1075661153	/nfs/dbraw/zinc/66/11/53/1075661153.db2.gz	MDUJCSGBYXFPSN-UHFFFAOYSA-N	1	1	424.498	1.720	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)CC1	ZINC000732180374	1075662978	/nfs/dbraw/zinc/66/29/78/1075662978.db2.gz	HYIWTLKMDJCVOK-SFHVURJKSA-N	1	1	414.428	1.608	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)C1	ZINC000732206767	1075664085	/nfs/dbraw/zinc/66/40/85/1075664085.db2.gz	BEARTJRZOJAMCQ-INIZCTEOSA-N	1	1	412.490	1.630	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)C1	ZINC000732206767	1075664087	/nfs/dbraw/zinc/66/40/87/1075664087.db2.gz	BEARTJRZOJAMCQ-INIZCTEOSA-N	1	1	412.490	1.630	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000732207123	1075664588	/nfs/dbraw/zinc/66/45/88/1075664588.db2.gz	BQULNPPTNCBZAV-OAHLLOKOSA-N	1	1	424.567	1.878	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000732207123	1075664591	/nfs/dbraw/zinc/66/45/91/1075664591.db2.gz	BQULNPPTNCBZAV-OAHLLOKOSA-N	1	1	424.567	1.878	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)NCc1ccc(N2CCCC2=O)cc1	ZINC000732210656	1075666834	/nfs/dbraw/zinc/66/68/34/1075666834.db2.gz	BPJPGPSAXQTHCV-OAQYLSRUSA-N	1	1	414.550	1.616	20	0		HDADMO
Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732210446	1075667305	/nfs/dbraw/zinc/66/73/05/1075667305.db2.gz	IEAQQXCATYOORK-IBGZPJMESA-N	1	1	400.523	1.869	20	0		HDADMO
Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732210446	1075667309	/nfs/dbraw/zinc/66/73/09/1075667309.db2.gz	IEAQQXCATYOORK-IBGZPJMESA-N	1	1	400.523	1.869	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732211565	1075667952	/nfs/dbraw/zinc/66/79/52/1075667952.db2.gz	WFYOPYRIFJBXHJ-IBGZPJMESA-N	1	1	404.555	1.324	20	0		HDADMO
CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1	ZINC000676747575	1075669831	/nfs/dbraw/zinc/66/98/31/1075669831.db2.gz	HVEWWZCSSMCOEW-CRAIPNDOSA-N	1	1	422.551	1.007	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1	ZINC000732223025	1075671843	/nfs/dbraw/zinc/67/18/43/1075671843.db2.gz	CLASSHLPSPNXHB-INIZCTEOSA-N	1	1	418.581	1.653	20	0		HDADMO
CCOC(=O)CCc1c2cccc(-n3[nH]c(=O)nc3C[NH3+])c2[nH]c1C(=O)OCC	ZINC001168761320	1075677561	/nfs/dbraw/zinc/67/75/61/1075677561.db2.gz	PJCGIBRXHOQGMS-UHFFFAOYSA-N	1	1	401.423	1.585	20	0		HDADMO
COc1cccc([C@@H](O)CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000732245249	1075679432	/nfs/dbraw/zinc/67/94/32/1075679432.db2.gz	WOVZPWOKLQZFBD-NRFANRHFSA-N	1	1	413.522	1.635	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1	ZINC000732254088	1075680525	/nfs/dbraw/zinc/68/05/25/1075680525.db2.gz	SINCTXXKOZVIPP-YOEHRIQHSA-N	1	1	411.344	1.778	20	0		HDADMO
CC[C@@H](C)N1CC(=O)N(c2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000804205471	1075681124	/nfs/dbraw/zinc/68/11/24/1075681124.db2.gz	GUMVTRSVHOBPEK-MRXNPFEDSA-N	1	1	401.511	1.464	20	0		HDADMO
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1=O	ZINC000429464833	1075691149	/nfs/dbraw/zinc/69/11/49/1075691149.db2.gz	DUVPSCHKQSOFIZ-MISYRCLQSA-N	1	1	415.538	1.325	20	0		HDADMO
Cc1nccc(NCc2cccc(C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)c2)n1	ZINC000543582709	1075693178	/nfs/dbraw/zinc/69/31/78/1075693178.db2.gz	KPJLHZNYUOPELZ-UHFFFAOYSA-N	1	1	410.522	1.633	20	0		HDADMO
COc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)cn1	ZINC001084995990	1075695037	/nfs/dbraw/zinc/69/50/37/1075695037.db2.gz	LCSYNGHXGBUKMJ-QFCZJPRCSA-N	1	1	401.507	1.565	20	0		HDADMO
COc1cc2[nH+]c(N[C@H](C)Cn3ncc4ccccc4c3=O)nc(N)c2cc1OC	ZINC000487110514	1075703326	/nfs/dbraw/zinc/70/33/26/1075703326.db2.gz	QTZFOEANLBCGLG-GFCCVEGCSA-N	1	1	406.446	1.862	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1	ZINC000475831011	1075711165	/nfs/dbraw/zinc/71/11/65/1075711165.db2.gz	KQOJGABEFJWGJA-MRXNPFEDSA-N	1	1	419.917	1.978	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1	ZINC000471993343	1075712406	/nfs/dbraw/zinc/71/24/06/1075712406.db2.gz	SYPIZZRVPJHBNB-GOEBONIOSA-N	1	1	405.890	1.587	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1	ZINC000471993343	1075712414	/nfs/dbraw/zinc/71/24/14/1075712414.db2.gz	SYPIZZRVPJHBNB-GOEBONIOSA-N	1	1	405.890	1.587	20	0		HDADMO
C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1c(F)cccc1F	ZINC000443486956	1075713104	/nfs/dbraw/zinc/71/31/04/1075713104.db2.gz	HTPOWBAAKWELHD-WCQYABFASA-N	1	1	406.437	2.020	20	0		HDADMO
C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1c(F)cccc1F	ZINC000443486956	1075713111	/nfs/dbraw/zinc/71/31/11/1075713111.db2.gz	HTPOWBAAKWELHD-WCQYABFASA-N	1	1	406.437	2.020	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCc2ncsc2C1	ZINC000509439148	1075714200	/nfs/dbraw/zinc/71/42/00/1075714200.db2.gz	OCTSCCVDQBBCAY-INIZCTEOSA-N	1	1	413.547	1.355	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cc(-c2cccc(F)c2)on1	ZINC000448095283	1075715177	/nfs/dbraw/zinc/71/51/77/1075715177.db2.gz	VFJLNBADNWEANV-MRXNPFEDSA-N	1	1	403.458	2.545	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@H]1CCO	ZINC000509438653	1075716079	/nfs/dbraw/zinc/71/60/79/1075716079.db2.gz	NAWKMCXGLYGTLH-ICSRJNTNSA-N	1	1	402.539	1.077	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1C1CC1	ZINC000555033387	1075728928	/nfs/dbraw/zinc/72/89/28/1075728928.db2.gz	SAFBSKNIJWVPET-KRWDZBQOSA-N	1	1	413.547	1.970	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1C1CC1	ZINC000555033387	1075728933	/nfs/dbraw/zinc/72/89/33/1075728933.db2.gz	SAFBSKNIJWVPET-KRWDZBQOSA-N	1	1	413.547	1.970	20	0		HDADMO
CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509259125	1075737484	/nfs/dbraw/zinc/73/74/84/1075737484.db2.gz	RRFSALFISABAAU-CVEARBPZSA-N	1	1	414.597	1.932	20	0		HDADMO
Cc1cc(CNC(=O)CCc2c(C)nc3nc(N)nn3c2C)cc(N2CCCC2)[nH+]1	ZINC000582035247	1075739397	/nfs/dbraw/zinc/73/93/97/1075739397.db2.gz	SCVRFXQLGQLWTO-UHFFFAOYSA-N	1	1	408.510	1.876	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCNc2ccc(C)c[nH+]2)cc1	ZINC000605890839	1075747505	/nfs/dbraw/zinc/74/75/05/1075747505.db2.gz	AKQADJUILVWIOB-HNNXBMFYSA-N	1	1	418.519	1.878	20	0		HDADMO
C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000429477022	1075748032	/nfs/dbraw/zinc/74/80/32/1075748032.db2.gz	QYMAKUZWDZXHSY-IBGZPJMESA-N	1	1	415.582	1.609	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000732459070	1075749639	/nfs/dbraw/zinc/74/96/39/1075749639.db2.gz	NDASBRFCEGZKFV-CVEARBPZSA-N	1	1	413.563	1.484	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000490540555	1075752074	/nfs/dbraw/zinc/75/20/74/1075752074.db2.gz	HVIHWXUIODLTLR-SFHVURJKSA-N	1	1	407.522	1.547	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000497967050	1075754357	/nfs/dbraw/zinc/75/43/57/1075754357.db2.gz	ZATOOUGWPJXUEE-KSSFIOAISA-N	1	1	407.522	1.893	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1	ZINC000732475738	1075756947	/nfs/dbraw/zinc/75/69/47/1075756947.db2.gz	LYKSSURDQAROBR-UHFFFAOYSA-N	1	1	407.515	1.987	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2	ZINC000543388153	1075757691	/nfs/dbraw/zinc/75/76/91/1075757691.db2.gz	QUTATNZZIJZOAR-UHFFFAOYSA-N	1	1	400.512	1.728	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2	ZINC000543388153	1075757700	/nfs/dbraw/zinc/75/77/00/1075757700.db2.gz	QUTATNZZIJZOAR-UHFFFAOYSA-N	1	1	400.512	1.728	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[N@@H+](C)Cc1ccccc1	ZINC000732479969	1075758377	/nfs/dbraw/zinc/75/83/77/1075758377.db2.gz	CIRVQVKFUKZGDG-KRWDZBQOSA-N	1	1	423.517	1.198	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1	ZINC000555937418	1075760983	/nfs/dbraw/zinc/76/09/83/1075760983.db2.gz	DPQPCUHMDGXSOD-UHFFFAOYSA-N	1	1	406.284	1.784	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)C1CCCC1	ZINC000483963632	1075761211	/nfs/dbraw/zinc/76/12/11/1075761211.db2.gz	ZBXVMXOLKYSZLA-UHFFFAOYSA-N	1	1	404.902	1.909	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC[NH+]1CCN(c2ccccc2)CC1	ZINC000642216602	1075761871	/nfs/dbraw/zinc/76/18/71/1075761871.db2.gz	BNMKPXDPTGPBSN-UHFFFAOYSA-N	1	1	422.537	1.194	20	0		HDADMO
CC(C)(C)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)no1	ZINC000493681482	1075770349	/nfs/dbraw/zinc/77/03/49/1075770349.db2.gz	OGEAALQRGVRRKM-IAGOWNOFSA-N	1	1	414.506	1.910	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)C1CC1	ZINC000804223770	1075775739	/nfs/dbraw/zinc/77/57/39/1075775739.db2.gz	HJEVFXVYTXJAQE-RDJZCZTQSA-N	1	1	410.559	1.881	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CC1	ZINC000804223225	1075776380	/nfs/dbraw/zinc/77/63/80/1075776380.db2.gz	BDZMAFOENHAYHJ-NRFANRHFSA-N	1	1	408.543	1.446	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)CC1=O	ZINC000732526560	1075780834	/nfs/dbraw/zinc/78/08/34/1075780834.db2.gz	FVMSEQNWOLPHCV-IXDOHACOSA-N	1	1	410.559	1.691	20	0		HDADMO
CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732560229	1075785942	/nfs/dbraw/zinc/78/59/42/1075785942.db2.gz	WSWMTPJRYURKOE-IBGZPJMESA-N	1	1	414.550	1.819	20	0		HDADMO
CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732560229	1075785947	/nfs/dbraw/zinc/78/59/47/1075785947.db2.gz	WSWMTPJRYURKOE-IBGZPJMESA-N	1	1	414.550	1.819	20	0		HDADMO
CCOc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1OCC	ZINC000016340007	1075786072	/nfs/dbraw/zinc/78/60/72/1075786072.db2.gz	UMESPKFJTQRECA-UHFFFAOYSA-N	1	1	419.522	1.993	20	0		HDADMO
O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1C[N@H+]2CCN1CCC2	ZINC000486824593	1075790413	/nfs/dbraw/zinc/79/04/13/1075790413.db2.gz	GWCRBLSAKPLDCT-HOTGVXAUSA-N	1	1	412.412	1.197	20	0		HDADMO
C[NH+]1CCN([C@H](C(=O)Nc2ccn(CCc3ccncc3)n2)c2ccccc2)CC1	ZINC000589998094	1075793007	/nfs/dbraw/zinc/79/30/07/1075793007.db2.gz	UNRQPKQWMKRKLO-QFIPXVFZSA-N	1	1	404.518	2.448	20	0		HDADMO
CC(C)C1CCC(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)CC1	ZINC000446827387	1075803668	/nfs/dbraw/zinc/80/36/68/1075803668.db2.gz	UARYXQXUGGQUKV-UHFFFAOYSA-N	1	1	418.586	1.742	20	0		HDADMO
C[C@H]1CN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1CC(C)(C)O	ZINC000435802834	1075805283	/nfs/dbraw/zinc/80/52/83/1075805283.db2.gz	ZNPVGFHDZMMSMF-AWEZNQCLSA-N	1	1	417.476	2.389	20	0		HDADMO
CCN(CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C	ZINC000804254191	1075806869	/nfs/dbraw/zinc/80/68/69/1075806869.db2.gz	ASBXEHKTLFDMDY-WMZOPIPTSA-N	1	1	422.570	1.835	20	0		HDADMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000556208091	1075808008	/nfs/dbraw/zinc/80/80/08/1075808008.db2.gz	QKFQAJMVTVKBEI-ZFWWWQNUSA-N	1	1	415.460	1.817	20	0		HDADMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000441020150	1075808053	/nfs/dbraw/zinc/80/80/53/1075808053.db2.gz	ZPMQBLITEGOJDZ-BBRMVZONSA-N	1	1	404.902	1.717	20	0		HDADMO
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000427273255	1075809631	/nfs/dbraw/zinc/80/96/31/1075809631.db2.gz	FNLCOKRXDPVEFS-FXAWDEMLSA-N	1	1	424.549	1.725	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC[N@H+]1C	ZINC000490477499	1075812236	/nfs/dbraw/zinc/81/22/36/1075812236.db2.gz	QDYANAKFYDDYDX-RYUDHWBXSA-N	1	1	410.400	1.824	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611036411	1075817947	/nfs/dbraw/zinc/81/79/47/1075817947.db2.gz	UCYIVJKMGQRSCS-GOSISDBHSA-N	1	1	403.527	1.571	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1	ZINC000611036984	1075818020	/nfs/dbraw/zinc/81/80/20/1075818020.db2.gz	XNBUOEMMQWCWRK-HNNXBMFYSA-N	1	1	423.535	1.278	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	ZINC000732659534	1075819402	/nfs/dbraw/zinc/81/94/02/1075819402.db2.gz	SCLCVLRQLIIMAI-ZWKOTPCHSA-N	1	1	408.449	1.517	20	0		HDADMO
C[NH+](C)[C@H](C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000732662191	1075820021	/nfs/dbraw/zinc/82/00/21/1075820021.db2.gz	MPVWZYZAVLDNRC-HNNXBMFYSA-N	1	1	407.458	1.967	20	0		HDADMO
C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3cc[nH+]c(N4CCOCC4)n3)c2)C1=O	ZINC000561317690	1075820128	/nfs/dbraw/zinc/82/01/28/1075820128.db2.gz	KPTUHODERFAIGX-JOCHJYFZSA-N	1	1	422.489	2.150	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000611045660	1075820228	/nfs/dbraw/zinc/82/02/28/1075820228.db2.gz	HPPGCSQJGMOUMZ-RBUKOAKNSA-N	1	1	423.554	1.282	20	0		HDADMO
CSC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1	ZINC000429291593	1075827136	/nfs/dbraw/zinc/82/71/36/1075827136.db2.gz	GRMOVLDCUCEVML-SFHVURJKSA-N	1	1	405.564	1.850	20	0		HDADMO
CSC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1	ZINC000429291591	1075827270	/nfs/dbraw/zinc/82/72/70/1075827270.db2.gz	GRMOVLDCUCEVML-GOSISDBHSA-N	1	1	405.564	1.850	20	0		HDADMO
CC[N@H+]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C[C@@H]1C	ZINC000611088312	1075827645	/nfs/dbraw/zinc/82/76/45/1075827645.db2.gz	OYNGRPBJKOZXHB-WMZOPIPTSA-N	1	1	413.609	1.948	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2I)C[C@@H]1C	ZINC000611100792	1075833286	/nfs/dbraw/zinc/83/32/86/1075833286.db2.gz	QWWSNCVEWRGBMY-JTQLQIEISA-N	1	1	419.238	1.921	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2I)C[C@@H]1C	ZINC000611100792	1075833292	/nfs/dbraw/zinc/83/32/92/1075833292.db2.gz	QWWSNCVEWRGBMY-JTQLQIEISA-N	1	1	419.238	1.921	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000732698986	1075834471	/nfs/dbraw/zinc/83/44/71/1075834471.db2.gz	RISDNWFODWXVDX-CQSZACIVSA-N	1	1	414.494	1.578	20	0		HDADMO
Cc1occc1-c1cc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n(CCO)n1	ZINC000732758664	1075845597	/nfs/dbraw/zinc/84/55/97/1075845597.db2.gz	RFLWVNRRKNQJPS-UHFFFAOYSA-N	1	1	410.478	1.843	20	0		HDADMO
COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C	ZINC000429294776	1075846737	/nfs/dbraw/zinc/84/67/37/1075846737.db2.gz	RYQURSDGTHMSBH-REPLKXPHSA-N	1	1	405.539	1.951	20	0		HDADMO
COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C	ZINC000429294776	1075846740	/nfs/dbraw/zinc/84/67/40/1075846740.db2.gz	RYQURSDGTHMSBH-REPLKXPHSA-N	1	1	405.539	1.951	20	0		HDADMO
CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c1	ZINC000611133535	1075849156	/nfs/dbraw/zinc/84/91/56/1075849156.db2.gz	NZGOIDLGURJKGI-ZDUSSCGKSA-N	1	1	405.314	1.998	20	0		HDADMO
CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c1	ZINC000611133535	1075849159	/nfs/dbraw/zinc/84/91/59/1075849159.db2.gz	NZGOIDLGURJKGI-ZDUSSCGKSA-N	1	1	405.314	1.998	20	0		HDADMO
CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1	ZINC000732779557	1075851634	/nfs/dbraw/zinc/85/16/34/1075851634.db2.gz	WDOKONOCWKKALD-CQSZACIVSA-N	1	1	412.531	1.022	20	0		HDADMO
CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000732779557	1075851640	/nfs/dbraw/zinc/85/16/40/1075851640.db2.gz	WDOKONOCWKKALD-CQSZACIVSA-N	1	1	412.531	1.022	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCC[NH+]3CCSCC3)nn2)CC1	ZINC000732777832	1075856870	/nfs/dbraw/zinc/85/68/70/1075856870.db2.gz	YPLYEDMTIUHEMD-UHFFFAOYSA-N	1	1	424.571	1.629	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000560200170	1075858630	/nfs/dbraw/zinc/85/86/30/1075858630.db2.gz	YEQNZWKYKVVBPH-DLBZAZTESA-N	1	1	411.506	2.324	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000560200170	1075858636	/nfs/dbraw/zinc/85/86/36/1075858636.db2.gz	YEQNZWKYKVVBPH-DLBZAZTESA-N	1	1	411.506	2.324	20	0		HDADMO
CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)CC1	ZINC000732780555	1075864159	/nfs/dbraw/zinc/86/41/59/1075864159.db2.gz	KURAKVUDVNTSMU-INIZCTEOSA-N	1	1	424.542	1.165	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)CC1	ZINC000732780555	1075864161	/nfs/dbraw/zinc/86/41/61/1075864161.db2.gz	KURAKVUDVNTSMU-INIZCTEOSA-N	1	1	424.542	1.165	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1	ZINC000732780089	1075864326	/nfs/dbraw/zinc/86/43/26/1075864326.db2.gz	IBWWUTBMAZKWDP-KRWDZBQOSA-N	1	1	414.579	1.827	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000732780089	1075864331	/nfs/dbraw/zinc/86/43/31/1075864331.db2.gz	IBWWUTBMAZKWDP-KRWDZBQOSA-N	1	1	414.579	1.827	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)C2)CC1	ZINC000732781400	1075864702	/nfs/dbraw/zinc/86/47/02/1075864702.db2.gz	QYPHSXAYALEPPT-ICSRJNTNSA-N	1	1	400.523	1.855	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)C2)CC1	ZINC000732781400	1075864706	/nfs/dbraw/zinc/86/47/06/1075864706.db2.gz	QYPHSXAYALEPPT-ICSRJNTNSA-N	1	1	400.523	1.855	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(C(=O)COc2ccc(I)cc2)CC1	ZINC000611165927	1075865228	/nfs/dbraw/zinc/86/52/28/1075865228.db2.gz	JZGJWODEIGQJBU-UHFFFAOYSA-N	1	1	418.275	1.585	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CCCNC(=O)OCc3ccccc3)C2)CC1	ZINC000732780909	1075865306	/nfs/dbraw/zinc/86/53/06/1075865306.db2.gz	NGEZGXHIJMMILR-IBGZPJMESA-N	1	1	402.539	1.978	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CCCNC(=O)OCc3ccccc3)C2)CC1	ZINC000732780909	1075865309	/nfs/dbraw/zinc/86/53/09/1075865309.db2.gz	NGEZGXHIJMMILR-IBGZPJMESA-N	1	1	402.539	1.978	20	0		HDADMO
CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611165913	1075865289	/nfs/dbraw/zinc/86/52/89/1075865289.db2.gz	IMSHDVZJYZXEPT-GOSISDBHSA-N	1	1	407.580	1.762	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=S)N=NC3c3cccs3)C2)CC1	ZINC000732780985	1075865376	/nfs/dbraw/zinc/86/53/76/1075865376.db2.gz	NZYHKBWXTWYGOQ-CYBMUJFWSA-N	1	1	406.581	1.580	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3C(=S)N=NC3c3cccs3)C2)CC1	ZINC000732780985	1075865382	/nfs/dbraw/zinc/86/53/82/1075865382.db2.gz	NZYHKBWXTWYGOQ-CYBMUJFWSA-N	1	1	406.581	1.580	20	0		HDADMO
CC(C)CN(C(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429301869	1075866072	/nfs/dbraw/zinc/86/60/72/1075866072.db2.gz	OXEKGGOQUJUBOZ-HUUCEWRRSA-N	1	1	423.558	1.410	20	0		HDADMO
CC(C)[C@@H](CNC(=O)Nc1nnc(Cc2ccccc2)s1)N1CC[NH+](C)CC1	ZINC000642411905	1075866857	/nfs/dbraw/zinc/86/68/57/1075866857.db2.gz	CECMCMBIRHGIGN-QGZVFWFLSA-N	1	1	402.568	2.522	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732812274	1075873300	/nfs/dbraw/zinc/87/33/00/1075873300.db2.gz	NBQUBMPNGVVYAV-LPHOPBHVSA-N	1	1	401.507	1.955	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732812274	1075873304	/nfs/dbraw/zinc/87/33/04/1075873304.db2.gz	NBQUBMPNGVVYAV-LPHOPBHVSA-N	1	1	401.507	1.955	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)[C@@H]1C[N@H+](C)CCO1	ZINC000611200609	1075876809	/nfs/dbraw/zinc/87/68/09/1075876809.db2.gz	ACQXZRDGGUEYTR-LRDDRELGSA-N	1	1	409.458	1.555	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)[C@@H]1C[N@@H+](C)CCO1	ZINC000611200609	1075876814	/nfs/dbraw/zinc/87/68/14/1075876814.db2.gz	ACQXZRDGGUEYTR-LRDDRELGSA-N	1	1	409.458	1.555	20	0		HDADMO
O=C1C[C@H]([N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C(=O)N1CCc1ccccc1F	ZINC000732818773	1075878744	/nfs/dbraw/zinc/87/87/44/1075878744.db2.gz	IARRTBUBZXUJFY-HKUYNNGSSA-N	1	1	401.482	1.973	20	0		HDADMO
O=C1C[C@H]([N@H+]2CCC[C@H](N3CCCCC3=O)C2)C(=O)N1CCc1ccccc1F	ZINC000732818773	1075878750	/nfs/dbraw/zinc/87/87/50/1075878750.db2.gz	IARRTBUBZXUJFY-HKUYNNGSSA-N	1	1	401.482	1.973	20	0		HDADMO
O=C1C[C@H]([N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C(=O)N1CCc1ccccc1F	ZINC000732818775	1075878830	/nfs/dbraw/zinc/87/88/30/1075878830.db2.gz	IARRTBUBZXUJFY-MJGOQNOKSA-N	1	1	401.482	1.973	20	0		HDADMO
O=C1C[C@H]([N@H+]2CCC[C@@H](N3CCCCC3=O)C2)C(=O)N1CCc1ccccc1F	ZINC000732818775	1075878836	/nfs/dbraw/zinc/87/88/36/1075878836.db2.gz	IARRTBUBZXUJFY-MJGOQNOKSA-N	1	1	401.482	1.973	20	0		HDADMO
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732807757	1075882980	/nfs/dbraw/zinc/88/29/80/1075882980.db2.gz	VKRBASDKCXSFCG-SQNIBIBYSA-N	1	1	401.507	1.808	20	0		HDADMO
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732807757	1075882984	/nfs/dbraw/zinc/88/29/84/1075882984.db2.gz	VKRBASDKCXSFCG-SQNIBIBYSA-N	1	1	401.507	1.808	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H](N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1=O	ZINC000611244230	1075885312	/nfs/dbraw/zinc/88/53/12/1075885312.db2.gz	LKDHHZDISZDKQR-JKSUJKDBSA-N	1	1	420.535	1.054	20	0		HDADMO
CC(C)(C)OC(=O)C1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1	ZINC000611279165	1075890544	/nfs/dbraw/zinc/89/05/44/1075890544.db2.gz	FEMAMVNVBMGJIU-ACBHZAAOSA-N	1	1	424.586	1.593	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000732887204	1075893293	/nfs/dbraw/zinc/89/32/93/1075893293.db2.gz	HUMLDRCEHVDKCD-ROUUACIJSA-N	1	1	407.559	1.116	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000611321430	1075900199	/nfs/dbraw/zinc/90/01/99/1075900199.db2.gz	PBQXPNUMWUNDRU-DLBZAZTESA-N	1	1	403.479	1.775	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1	ZINC000611328065	1075907884	/nfs/dbraw/zinc/90/78/84/1075907884.db2.gz	MCDOETRILUAYLD-ZWKOTPCHSA-N	1	1	410.559	1.014	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000611334118	1075910158	/nfs/dbraw/zinc/91/01/58/1075910158.db2.gz	WGDIVDHWNBERAO-QZTJIDSGSA-N	1	1	423.554	1.138	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Cl	ZINC000611365695	1075914156	/nfs/dbraw/zinc/91/41/56/1075914156.db2.gz	WHRUZCPAXMWYOH-JKSUJKDBSA-N	1	1	409.870	1.123	20	0		HDADMO
CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000611365405	1075920168	/nfs/dbraw/zinc/92/01/68/1075920168.db2.gz	OYZSUCYZMGIQRG-HUUCEWRRSA-N	1	1	409.508	1.229	20	0		HDADMO
C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1	ZINC000732970745	1075928644	/nfs/dbraw/zinc/92/86/44/1075928644.db2.gz	JLQGASVBPNYAQR-HNNXBMFYSA-N	1	1	405.524	1.726	20	0		HDADMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CCO)CCN2CCOCC2)C1	ZINC000489800212	1075931877	/nfs/dbraw/zinc/93/18/77/1075931877.db2.gz	AIOZTRCLWLUXRH-FQEVSTJZSA-N	1	1	418.582	1.755	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1=O	ZINC000733001327	1075933385	/nfs/dbraw/zinc/93/33/85/1075933385.db2.gz	OTKRDQPBFVWZML-WMZOPIPTSA-N	1	1	408.543	1.445	20	0		HDADMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)C1	ZINC000732981639	1075936103	/nfs/dbraw/zinc/93/61/03/1075936103.db2.gz	UHBBCTUTZNAIGI-ZWKOTPCHSA-N	1	1	400.523	1.981	20	0		HDADMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)C1	ZINC000732981639	1075936104	/nfs/dbraw/zinc/93/61/04/1075936104.db2.gz	UHBBCTUTZNAIGI-ZWKOTPCHSA-N	1	1	400.523	1.981	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)C[N@H+](C)CCN3CCCC3=O)CC2)c(F)c1	ZINC000732986019	1075939716	/nfs/dbraw/zinc/93/97/16/1075939716.db2.gz	YGELVGKRLIULIN-UHFFFAOYSA-N	1	1	404.486	1.231	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+](C)CCN3CCCC3=O)CC2)c(F)c1	ZINC000732986019	1075939719	/nfs/dbraw/zinc/93/97/19/1075939719.db2.gz	YGELVGKRLIULIN-UHFFFAOYSA-N	1	1	404.486	1.231	20	0		HDADMO
C[C@@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCC[C@H](C)C1	ZINC000732998544	1075943942	/nfs/dbraw/zinc/94/39/42/1075943942.db2.gz	MHDWRWINWAFFJQ-KBPBESRZSA-N	1	1	410.531	1.670	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733046333	1075952772	/nfs/dbraw/zinc/95/27/72/1075952772.db2.gz	OZIPSQGBNRDBHN-HZPDHXFCSA-N	1	1	414.506	1.966	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733046077	1075953170	/nfs/dbraw/zinc/95/31/70/1075953170.db2.gz	FZEFCZDUYMJHRS-HNNXBMFYSA-N	1	1	400.479	1.578	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)cc1	ZINC000104625845	1075954525	/nfs/dbraw/zinc/95/45/25/1075954525.db2.gz	GEBCICNQWAOOAO-SNVBAGLBSA-N	1	1	410.525	1.447	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733037870	1075960947	/nfs/dbraw/zinc/96/09/47/1075960947.db2.gz	HOYSVCCRTMTQFW-CQSZACIVSA-N	1	1	410.531	1.815	20	0		HDADMO
Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cccc(F)c1	ZINC001079201361	1075966681	/nfs/dbraw/zinc/96/66/81/1075966681.db2.gz	QPZPVKKLAVFXSO-SFFUCWETSA-N	1	1	400.458	1.001	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1=O	ZINC000733136279	1075973168	/nfs/dbraw/zinc/97/31/68/1075973168.db2.gz	WEKNVFYKHXJZFM-QAPCUYQASA-N	1	1	400.479	1.915	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C(=O)OC)c2cc(F)ccc2F)CC1=O	ZINC000733143697	1075975022	/nfs/dbraw/zinc/97/50/22/1075975022.db2.gz	CVSJEHOMFXYREE-MUKKUYKPSA-N	1	1	423.460	1.628	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CCO)CCN1CCOCC1	ZINC000491424131	1075975401	/nfs/dbraw/zinc/97/54/01/1075975401.db2.gz	PHSPPDFPARYYFW-TZIWHRDSSA-N	1	1	404.555	1.233	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCC[C@@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2C)no1	ZINC000506851388	1075977343	/nfs/dbraw/zinc/97/73/43/1075977343.db2.gz	NPPYPYRRLARVMG-RVKKMQEKSA-N	1	1	402.499	1.645	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCC[C@@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2C)no1	ZINC000506851388	1075977346	/nfs/dbraw/zinc/97/73/46/1075977346.db2.gz	NPPYPYRRLARVMG-RVKKMQEKSA-N	1	1	402.499	1.645	20	0		HDADMO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)CC1=O	ZINC000733128544	1075979257	/nfs/dbraw/zinc/97/92/57/1075979257.db2.gz	VMACKEXAJPQBGW-RTBURBONSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)CC1=O	ZINC000733128544	1075979260	/nfs/dbraw/zinc/97/92/60/1075979260.db2.gz	VMACKEXAJPQBGW-RTBURBONSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1=O	ZINC000733129380	1075979568	/nfs/dbraw/zinc/97/95/68/1075979568.db2.gz	XEONHJQTKVRCTK-HZPDHXFCSA-N	1	1	411.506	1.627	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733130539	1075979909	/nfs/dbraw/zinc/97/99/09/1075979909.db2.gz	OXRSQZFMPSWECS-PYCFMQQDSA-N	1	1	421.545	1.996	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O	ZINC000733133858	1075980971	/nfs/dbraw/zinc/98/09/71/1075980971.db2.gz	GDSCIMAGWXIYFR-AEFFLSMTSA-N	1	1	422.570	1.835	20	0		HDADMO
CC(C)(CNC(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12)N1CCOCC1	ZINC000492329931	1075982283	/nfs/dbraw/zinc/98/22/83/1075982283.db2.gz	OGPHMUWUFDNKTI-UHFFFAOYSA-N	1	1	407.580	1.839	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)OC)cc2)CC1=O	ZINC000733147425	1075982691	/nfs/dbraw/zinc/98/26/91/1075982691.db2.gz	NGGPVHGBAMSURV-FUHWJXTLSA-N	1	1	402.495	1.591	20	0		HDADMO
CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1	ZINC001299298068	1075983195	/nfs/dbraw/zinc/98/31/95/1075983195.db2.gz	VZGIVXYZQXARPD-UHFFFAOYSA-N	1	1	424.546	1.412	20	0		HDADMO
C[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001080181745	1075985618	/nfs/dbraw/zinc/98/56/18/1075985618.db2.gz	JLLLEPBVNAAEQP-BLMAIVTKSA-N	1	1	400.519	1.652	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C3N=NC(=S)N3C)C2)CC1=O	ZINC000733152526	1075987838	/nfs/dbraw/zinc/98/78/38/1075987838.db2.gz	ZBOUOGFVTWJAEK-ARFHVFGLSA-N	1	1	420.583	1.143	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000733154480	1075988559	/nfs/dbraw/zinc/98/85/59/1075988559.db2.gz	HZAAVODXJDGPMW-QGZVFWFLSA-N	1	1	414.554	1.048	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000733154480	1075988562	/nfs/dbraw/zinc/98/85/62/1075988562.db2.gz	HZAAVODXJDGPMW-QGZVFWFLSA-N	1	1	414.554	1.048	20	0		HDADMO
Cc1csc2nc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)cc(=O)n12	ZINC001080480764	1075988884	/nfs/dbraw/zinc/98/88/84/1075988884.db2.gz	ACHCCAGUPUIQJU-YFTGLANFSA-N	1	1	402.520	1.568	20	0		HDADMO
Cc1csc2nc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)cc(=O)n12	ZINC001080480764	1075988891	/nfs/dbraw/zinc/98/88/91/1075988891.db2.gz	ACHCCAGUPUIQJU-YFTGLANFSA-N	1	1	402.520	1.568	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1C	ZINC000733156917	1075989236	/nfs/dbraw/zinc/98/92/36/1075989236.db2.gz	KCVKNSPFIBGTTL-QGZVFWFLSA-N	1	1	408.543	1.437	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc3cc(F)ccc3n2C)CC1=O	ZINC000733155146	1075989258	/nfs/dbraw/zinc/98/92/58/1075989258.db2.gz	QZKOMMCCIQIFGO-ZBFHGGJFSA-N	1	1	401.486	1.661	20	0		HDADMO
CN(CCCNC(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12)S(C)(=O)=O	ZINC000492954639	1075989416	/nfs/dbraw/zinc/98/94/16/1075989416.db2.gz	QYHFNAUODDPSAP-UHFFFAOYSA-N	1	1	415.581	1.010	20	0		HDADMO
CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[NH+]1CCN(C)CC1	ZINC000733157075	1075990733	/nfs/dbraw/zinc/99/07/33/1075990733.db2.gz	STNVMACHGCRUMA-INIZCTEOSA-N	1	1	412.556	1.066	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000733170017	1075999746	/nfs/dbraw/zinc/99/97/46/1075999746.db2.gz	INCQNCSDGRCXEK-RBYWHNRPSA-N	1	1	415.517	1.509	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[N@H+]1CC[C@H](C)C1	ZINC001081102014	1076002193	/nfs/dbraw/zinc/00/21/93/1076002193.db2.gz	YPSFBALATULXJE-MZNRPPOFSA-N	1	1	403.567	1.839	20	0		HDADMO
COC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1	ZINC000733196597	1076002416	/nfs/dbraw/zinc/00/24/16/1076002416.db2.gz	DMEKHRPEWVVWHA-LAUBAEHRSA-N	1	1	402.495	1.319	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1	ZINC000733196597	1076002421	/nfs/dbraw/zinc/00/24/21/1076002421.db2.gz	DMEKHRPEWVVWHA-LAUBAEHRSA-N	1	1	402.495	1.319	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Br)CC1	ZINC000733218563	1076013987	/nfs/dbraw/zinc/01/39/87/1076013987.db2.gz	PYHSCFBYAPBYOW-UHFFFAOYSA-N	1	1	402.720	1.972	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)no1	ZINC000514015418	1076015061	/nfs/dbraw/zinc/01/50/61/1076015061.db2.gz	KJHBIAHWGPCUKX-IAOVAPTHSA-N	1	1	404.515	1.247	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959620	1076019946	/nfs/dbraw/zinc/01/99/46/1076019946.db2.gz	PTEZXDNDRKJITF-WQNFENHCSA-N	1	1	413.518	1.127	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959620	1076019951	/nfs/dbraw/zinc/01/99/51/1076019951.db2.gz	PTEZXDNDRKJITF-WQNFENHCSA-N	1	1	413.518	1.127	20	0		HDADMO
COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)cc1C	ZINC001081974882	1076020977	/nfs/dbraw/zinc/02/09/77/1076020977.db2.gz	HGNIVCVIWYWOHF-FSAOVCISSA-N	1	1	404.507	1.371	20	0		HDADMO
COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)cc1C	ZINC001081974882	1076020983	/nfs/dbraw/zinc/02/09/83/1076020983.db2.gz	HGNIVCVIWYWOHF-FSAOVCISSA-N	1	1	404.507	1.371	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC(=O)OCc2ccccc2Cl)CC1=O	ZINC000733282666	1076030714	/nfs/dbraw/zinc/03/07/14/1076030714.db2.gz	JNMUYDMMBLZQBA-SJORKVTESA-N	1	1	421.925	1.832	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=S)NCCNS(C)(=O)=O)cc2)C1	ZINC000727077595	1076039334	/nfs/dbraw/zinc/03/93/34/1076039334.db2.gz	RFDDHVVVQBMINE-IYBDPMFKSA-N	1	1	412.625	1.678	20	0		HDADMO
CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=S)NCCNS(C)(=O)=O	ZINC000727085146	1076041309	/nfs/dbraw/zinc/04/13/09/1076041309.db2.gz	OJGJDNVOSRWWIA-KRWDZBQOSA-N	1	1	412.625	1.473	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)ccc12	ZINC000733368171	1076055010	/nfs/dbraw/zinc/05/50/10/1076055010.db2.gz	SJTDVKUBYCSTLO-HNNXBMFYSA-N	1	1	422.503	1.058	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)c2cccs2)CC1	ZINC000053273487	1076055354	/nfs/dbraw/zinc/05/53/54/1076055354.db2.gz	NBZVEVBZTWTCRM-KRWDZBQOSA-N	1	1	402.520	1.331	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(Br)cn1	ZINC000054887450	1076064598	/nfs/dbraw/zinc/06/45/98/1076064598.db2.gz	VPEFYDPUOCSGRA-ZDUSSCGKSA-N	1	1	411.300	1.353	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(Br)cn1	ZINC000054887450	1076064606	/nfs/dbraw/zinc/06/46/06/1076064606.db2.gz	VPEFYDPUOCSGRA-ZDUSSCGKSA-N	1	1	411.300	1.353	20	0		HDADMO
C[NH+](C)CCN(C(=S)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1	ZINC000727274623	1076091297	/nfs/dbraw/zinc/09/12/97/1076091297.db2.gz	JESSXZLYVUUKDF-OAHLLOKOSA-N	1	1	413.565	1.595	20	0		HDADMO
CN(C(=S)NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccccc2)CC1	ZINC000727288675	1076092565	/nfs/dbraw/zinc/09/25/65/1076092565.db2.gz	IJNDUNLBHMDEPJ-UHFFFAOYSA-N	1	1	404.580	1.820	20	0		HDADMO
C[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(S(N)(=O)=O)c1	ZINC000727317430	1076095952	/nfs/dbraw/zinc/09/59/52/1076095952.db2.gz	PAXGNQLWPMBSOO-GFCCVEGCSA-N	1	1	411.505	1.027	20	0		HDADMO
CCC[N@H+]1Cc2cccc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c2C1	ZINC000727343013	1076097310	/nfs/dbraw/zinc/09/73/10/1076097310.db2.gz	XBHCZUJEATVMSV-HNNXBMFYSA-N	1	1	418.519	1.516	20	0		HDADMO
CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1	ZINC000727375728	1076100703	/nfs/dbraw/zinc/10/07/03/1076100703.db2.gz	UMCLIONUTLMSNK-NHCUHLMSSA-N	1	1	414.550	1.930	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)NC(=O)N[C@H]1C	ZINC000727385094	1076102715	/nfs/dbraw/zinc/10/27/15/1076102715.db2.gz	XUDBZAOZCSIPMZ-YJBOKZPZSA-N	1	1	402.495	1.168	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc(Cl)nc(N(C)C)c2)C1	ZINC000733574650	1076124704	/nfs/dbraw/zinc/12/47/04/1076124704.db2.gz	LCTZLGSIIYDKJY-OAHLLOKOSA-N	1	1	412.918	1.431	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCCS(=O)(=O)C(C)(C)C)cc2)CC1	ZINC000733627481	1076131672	/nfs/dbraw/zinc/13/16/72/1076131672.db2.gz	LMBMHRGGNJOXRW-UHFFFAOYSA-N	1	1	424.567	1.799	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H](OC)C(F)(F)F	ZINC000733627084	1076131744	/nfs/dbraw/zinc/13/17/44/1076131744.db2.gz	DSBWEJDMNXGZBR-OAHLLOKOSA-N	1	1	418.416	1.782	20	0		HDADMO
CO[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000733672910	1076155176	/nfs/dbraw/zinc/15/51/76/1076155176.db2.gz	AHYZNEARKKOYBY-HEHGZKQESA-N	1	1	417.428	1.928	20	0		HDADMO
CO[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C(F)(F)F	ZINC000733674423	1076156132	/nfs/dbraw/zinc/15/61/32/1076156132.db2.gz	NNGHRROBSJUPMJ-OAHLLOKOSA-N	1	1	403.401	1.193	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCSC(C)(C)C)cc2)CC1	ZINC000727622008	1076188292	/nfs/dbraw/zinc/18/82/92/1076188292.db2.gz	XEOXPQDBTZWXKO-UHFFFAOYSA-N	1	1	406.552	1.661	20	0		HDADMO
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1	ZINC000727727694	1076213040	/nfs/dbraw/zinc/21/30/40/1076213040.db2.gz	OYGQBXKLMSHRBH-WMZOPIPTSA-N	1	1	424.586	1.938	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1	ZINC000022693323	1076218774	/nfs/dbraw/zinc/21/87/74/1076218774.db2.gz	VHQTWKOPJFLPSB-GOSISDBHSA-N	1	1	411.568	1.445	20	0		HDADMO
CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[NH+]1CCOCC1	ZINC000727766126	1076219492	/nfs/dbraw/zinc/21/94/92/1076219492.db2.gz	PAWQUZWFZROZAV-HSALFYBXSA-N	1	1	419.522	1.231	20	0		HDADMO
CC(C)(CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[N@H+]1CCc2ccccc2C1	ZINC000727768138	1076221629	/nfs/dbraw/zinc/22/16/29/1076221629.db2.gz	XNYMOTHGCWPZQW-IBGZPJMESA-N	1	1	414.531	1.670	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1	ZINC000727752278	1076225498	/nfs/dbraw/zinc/22/54/98/1076225498.db2.gz	HQXGRMDQJJXRFH-LJQANCHMSA-N	1	1	400.504	1.369	20	0		HDADMO
CON(C)S(=O)(=O)c1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1Cl	ZINC000733879275	1076237349	/nfs/dbraw/zinc/23/73/49/1076237349.db2.gz	UHRSYHOOCXYLJO-UHFFFAOYSA-N	1	1	415.903	1.251	20	0		HDADMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1	ZINC000733882432	1076238130	/nfs/dbraw/zinc/23/81/30/1076238130.db2.gz	MGTKKTNIENGNDZ-UHFFFAOYSA-N	1	1	416.975	1.252	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)no1	ZINC000532805065	1076239231	/nfs/dbraw/zinc/23/92/31/1076239231.db2.gz	ZHHBWLYDKRUJOE-ROUUACIJSA-N	1	1	403.527	1.988	20	0		HDADMO
CO[C@@]1(C)CCCN(c2nnc([C@H]3CCOC3)n2CCC[NH+]2CCOCC2)CC1	ZINC001299764163	1076241135	/nfs/dbraw/zinc/24/11/35/1076241135.db2.gz	OSRCYSIENSIBET-RXVVDRJESA-N	1	1	407.559	1.900	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(-n4cncn4)c(F)c3)C2)no1	ZINC000533269562	1076242688	/nfs/dbraw/zinc/24/26/88/1076242688.db2.gz	XKODYLUSJBHANX-MRXNPFEDSA-N	1	1	413.457	1.975	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)C2)no1	ZINC000533269562	1076242695	/nfs/dbraw/zinc/24/26/95/1076242695.db2.gz	XKODYLUSJBHANX-MRXNPFEDSA-N	1	1	413.457	1.975	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000533832424	1076245465	/nfs/dbraw/zinc/24/54/65/1076245465.db2.gz	LMFOZYFLQYYQIY-LJQANCHMSA-N	1	1	403.504	1.528	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000533832424	1076245467	/nfs/dbraw/zinc/24/54/67/1076245467.db2.gz	LMFOZYFLQYYQIY-LJQANCHMSA-N	1	1	403.504	1.528	20	0		HDADMO
CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000534183910	1076246946	/nfs/dbraw/zinc/24/69/46/1076246946.db2.gz	OBGPMCJEAGBWSR-SFTDATJTSA-N	1	1	416.543	1.844	20	0		HDADMO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000535267006	1076250589	/nfs/dbraw/zinc/25/05/89/1076250589.db2.gz	AIQWUXCFQBCPBW-DYVFJYSZSA-N	1	1	405.524	1.007	20	0		HDADMO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535267006	1076250590	/nfs/dbraw/zinc/25/05/90/1076250590.db2.gz	AIQWUXCFQBCPBW-DYVFJYSZSA-N	1	1	405.524	1.007	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1	ZINC000535274321	1076251089	/nfs/dbraw/zinc/25/10/89/1076251089.db2.gz	BXQUJGOJFQLVTI-MOPGFXCFSA-N	1	1	420.469	1.220	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1	ZINC000535274321	1076251093	/nfs/dbraw/zinc/25/10/93/1076251093.db2.gz	BXQUJGOJFQLVTI-MOPGFXCFSA-N	1	1	420.469	1.220	20	0		HDADMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)C1	ZINC000535388799	1076252727	/nfs/dbraw/zinc/25/27/27/1076252727.db2.gz	RHIRMEICIQWIGX-KRWDZBQOSA-N	1	1	417.579	1.908	20	0		HDADMO
COc1ccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1S(=O)(=O)N(C)C	ZINC000536031941	1076254234	/nfs/dbraw/zinc/25/42/34/1076254234.db2.gz	GPXZQNFJQMEEBW-KRWDZBQOSA-N	1	1	403.504	1.862	20	0		HDADMO
COc1ccc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1S(=O)(=O)N(C)C	ZINC000536031941	1076254238	/nfs/dbraw/zinc/25/42/38/1076254238.db2.gz	GPXZQNFJQMEEBW-KRWDZBQOSA-N	1	1	403.504	1.862	20	0		HDADMO
COc1c(F)cc(CC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1S(N)(=O)=O	ZINC000536035650	1076254610	/nfs/dbraw/zinc/25/46/10/1076254610.db2.gz	MHJGGQZZUZFIRJ-MRXNPFEDSA-N	1	1	407.467	1.327	20	0		HDADMO
COc1c(F)cc(CC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1S(N)(=O)=O	ZINC000536035650	1076254614	/nfs/dbraw/zinc/25/46/14/1076254614.db2.gz	MHJGGQZZUZFIRJ-MRXNPFEDSA-N	1	1	407.467	1.327	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000144321638	1076256104	/nfs/dbraw/zinc/25/61/04/1076256104.db2.gz	KNBQZPIFBNZDNN-JKSUJKDBSA-N	1	1	416.522	1.380	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000144321638	1076256106	/nfs/dbraw/zinc/25/61/06/1076256106.db2.gz	KNBQZPIFBNZDNN-JKSUJKDBSA-N	1	1	416.522	1.380	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+]C2(C(=O)NC)CCCC2)NC(=O)N[C@H]1c1ccccc1	ZINC000733896504	1076256485	/nfs/dbraw/zinc/25/64/85/1076256485.db2.gz	GFLADWNZSFPLBR-KRWDZBQOSA-N	1	1	400.479	1.506	20	0		HDADMO
COCCS(=O)(=O)CCC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000727828106	1076263003	/nfs/dbraw/zinc/26/30/03/1076263003.db2.gz	LFQIQUWLNVERAD-UHFFFAOYSA-N	1	1	400.516	1.605	20	0		HDADMO
CCCOC(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000727834846	1076265292	/nfs/dbraw/zinc/26/52/92/1076265292.db2.gz	CMZVLYWMIHXDKG-GOSISDBHSA-N	1	1	423.535	1.356	20	0		HDADMO
CCCOC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000727834846	1076265298	/nfs/dbraw/zinc/26/52/98/1076265298.db2.gz	CMZVLYWMIHXDKG-GOSISDBHSA-N	1	1	423.535	1.356	20	0		HDADMO
Cn1ncc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1I	ZINC000379137905	1076265770	/nfs/dbraw/zinc/26/57/70/1076265770.db2.gz	YZLIYTQBWKBELZ-LBPRGKRZSA-N	1	1	418.279	1.352	20	0		HDADMO
COCCN(CC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000733916098	1076267999	/nfs/dbraw/zinc/26/79/99/1076267999.db2.gz	BUYPLUMTFNDMIM-IYBDPMFKSA-N	1	1	401.548	1.874	20	0		HDADMO
COCCN(CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000733916098	1076268006	/nfs/dbraw/zinc/26/80/06/1076268006.db2.gz	BUYPLUMTFNDMIM-IYBDPMFKSA-N	1	1	401.548	1.874	20	0		HDADMO
COc1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)cn1	ZINC000733932507	1076268876	/nfs/dbraw/zinc/26/88/76/1076268876.db2.gz	SLNLSMOVHRGWOT-UHFFFAOYSA-N	1	1	405.480	1.064	20	0		HDADMO
COc1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)cn1	ZINC000733932507	1076268881	/nfs/dbraw/zinc/26/88/81/1076268881.db2.gz	SLNLSMOVHRGWOT-UHFFFAOYSA-N	1	1	405.480	1.064	20	0		HDADMO
O=C(CCn1cc[nH]c(=O)c1=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000727848575	1076270560	/nfs/dbraw/zinc/27/05/60/1076270560.db2.gz	LFZMUAZAFZKVOG-UHFFFAOYSA-N	1	1	424.423	1.680	20	0		HDADMO
O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)c2csc3cncn32)c1	ZINC000733924595	1076271451	/nfs/dbraw/zinc/27/14/51/1076271451.db2.gz	PYMZXNWHBBXDPE-UHFFFAOYSA-N	1	1	413.503	1.987	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1	ZINC000733974847	1076280033	/nfs/dbraw/zinc/28/00/33/1076280033.db2.gz	DOSAMZFIBODKPJ-MRXNPFEDSA-N	1	1	413.305	1.767	20	0		HDADMO
COC(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)CC1	ZINC000727946813	1076293244	/nfs/dbraw/zinc/29/32/44/1076293244.db2.gz	PGIBLNFDVDSXQS-HNNXBMFYSA-N	1	1	402.495	1.896	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCCCC3)cc2)CC1	ZINC000727949883	1076295176	/nfs/dbraw/zinc/29/51/76/1076295176.db2.gz	YPGNNFAAJWSHAU-HXUWFJFHSA-N	1	1	402.539	1.824	20	0		HDADMO
C[C@](O)(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1	ZINC000734079366	1076304484	/nfs/dbraw/zinc/30/44/84/1076304484.db2.gz	UPKHAEJWXKSQDJ-QHCPKHFHSA-N	1	1	411.502	1.524	20	0		HDADMO
Cc1ccccc1[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000728042583	1076317827	/nfs/dbraw/zinc/31/78/27/1076317827.db2.gz	MJXMQNMUQILCQM-JTSKRJEESA-N	1	1	414.506	1.290	20	0		HDADMO
Cc1ccccc1[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000728042583	1076317830	/nfs/dbraw/zinc/31/78/30/1076317830.db2.gz	MJXMQNMUQILCQM-JTSKRJEESA-N	1	1	414.506	1.290	20	0		HDADMO
COCCCNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)CC1	ZINC000728045666	1076318533	/nfs/dbraw/zinc/31/85/33/1076318533.db2.gz	WINZWFJAOIXFGK-JOCHJYFZSA-N	1	1	416.522	1.584	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000728052913	1076320039	/nfs/dbraw/zinc/32/00/39/1076320039.db2.gz	NESDJMXCJDUCAH-KRWDZBQOSA-N	1	1	419.547	1.899	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000728052913	1076320049	/nfs/dbraw/zinc/32/00/49/1076320049.db2.gz	NESDJMXCJDUCAH-KRWDZBQOSA-N	1	1	419.547	1.899	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@H](C3OCCO3)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000728053444	1076320331	/nfs/dbraw/zinc/32/03/31/1076320331.db2.gz	KGPDMICSKZXDQR-QFBILLFUSA-N	1	1	415.490	1.895	20	0		HDADMO
COc1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)CC2)cc1	ZINC000728053063	1076321100	/nfs/dbraw/zinc/32/11/00/1076321100.db2.gz	GOVLBNUPRJTVBB-LJQANCHMSA-N	1	1	403.523	1.424	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)NCc1ccccc1CN1CCCC1=O	ZINC000728054615	1076321630	/nfs/dbraw/zinc/32/16/30/1076321630.db2.gz	XSZRNOFBWXAZGG-IBGZPJMESA-N	1	1	401.507	1.510	20	0		HDADMO
C[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@@H]1CCCO1	ZINC000728055538	1076322489	/nfs/dbraw/zinc/32/24/89/1076322489.db2.gz	UDVCYUHFIHODKC-QLTJYVKOSA-N	1	1	407.536	1.242	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@@H]1CCCO1	ZINC000728055538	1076322494	/nfs/dbraw/zinc/32/24/94/1076322494.db2.gz	UDVCYUHFIHODKC-QLTJYVKOSA-N	1	1	407.536	1.242	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000728072593	1076332520	/nfs/dbraw/zinc/33/25/20/1076332520.db2.gz	DVSNVBYBHUILKU-ZIAGYGMSSA-N	1	1	422.448	1.209	20	0		HDADMO
Cc1cc(C)c(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)c(C)c1	ZINC000728078476	1076334736	/nfs/dbraw/zinc/33/47/36/1076334736.db2.gz	ZZGWBSULEDQKNJ-RTBURBONSA-N	1	1	414.550	1.668	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000728134692	1076339580	/nfs/dbraw/zinc/33/95/80/1076339580.db2.gz	JSBCCTSULASEKG-QGZVFWFLSA-N	1	1	422.501	1.074	20	0		HDADMO
C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000728162743	1076351445	/nfs/dbraw/zinc/35/14/45/1076351445.db2.gz	XUHZHTUNYHMCEN-QFIPXVFZSA-N	1	1	407.474	1.193	20	0		HDADMO
COc1ccc(CN2CC[NH+](CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1F	ZINC000027363994	1076359516	/nfs/dbraw/zinc/35/95/16/1076359516.db2.gz	XTWSDSNDNQQRJH-UHFFFAOYSA-N	1	1	423.510	1.678	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C	ZINC000028011531	1076360759	/nfs/dbraw/zinc/36/07/59/1076360759.db2.gz	GZXGDAJVWAIKHN-SFHVURJKSA-N	1	1	411.568	1.445	20	0		HDADMO
O=C(CSc1nnnn1C[C@@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000029629795	1076363043	/nfs/dbraw/zinc/36/30/43/1076363043.db2.gz	JXVFGBHGUDEBFM-INIZCTEOSA-N	1	1	424.571	1.096	20	0		HDADMO
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C3OCCO3)CC2)C1	ZINC000728173449	1076364861	/nfs/dbraw/zinc/36/48/61/1076364861.db2.gz	YXKXNBOJMNTSRS-MJGOQNOKSA-N	1	1	407.555	1.711	20	0		HDADMO
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCCC[C@H]3C3OCCO3)CC2)C1	ZINC000728173449	1076364865	/nfs/dbraw/zinc/36/48/65/1076364865.db2.gz	YXKXNBOJMNTSRS-MJGOQNOKSA-N	1	1	407.555	1.711	20	0		HDADMO
S=c1n(CN2CC[NH+](CCOc3ccccc3)CC2)nnn1C1CCOCC1	ZINC000729982216	1076406453	/nfs/dbraw/zinc/40/64/53/1076406453.db2.gz	SHEZJPIYMSRPRM-UHFFFAOYSA-N	1	1	404.540	1.815	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1	ZINC000729984065	1076407510	/nfs/dbraw/zinc/40/75/10/1076407510.db2.gz	VQUNBEXVRXQAFP-AWEZNQCLSA-N	1	1	403.932	1.431	20	0		HDADMO
O=C(c1cn(-c2ccccc2Br)nn1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000730087605	1076441438	/nfs/dbraw/zinc/44/14/38/1076441438.db2.gz	WNGWOCJSVZTTTH-SJORKVTESA-N	1	1	420.311	1.701	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1F	ZINC000730086967	1076441501	/nfs/dbraw/zinc/44/15/01/1076441501.db2.gz	STFGLKVOQXKHNQ-UHFFFAOYSA-N	1	1	415.531	1.385	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000730106029	1076458526	/nfs/dbraw/zinc/45/85/26/1076458526.db2.gz	QLLXLFYVZKHYRG-VBQJREDUSA-N	1	1	415.538	1.521	20	0		HDADMO
CC(C)(C)CN(CCO)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000730118795	1076463107	/nfs/dbraw/zinc/46/31/07/1076463107.db2.gz	MLGQNNDAQIEPBA-UHFFFAOYSA-N	1	1	400.564	1.979	20	0		HDADMO
Cc1csc(=NCc2ccc(S(N)(=O)=O)cc2)n1[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000730141616	1076467584	/nfs/dbraw/zinc/46/75/84/1076467584.db2.gz	OEISTCPXZJLCLQ-HNNXBMFYSA-N	1	1	423.608	1.415	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1	ZINC000730219281	1076481348	/nfs/dbraw/zinc/48/13/48/1076481348.db2.gz	YIBSSCRUSBSSPD-UXHICEINSA-N	1	1	412.534	1.622	20	0		HDADMO
COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)c(=O)oc2c1	ZINC000730228754	1076485578	/nfs/dbraw/zinc/48/55/78/1076485578.db2.gz	XMHVXAKWLIHVQU-HNNXBMFYSA-N	1	1	401.507	1.795	20	0		HDADMO
CCCNC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1	ZINC000730252948	1076498538	/nfs/dbraw/zinc/49/85/38/1076498538.db2.gz	OCCYYRBMTSQPJE-JTSKRJEESA-N	1	1	416.522	1.744	20	0		HDADMO
CCCNC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1	ZINC000730252948	1076498540	/nfs/dbraw/zinc/49/85/40/1076498540.db2.gz	OCCYYRBMTSQPJE-JTSKRJEESA-N	1	1	416.522	1.744	20	0		HDADMO
O=C(C[NH+]1CCC(CCO)CC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730260189	1076502060	/nfs/dbraw/zinc/50/20/60/1076502060.db2.gz	CQRGNQVKYBDMND-UHFFFAOYSA-N	1	1	408.524	1.190	20	0		HDADMO
NC(=O)C[NH+]1CCC(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1	ZINC000730274198	1076517197	/nfs/dbraw/zinc/51/71/97/1076517197.db2.gz	MBTQVRVILMHHJQ-UHFFFAOYSA-N	1	1	421.567	1.878	20	0		HDADMO
O=C(CCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)N1CCOc2ccccc21	ZINC000730277274	1076519810	/nfs/dbraw/zinc/51/98/10/1076519810.db2.gz	LTLNZJZYWRHMQO-GOSISDBHSA-N	1	1	401.507	1.906	20	0		HDADMO
Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1	ZINC001006214256	1076546819	/nfs/dbraw/zinc/54/68/19/1076546819.db2.gz	HQVMSWDGHKTQMU-FYNNLBNCSA-N	1	1	403.527	1.422	20	0		HDADMO
Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1	ZINC001006214256	1076546824	/nfs/dbraw/zinc/54/68/24/1076546824.db2.gz	HQVMSWDGHKTQMU-FYNNLBNCSA-N	1	1	403.527	1.422	20	0		HDADMO
C[C@@H](SCCS(C)(=O)=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000730466320	1076580314	/nfs/dbraw/zinc/58/03/14/1076580314.db2.gz	JSFXTJKJMNYXTP-OAHLLOKOSA-N	1	1	400.566	1.301	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1	ZINC000730538870	1076585334	/nfs/dbraw/zinc/58/53/34/1076585334.db2.gz	ASYBAIWGOLUWFF-VAMGGRTRSA-N	1	1	421.563	1.208	20	0		HDADMO
CC(=O)[C@H]1CC(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)=NN1c1ccccc1	ZINC000730559725	1076595068	/nfs/dbraw/zinc/59/50/68/1076595068.db2.gz	JQRPSWGQSMNBHB-RBBKRZOGSA-N	1	1	411.550	1.839	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C(C)C)cc1	ZINC000730568048	1076604164	/nfs/dbraw/zinc/60/41/64/1076604164.db2.gz	ARQDPFYZVGPRGY-APWZRJJASA-N	1	1	407.511	1.342	20	0		HDADMO
Cc1ccc([C@@H](CN2CCOCC2)NC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000730599187	1076611143	/nfs/dbraw/zinc/61/11/43/1076611143.db2.gz	DBZOOPONNCQPMY-HXUWFJFHSA-N	1	1	406.596	1.555	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(-c3ncon3)cc2)C1	ZINC000730626683	1076615342	/nfs/dbraw/zinc/61/53/42/1076615342.db2.gz	XDRWXANYZKKCAA-QGZVFWFLSA-N	1	1	402.451	1.366	20	0		HDADMO
CN1CCN(c2ccccc2NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1	ZINC000730682307	1076632692	/nfs/dbraw/zinc/63/26/92/1076632692.db2.gz	UAAOFXYBLDDCLC-UHFFFAOYSA-N	1	1	424.549	1.362	20	0		HDADMO
CN(C[C@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000730803538	1076655013	/nfs/dbraw/zinc/65/50/13/1076655013.db2.gz	JZHKACOUPXXKNM-DENIHFKCSA-N	1	1	400.523	1.889	20	0		HDADMO
C[N@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O	ZINC000730804617	1076655636	/nfs/dbraw/zinc/65/56/36/1076655636.db2.gz	WIBXUUSYFWTXOE-IIBYNOLFSA-N	1	1	403.479	1.974	20	0		HDADMO
C[N@@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O	ZINC000730804617	1076655639	/nfs/dbraw/zinc/65/56/39/1076655639.db2.gz	WIBXUUSYFWTXOE-IIBYNOLFSA-N	1	1	403.479	1.974	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)C1	ZINC000730788466	1076658356	/nfs/dbraw/zinc/65/83/56/1076658356.db2.gz	UJJULHQSSPRRTP-INIZCTEOSA-N	1	1	408.458	1.542	20	0		HDADMO
C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C[C@H]1CCCOC1	ZINC000730808653	1076665227	/nfs/dbraw/zinc/66/52/27/1076665227.db2.gz	QUVIXRQBLKVYSR-OAHLLOKOSA-N	1	1	408.524	1.454	20	0		HDADMO
CC(C)(C)OC(=O)NCCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000730970635	1076701642	/nfs/dbraw/zinc/70/16/42/1076701642.db2.gz	KSAWXIGCABATJS-SFHVURJKSA-N	1	1	418.538	1.915	20	0		HDADMO
COC(=O)N(C)CCCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000730970393	1076701722	/nfs/dbraw/zinc/70/17/22/1076701722.db2.gz	DYLCCQLQWZJXMT-GOSISDBHSA-N	1	1	404.511	1.479	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3Cc4ccccc4C(=O)O3)c2)C1	ZINC000730971387	1076702004	/nfs/dbraw/zinc/70/20/04/1076702004.db2.gz	WEWCTMSYNIVLHQ-PZJWPPBQSA-N	1	1	421.497	1.782	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cccnc3-n3cccn3)c2)C1	ZINC000730971524	1076702098	/nfs/dbraw/zinc/70/20/98/1076702098.db2.gz	YVLCYLIDZPFSCL-LJQANCHMSA-N	1	1	418.501	1.895	20	0		HDADMO
CN(CC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(=O)OC(C)(C)C	ZINC000731008733	1076709737	/nfs/dbraw/zinc/70/97/37/1076709737.db2.gz	PMXVKZJPGPYGNL-SFHVURJKSA-N	1	1	418.538	1.867	20	0		HDADMO
CCOC(=O)N[C@@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)C	ZINC000731008886	1076710047	/nfs/dbraw/zinc/71/00/47/1076710047.db2.gz	VTBWQTDHPCSAHI-RTBURBONSA-N	1	1	418.538	1.771	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2F)C[C@@H](C)O1	ZINC000731133533	1076736630	/nfs/dbraw/zinc/73/66/30/1076736630.db2.gz	BDDPMHNLEPXMSK-RKVPGOIHSA-N	1	1	418.513	1.978	20	0		HDADMO
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000731135340	1076737602	/nfs/dbraw/zinc/73/76/02/1076737602.db2.gz	YQULXDLRAVEWDU-GFCCVEGCSA-N	1	1	401.435	1.222	20	0		HDADMO
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000731135340	1076737604	/nfs/dbraw/zinc/73/76/04/1076737604.db2.gz	YQULXDLRAVEWDU-GFCCVEGCSA-N	1	1	401.435	1.222	20	0		HDADMO
CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)CC1	ZINC001164614700	719022197	/nfs/dbraw/zinc/02/21/97/719022197.db2.gz	WZFWYZJMYVVXJK-UHFFFAOYSA-N	1	1	416.570	1.472	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4[nH]cc(C)c43)CC2)C1=O	ZINC001164635487	719271861	/nfs/dbraw/zinc/27/18/61/719271861.db2.gz	RMNPKFYNVNPVCY-UHFFFAOYSA-N	1	1	406.918	1.679	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4[nH]cc(C)c43)CC2)C1=O	ZINC001164635487	719271867	/nfs/dbraw/zinc/27/18/67/719271867.db2.gz	RMNPKFYNVNPVCY-UHFFFAOYSA-N	1	1	406.918	1.679	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCCn4nnc(COc5cccnc5)c4C3)n2)CC1	ZINC001164652553	719328164	/nfs/dbraw/zinc/32/81/64/719328164.db2.gz	CDGJFNPRBHVPON-UHFFFAOYSA-N	1	1	421.509	1.204	20	0		HDADMO
C[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)C[C@@H]21	ZINC001164671502	719409660	/nfs/dbraw/zinc/40/96/60/719409660.db2.gz	PSIJYTPCHXXACQ-ZWKOTPCHSA-N	1	1	402.520	1.857	20	0		HDADMO
C[N@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@H]21	ZINC001164674837	719441050	/nfs/dbraw/zinc/44/10/50/719441050.db2.gz	XQDRAFPXXLFDFA-CVEARBPZSA-N	1	1	415.563	1.531	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(CC3)CN(c3ccccc3)C(=O)CO4)n2)CC1	ZINC001164695437	719836877	/nfs/dbraw/zinc/83/68/77/719836877.db2.gz	MXMKDWCYRPDWMB-UHFFFAOYSA-N	1	1	422.533	1.631	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ncccc21	ZINC001164697363	719844169	/nfs/dbraw/zinc/84/41/69/719844169.db2.gz	CUZRFGIUAULVDZ-BFUOFWGJSA-N	1	1	405.886	1.911	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c(OC)cccc21	ZINC001164702678	719845216	/nfs/dbraw/zinc/84/52/16/719845216.db2.gz	OWBRSESURXIJOM-QVKFZJNVSA-N	1	1	400.479	1.871	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ccn2C	ZINC001164698084	719848953	/nfs/dbraw/zinc/84/89/53/719848953.db2.gz	FDKFUJCKVWTNLB-BFUOFWGJSA-N	1	1	407.902	1.854	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(OC)c2ccccc21	ZINC001164706793	719867847	/nfs/dbraw/zinc/86/78/47/719867847.db2.gz	QMDDNULVAHTHQB-YCRPNKLZSA-N	1	1	400.479	1.871	20	0		HDADMO
NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1	ZINC001164695750	719890556	/nfs/dbraw/zinc/89/05/56/719890556.db2.gz	UXJCZOQTCIXKGZ-UHFFFAOYSA-N	1	1	408.549	1.662	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)C2	ZINC001164819928	720171524	/nfs/dbraw/zinc/17/15/24/720171524.db2.gz	YYJBGRDJLAPVSM-UTKZUKDTSA-N	1	1	420.579	1.707	20	0		HDADMO
Cn1nnc2c1CCN(c1n[nH]c(Cl)c3ncnc1-3)[C@H]2COCC[NH+]1CCCC1	ZINC001164715470	720188239	/nfs/dbraw/zinc/18/82/39/720188239.db2.gz	CQJPBTDIHDEMPE-ZDUSSCGKSA-N	1	1	417.905	1.351	20	0		HDADMO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CNCC3)CCC2	ZINC001164813403	720208572	/nfs/dbraw/zinc/20/85/72/720208572.db2.gz	PIHNZUQYGVYRAR-UHFFFAOYSA-N	1	1	417.945	1.583	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CNCC3)CCC2	ZINC001164813403	720208587	/nfs/dbraw/zinc/20/85/87/720208587.db2.gz	PIHNZUQYGVYRAR-UHFFFAOYSA-N	1	1	417.945	1.583	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1	ZINC001164718849	720221410	/nfs/dbraw/zinc/22/14/10/720221410.db2.gz	NFLZULKWASQRJM-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1	ZINC001164718849	720221421	/nfs/dbraw/zinc/22/14/21/720221421.db2.gz	NFLZULKWASQRJM-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CCOC(=O)c1cncc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164814742	720221656	/nfs/dbraw/zinc/22/16/56/720221656.db2.gz	XSNYMICVHSWIOB-UHFFFAOYSA-N	1	1	400.483	1.461	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164813947	720225680	/nfs/dbraw/zinc/22/56/80/720225680.db2.gz	PRYDOGYQUHZSQI-UHFFFAOYSA-N	1	1	420.901	1.724	20	0		HDADMO
COc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc2c1ccn2C	ZINC001164817705	720245898	/nfs/dbraw/zinc/24/58/98/720245898.db2.gz	UEMFFWWZOYTHSB-UHFFFAOYSA-N	1	1	411.510	1.784	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(SCC(=O)OC)n3)C2)C1	ZINC001164724233	720275405	/nfs/dbraw/zinc/27/54/05/720275405.db2.gz	ZXDHJSXJALPGNU-HXUWFJFHSA-N	1	1	422.551	1.012	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cccc(SCC(=O)OC)n3)C2)C1	ZINC001164724233	720275411	/nfs/dbraw/zinc/27/54/11/720275411.db2.gz	ZXDHJSXJALPGNU-HXUWFJFHSA-N	1	1	422.551	1.012	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1	ZINC001164722291	720292785	/nfs/dbraw/zinc/29/27/85/720292785.db2.gz	PKAMKFHZALAHEF-HXUWFJFHSA-N	1	1	407.946	1.981	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1	ZINC001164722291	720292793	/nfs/dbraw/zinc/29/27/93/720292793.db2.gz	PKAMKFHZALAHEF-HXUWFJFHSA-N	1	1	407.946	1.981	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CCCn4nnc(Cn5ccnc5)c4C3)c2)CC1	ZINC001164829386	720398849	/nfs/dbraw/zinc/39/88/49/720398849.db2.gz	MURHKVKAJDCDLK-UHFFFAOYSA-N	1	1	408.510	1.801	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cnc3C(N)=O)CC[C@@H]21	ZINC001164842445	720529574	/nfs/dbraw/zinc/52/95/74/720529574.db2.gz	XKXPXNNJTUKBIW-ILXRZTDVSA-N	1	1	403.918	1.803	20	0		HDADMO
COC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164745730	720636459	/nfs/dbraw/zinc/63/64/59/720636459.db2.gz	WEJGLENKKSYFLZ-HZPDHXFCSA-N	1	1	406.446	1.548	20	0		HDADMO
COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncc2c1	ZINC001164738721	720639588	/nfs/dbraw/zinc/63/95/88/720639588.db2.gz	DEWPYJMRZDNWAM-DLBZAZTESA-N	1	1	406.446	1.548	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(S(N)(=O)=O)cc3F)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164844243	720647739	/nfs/dbraw/zinc/64/77/39/720647739.db2.gz	ZIDMCKATTCVDLR-RLFYNMQTSA-N	1	1	422.530	1.442	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737620	720694058	/nfs/dbraw/zinc/69/40/58/720694058.db2.gz	GPNVMDFIYNWUFZ-IRXDYDNUSA-N	1	1	420.473	1.938	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@@H]43)c2)CC1	ZINC001164848202	720804354	/nfs/dbraw/zinc/80/43/54/720804354.db2.gz	PECDNVRTSRPBIZ-AABGKKOBSA-N	1	1	400.523	1.675	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164744780	720812670	/nfs/dbraw/zinc/81/26/70/720812670.db2.gz	ILHMYZZUXXEDJE-SZVBFZGTSA-N	1	1	414.485	1.978	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1N	ZINC001164740171	720820921	/nfs/dbraw/zinc/82/09/21/720820921.db2.gz	JJQWPHCOIMLMGE-GPMSIDNRSA-N	1	1	411.510	1.421	20	0		HDADMO
NC(=O)c1ncc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164737981	720822632	/nfs/dbraw/zinc/82/26/32/720822632.db2.gz	CVXVEFIYXSPPRL-SOUVJXGZSA-N	1	1	416.917	1.200	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cn1	ZINC001164738797	720826018	/nfs/dbraw/zinc/82/60/18/720826018.db2.gz	GSUSEGBFHOXODR-ZIFCJYIRSA-N	1	1	411.510	1.624	20	0		HDADMO
O=C1COc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2N1	ZINC001164738019	720828047	/nfs/dbraw/zinc/82/80/47/720828047.db2.gz	DOXFIRCJZQBSIU-JFIYKMOQSA-N	1	1	409.494	1.383	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164743052	720835020	/nfs/dbraw/zinc/83/50/20/720835020.db2.gz	IJIXMWDKWHQEBH-QLFBSQMISA-N	1	1	416.917	1.200	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CCCCC3)CC[C@@H]2C1	ZINC001164856557	720836173	/nfs/dbraw/zinc/83/61/73/720836173.db2.gz	WTWYCQUFFYPKGT-UYAOXDASSA-N	1	1	402.539	1.881	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)CC[C@H]2C1	ZINC001164853241	720846962	/nfs/dbraw/zinc/84/69/62/720846962.db2.gz	NGJFQXJVPOKGCO-JKSUJKDBSA-N	1	1	407.515	1.997	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)N(C)OC)cc(Cl)n3)CC[C@H]2C1	ZINC001164854055	720858256	/nfs/dbraw/zinc/85/82/56/720858256.db2.gz	INTQGKAVXCZGMM-GOEBONIOSA-N	1	1	412.918	1.542	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3c(Cl)nc(Cl)nc3C(N)=O)CC[C@@H]2C1	ZINC001164858880	720860376	/nfs/dbraw/zinc/86/03/76/720860376.db2.gz	SEXAQDCKJCBSIX-GHMZBOCLSA-N	1	1	404.298	1.056	20	0		HDADMO
CCc1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc(N2CCOCC2)n1	ZINC001164853604	720865680	/nfs/dbraw/zinc/86/56/80/720865680.db2.gz	HVICTRNQPZAMRN-HKUYNNGSSA-N	1	1	405.543	1.049	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164853016	720870003	/nfs/dbraw/zinc/87/00/03/720870003.db2.gz	GAZXNACVPOBKPT-RDJZCZTQSA-N	1	1	417.510	1.319	20	0		HDADMO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@H]2C1	ZINC001164854475	720871797	/nfs/dbraw/zinc/87/17/97/720871797.db2.gz	KBRCZWVUTZHBTE-KBPBESRZSA-N	1	1	403.932	1.312	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@H]2C1	ZINC001164854475	720871800	/nfs/dbraw/zinc/87/18/00/720871800.db2.gz	KBRCZWVUTZHBTE-KBPBESRZSA-N	1	1	403.932	1.312	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4[nH]cc(C(=O)OC)c43)CC[C@@H]2C1	ZINC001164862953	720871900	/nfs/dbraw/zinc/87/19/00/720871900.db2.gz	SDOOZHQFMFXVGP-TZMCWYRMSA-N	1	1	423.901	1.571	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)CC[C@@H]2C1	ZINC001164860078	720887160	/nfs/dbraw/zinc/88/71/60/720887160.db2.gz	ODVMJDRRIMDQJB-KGLIPLIRSA-N	1	1	419.904	1.914	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)c4ccno4)[C@@H]3C2)nc1)C1CC1	ZINC001164859090	720913622	/nfs/dbraw/zinc/91/36/22/720913622.db2.gz	OOYWBYPZMOEEQJ-POAQFYNOSA-N	1	1	411.506	1.935	20	0		HDADMO
COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ccc(C[N@@H+](C)C2CC2)cn1	ZINC001164757679	721024894	/nfs/dbraw/zinc/02/48/94/721024894.db2.gz	GBNRBBARTHSEPS-GOSISDBHSA-N	1	1	408.510	1.703	20	0		HDADMO
COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ccc(C[N@@H+](C)C2CC2)cn1	ZINC001164757680	721024994	/nfs/dbraw/zinc/02/49/94/721024994.db2.gz	GBNRBBARTHSEPS-SFHVURJKSA-N	1	1	408.510	1.703	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC[C@]4(C[C@@H](OCc5ccccn5)CO4)C3)n2)CC1	ZINC001164760384	721031877	/nfs/dbraw/zinc/03/18/77/721031877.db2.gz	CPGORFJPUGIFQP-OFNKIYASSA-N	1	1	424.549	1.968	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164868643	721049446	/nfs/dbraw/zinc/04/94/46/721049446.db2.gz	OXQJAROTHMLNPG-LSDHHAIUSA-N	1	1	403.870	1.791	20	0		HDADMO
O=C(c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCOCC1	ZINC001164869943	721049983	/nfs/dbraw/zinc/04/99/83/721049983.db2.gz	URUCBFXNLGWQJU-NHCUHLMSSA-N	1	1	423.517	1.429	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2N1C	ZINC001164866655	721093629	/nfs/dbraw/zinc/09/36/29/721093629.db2.gz	UNZNLTGTSQQPNA-HYVNUMGLSA-N	1	1	409.494	1.128	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865163	721098125	/nfs/dbraw/zinc/09/81/25/721098125.db2.gz	JEERVSBSWHDJBO-OALUTQOASA-N	1	1	408.506	1.952	20	0		HDADMO
CCc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164863324	721111686	/nfs/dbraw/zinc/11/16/86/721111686.db2.gz	BVENSSUALDXAHV-NHCUHLMSSA-N	1	1	424.549	1.750	20	0		HDADMO
CCc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164863325	721113522	/nfs/dbraw/zinc/11/35/22/721113522.db2.gz	BVENSSUALDXAHV-RTWAWAEBSA-N	1	1	424.549	1.750	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)ncn3)CC2)C1	ZINC001164878421	721260638	/nfs/dbraw/zinc/26/06/38/721260638.db2.gz	UQJNCWYKQSWBSN-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4cc[nH]c43)CC2)C1	ZINC001164877333	721261121	/nfs/dbraw/zinc/26/11/21/721261121.db2.gz	QXFORSJOJPMABB-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164874161	721262093	/nfs/dbraw/zinc/26/20/93/721262093.db2.gz	JHWBSIJQMLIHKM-UHFFFAOYSA-N	1	1	408.474	1.014	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4ncccc43)CC2)C1	ZINC001164868603	721265077	/nfs/dbraw/zinc/26/50/77/721265077.db2.gz	DWMQEEZSBQHUJO-UHFFFAOYSA-N	1	1	418.929	1.685	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc4nc[nH]c43)CC2)C1	ZINC001164870246	721270959	/nfs/dbraw/zinc/27/09/59/721270959.db2.gz	UVFFTUMKXKVXHR-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)nc4[nH]cnc43)CC2)C1	ZINC001164870246	721270968	/nfs/dbraw/zinc/27/09/68/721270968.db2.gz	UVFFTUMKXKVXHR-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc4[nH]cnc43)CC2)C1	ZINC001164870246	721270972	/nfs/dbraw/zinc/27/09/72/721270972.db2.gz	UVFFTUMKXKVXHR-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
COc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc2ccccc21	ZINC001164872969	721277199	/nfs/dbraw/zinc/27/71/99/721277199.db2.gz	KFCFEHKIZBBQFE-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
Cc1ccc(N2CCO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]32)nn1	ZINC001164777254	721313495	/nfs/dbraw/zinc/31/34/95/721313495.db2.gz	SFELHUIQAAPCNQ-WOJBJXKFSA-N	1	1	410.522	1.747	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C(N)=O)n3)C2)C1	ZINC001164777447	721338227	/nfs/dbraw/zinc/33/82/27/721338227.db2.gz	NLIFNJHKLFKUIB-HXUWFJFHSA-N	1	1	400.483	1.299	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C(N)=O)n3)C2)C1	ZINC001164777447	721338231	/nfs/dbraw/zinc/33/82/31/721338231.db2.gz	NLIFNJHKLFKUIB-HXUWFJFHSA-N	1	1	400.483	1.299	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)n2)CC1	ZINC001164882093	721351976	/nfs/dbraw/zinc/35/19/76/721351976.db2.gz	CAJZOKKXXYPXRU-VQTJNVASSA-N	1	1	422.533	1.206	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3nnn4C)C2)C1	ZINC001164780308	721366230	/nfs/dbraw/zinc/36/62/30/721366230.db2.gz	FXWXDIWWUASULT-HXUWFJFHSA-N	1	1	412.498	1.482	20	0		HDADMO
CCOC(=O)c1cncnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164886342	721379310	/nfs/dbraw/zinc/37/93/10/721379310.db2.gz	FIGQDLMBHVMXLC-DYESRHJHSA-N	1	1	403.527	1.419	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(Cl)c(C(N)=O)n4)C3)O2)CC1	ZINC001164885576	721387969	/nfs/dbraw/zinc/38/79/69/721387969.db2.gz	COIDGRCHOPGLRO-MGPUTAFESA-N	1	1	407.946	1.599	20	0		HDADMO
CCOC(=O)c1cncc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890939	721408555	/nfs/dbraw/zinc/40/85/55/721408555.db2.gz	UMNZFHVTLSXNMK-LAUBAEHRSA-N	1	1	403.527	1.419	20	0		HDADMO
CCOC(=O)c1nccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164889470	721411237	/nfs/dbraw/zinc/41/12/37/721411237.db2.gz	QWMIXHDLPCRUDW-UTKZUKDTSA-N	1	1	403.527	1.419	20	0		HDADMO
CN1c2cnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2N2CCC[C@H]2C1=O	ZINC001164789503	721411907	/nfs/dbraw/zinc/41/19/07/721411907.db2.gz	UPBZSQPLXCIORJ-ZNMIVQPWSA-N	1	1	411.535	1.447	20	0		HDADMO
CN1c2cnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2N2CCC[C@H]2C1=O	ZINC001164789503	721411910	/nfs/dbraw/zinc/41/19/10/721411910.db2.gz	UPBZSQPLXCIORJ-ZNMIVQPWSA-N	1	1	411.535	1.447	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164890630	721412995	/nfs/dbraw/zinc/41/29/95/721412995.db2.gz	UESUXOJRGBNNGK-REWPJTCUSA-N	1	1	416.566	1.953	20	0		HDADMO
CCOC(=O)c1c(C)ncnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164883869	721413167	/nfs/dbraw/zinc/41/31/67/721413167.db2.gz	CDGUVWOBVUMXSP-PGRDOPGGSA-N	1	1	417.554	1.727	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc21	ZINC001164889504	721413263	/nfs/dbraw/zinc/41/32/63/721413263.db2.gz	RFELGAUCYPNDJT-CVDCTZTESA-N	1	1	411.550	1.699	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21	ZINC001164886279	721413276	/nfs/dbraw/zinc/41/32/76/721413276.db2.gz	IPQMBRUMRRPZKA-YVHKJVDXSA-N	1	1	414.554	1.688	20	0		HDADMO
O=S(=O)(c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1)N1CCCC1	ZINC001164784812	721426603	/nfs/dbraw/zinc/42/66/03/721426603.db2.gz	MMCJIMLGNAAAEL-IYBDPMFKSA-N	1	1	419.576	1.891	20	0		HDADMO
O=S(=O)(c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1)N1CCCC1	ZINC001164784812	721426605	/nfs/dbraw/zinc/42/66/05/721426605.db2.gz	MMCJIMLGNAAAEL-IYBDPMFKSA-N	1	1	419.576	1.891	20	0		HDADMO
COCCOc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164892346	721437462	/nfs/dbraw/zinc/43/74/62/721437462.db2.gz	IEYSUEAMESFAHL-RXVVDRJESA-N	1	1	405.543	1.267	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(NC(N)=S)cn4)C3)O2)CC1	ZINC001164894244	721443401	/nfs/dbraw/zinc/44/34/01/721443401.db2.gz	LDIPFCLYAMMNBJ-PXNSSMCTSA-N	1	1	404.584	1.503	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(N)=O)ccn1)CC2	ZINC001164789438	721451299	/nfs/dbraw/zinc/45/12/99/721451299.db2.gz	WEFGTGYRZOLJEU-IBGZPJMESA-N	1	1	402.539	1.914	20	0		HDADMO
CCOC(=O)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164885394	721451994	/nfs/dbraw/zinc/45/19/94/721451994.db2.gz	DNKUBAVJEOOXTO-NZQKXSOJSA-N	1	1	416.566	1.953	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(N)=O)n1)CC2	ZINC001164788552	721453359	/nfs/dbraw/zinc/45/33/59/721453359.db2.gz	RHLCGARSZNHGOR-KRWDZBQOSA-N	1	1	403.527	1.309	20	0		HDADMO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)CNC3)CC2	ZINC001164788603	721459612	/nfs/dbraw/zinc/45/96/12/721459612.db2.gz	UROALDVSLSABSK-IBGZPJMESA-N	1	1	401.555	1.814	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)CNC3)CC2	ZINC001164788603	721459614	/nfs/dbraw/zinc/45/96/14/721459614.db2.gz	UROALDVSLSABSK-IBGZPJMESA-N	1	1	401.555	1.814	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1	ZINC001164899655	721513533	/nfs/dbraw/zinc/51/35/33/721513533.db2.gz	LMCPBFMXANOGRX-AZUAARDMSA-N	1	1	412.513	1.709	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1	ZINC001164899655	721513535	/nfs/dbraw/zinc/51/35/35/721513535.db2.gz	LMCPBFMXANOGRX-AZUAARDMSA-N	1	1	412.513	1.709	20	0		HDADMO
CN1CCN(c2nccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1	ZINC001164905401	721560609	/nfs/dbraw/zinc/56/06/09/721560609.db2.gz	HGBFHVQMZIEMAK-AZUAARDMSA-N	1	1	412.513	1.709	20	0		HDADMO
CN(C)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2nc[nH]c21	ZINC001164801737	721562647	/nfs/dbraw/zinc/56/26/47/721562647.db2.gz	HDXXKKHDWZBFQC-RYRKJORJSA-N	1	1	408.510	1.682	20	0		HDADMO
CN(C)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2nc[nH]c21	ZINC001164801737	721562650	/nfs/dbraw/zinc/56/26/50/721562650.db2.gz	HDXXKKHDWZBFQC-RYRKJORJSA-N	1	1	408.510	1.682	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@H]2CCCO[C@H]12	ZINC001164801223	721562716	/nfs/dbraw/zinc/56/27/16/721562716.db2.gz	GLYNIAYQWBAHOI-LZWOXQAQSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@H]2CCCO[C@H]12	ZINC001164801223	721562717	/nfs/dbraw/zinc/56/27/17/721562717.db2.gz	GLYNIAYQWBAHOI-LZWOXQAQSA-N	1	1	402.886	1.492	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164806253	721565207	/nfs/dbraw/zinc/56/52/07/721565207.db2.gz	PLNQOUGWGKWPOZ-AOIWGVFYSA-N	1	1	417.535	1.253	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164806253	721565210	/nfs/dbraw/zinc/56/52/10/721565210.db2.gz	PLNQOUGWGKWPOZ-AOIWGVFYSA-N	1	1	417.535	1.253	20	0		HDADMO
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@H]12	ZINC001164800354	721569468	/nfs/dbraw/zinc/56/94/68/721569468.db2.gz	FCUZZHMQENITQL-XPNTWCBSSA-N	1	1	408.550	1.754	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@H]2CCCO[C@H]12	ZINC001164809554	721581761	/nfs/dbraw/zinc/58/17/61/721581761.db2.gz	TWLZNDCYRCKOJM-JQVVWYNYSA-N	1	1	418.501	1.891	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@H]2CCCO[C@H]12	ZINC001164809554	721581763	/nfs/dbraw/zinc/58/17/63/721581763.db2.gz	TWLZNDCYRCKOJM-JQVVWYNYSA-N	1	1	418.501	1.891	20	0		HDADMO
Cn1cc(C(=O)N[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)[C@H]3CCCO[C@@H]23)cn1	ZINC001165013409	721757817	/nfs/dbraw/zinc/75/78/17/721757817.db2.gz	LNGGBBDVLQXKND-ZJOUEHCJSA-N	1	1	410.522	1.576	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc21	ZINC001165020814	721816262	/nfs/dbraw/zinc/81/62/62/721816262.db2.gz	DIZUJCDTCAEFQP-IEZWGBDMSA-N	1	1	407.522	1.997	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)CC1	ZINC001164921011	721870695	/nfs/dbraw/zinc/87/06/95/721870695.db2.gz	BUDZWQSONJVBEL-MSOLQXFVSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)CC1	ZINC001164921011	721870696	/nfs/dbraw/zinc/87/06/96/721870696.db2.gz	BUDZWQSONJVBEL-MSOLQXFVSA-N	1	1	402.543	1.081	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164935480	721881293	/nfs/dbraw/zinc/88/12/93/721881293.db2.gz	WYQBUUKYWXDELK-YTQUADARSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164935480	721881294	/nfs/dbraw/zinc/88/12/94/721881294.db2.gz	WYQBUUKYWXDELK-YTQUADARSA-N	1	1	409.600	1.763	20	0		HDADMO
CCn1cnc2c1ncnc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1	ZINC001164947679	721978639	/nfs/dbraw/zinc/97/86/39/721978639.db2.gz	QIYBVRQYNXWQJP-UHFFFAOYSA-N	1	1	405.506	1.817	20	0		HDADMO
CCn1cnc2c1ncnc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1	ZINC001164947679	721978645	/nfs/dbraw/zinc/97/86/45/721978645.db2.gz	QIYBVRQYNXWQJP-UHFFFAOYSA-N	1	1	405.506	1.817	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C2)OCCO3)c1C[N@H+]1CC[C@H](CO)C1	ZINC001165048564	721985296	/nfs/dbraw/zinc/98/52/96/721985296.db2.gz	ZKYOTEUFMBHAIG-INIZCTEOSA-N	1	1	418.538	1.834	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1	ZINC001165056122	722017233	/nfs/dbraw/zinc/01/72/33/722017233.db2.gz	WMDDBMXZAQVRMS-UHFFFAOYSA-N	1	1	403.552	1.872	20	0		HDADMO
NS(=O)(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1	ZINC001164962437	722060801	/nfs/dbraw/zinc/06/08/01/722060801.db2.gz	RYIGSKAUAXGNRC-UHFFFAOYSA-N	1	1	417.535	1.243	20	0		HDADMO
NC(=O)c1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl	ZINC001164980829	722103506	/nfs/dbraw/zinc/10/35/06/722103506.db2.gz	KOJJHSXZYBTEBN-NVXWUHKLSA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164980118	722104402	/nfs/dbraw/zinc/10/44/02/722104402.db2.gz	JPMYNCPRRXVBGR-VQIMIIECSA-N	1	1	422.489	1.818	20	0		HDADMO
c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3C2)c1	ZINC001164981038	722128976	/nfs/dbraw/zinc/12/89/76/722128976.db2.gz	SEQDDBITKPTWGQ-PMACEKPBSA-N	1	1	410.522	1.436	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nnc(Cl)c4ccncc42)CC3)CC1	ZINC001164996975	722230157	/nfs/dbraw/zinc/23/01/57/722230157.db2.gz	LDVHCLADWXSADW-UHFFFAOYSA-N	1	1	410.913	1.825	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)cn2)CC3)CC1	ZINC001164997720	722230323	/nfs/dbraw/zinc/23/03/23/722230323.db2.gz	UGMJDNKAALOVBQ-UHFFFAOYSA-N	1	1	409.872	1.822	20	0		HDADMO
CN(C)c1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164997746	722234315	/nfs/dbraw/zinc/23/43/15/722234315.db2.gz	VBEQGSJGHUTBQW-UHFFFAOYSA-N	1	1	402.934	1.343	20	0		HDADMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@H](Cn2ccnn2)C1	ZINC000429047555	1073467541	/nfs/dbraw/zinc/46/75/41/1073467541.db2.gz	XKEQEDLZMNUOMD-LEWJYISDSA-N	1	1	412.538	1.991	20	0		HDADMO
CCC(CC)(CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C(=O)OC	ZINC000429076041	1073514049	/nfs/dbraw/zinc/51/40/49/1073514049.db2.gz	HGDIWITXRCAUBN-KRWDZBQOSA-N	1	1	405.543	1.871	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1	ZINC000429075633	1073520477	/nfs/dbraw/zinc/52/04/77/1073520477.db2.gz	QTDOBJNGTKZPGF-AWEZNQCLSA-N	1	1	406.512	1.224	20	0		HDADMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000429081708	1073527151	/nfs/dbraw/zinc/52/71/51/1073527151.db2.gz	PWAHOZAEANDCIZ-IKGGRYGDSA-N	1	1	400.531	1.369	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000429084836	1073531701	/nfs/dbraw/zinc/53/17/01/1073531701.db2.gz	XMWDEPHBNVXANC-CRAIPNDOSA-N	1	1	400.483	1.161	20	0		HDADMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000429088552	1073539431	/nfs/dbraw/zinc/53/94/31/1073539431.db2.gz	SYZZCFCAHDDRGY-ROUUACIJSA-N	1	1	414.558	1.618	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1C	ZINC000509106251	1073541659	/nfs/dbraw/zinc/54/16/59/1073541659.db2.gz	CPGXMGAWRIHHRD-DOTOQJQBSA-N	1	1	404.902	1.911	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1C	ZINC000509106254	1073541856	/nfs/dbraw/zinc/54/18/56/1073541856.db2.gz	CPGXMGAWRIHHRD-WBVHZDCISA-N	1	1	404.902	1.911	20	0		HDADMO
CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)c1	ZINC000482994378	1073548104	/nfs/dbraw/zinc/54/81/04/1073548104.db2.gz	KTQKUHXZNUXQNO-SFHVURJKSA-N	1	1	401.511	1.515	20	0		HDADMO
O=C(CNC(=O)[C@@H]1CCCN1Cc1ccccn1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000673655394	1073584043	/nfs/dbraw/zinc/58/40/43/1073584043.db2.gz	NFYGJUNEFCHVCN-QFIPXVFZSA-N	1	1	421.545	1.507	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3noc(-c4cccc(F)c4)n3)CC2)CC1	ZINC000673665496	1073618712	/nfs/dbraw/zinc/61/87/12/1073618712.db2.gz	OCVMVVZAOINRKH-UHFFFAOYSA-N	1	1	415.469	1.892	20	0		HDADMO
CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673669103	1073622487	/nfs/dbraw/zinc/62/24/87/1073622487.db2.gz	CAHOUXJLGRSMIT-HXUWFJFHSA-N	1	1	401.555	1.449	20	0		HDADMO
CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673669103	1073622493	/nfs/dbraw/zinc/62/24/93/1073622493.db2.gz	CAHOUXJLGRSMIT-HXUWFJFHSA-N	1	1	401.555	1.449	20	0		HDADMO
CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668855	1073623313	/nfs/dbraw/zinc/62/33/13/1073623313.db2.gz	BFRLDPVITNZQCO-ICSRJNTNSA-N	1	1	412.534	1.132	20	0		HDADMO
CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668855	1073623324	/nfs/dbraw/zinc/62/33/24/1073623324.db2.gz	BFRLDPVITNZQCO-ICSRJNTNSA-N	1	1	412.534	1.132	20	0		HDADMO
O=C(CN[C@H](c1ccccc1)C(F)(F)F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673673622	1073629523	/nfs/dbraw/zinc/62/95/23/1073629523.db2.gz	YBIKZLPEVZGWBK-IEBWSBKVSA-N	1	1	414.472	1.402	20	0		HDADMO
COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1	ZINC000673681852	1073638918	/nfs/dbraw/zinc/63/89/18/1073638918.db2.gz	OXNAKAMJHLPZRD-KRWDZBQOSA-N	1	1	420.535	1.286	20	0		HDADMO
CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1	ZINC000673704526	1073644928	/nfs/dbraw/zinc/64/49/28/1073644928.db2.gz	MMVYTJVWGBPHEC-UHFFFAOYSA-N	1	1	412.556	1.335	20	0		HDADMO
Cc1cccn2cc(CCNC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)nc12	ZINC000673724914	1073656969	/nfs/dbraw/zinc/65/69/69/1073656969.db2.gz	JQJVBQZZQVZDJZ-IBGZPJMESA-N	1	1	413.522	1.015	20	0		HDADMO
O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1)N1CCCCC1	ZINC000946684227	1073673746	/nfs/dbraw/zinc/67/37/46/1073673746.db2.gz	BAUUMQRVQQYBKE-OSFNYYGPSA-N	1	1	401.551	1.593	20	0		HDADMO
CCC[C@@H]1C[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCO1	ZINC000509130568	1073680750	/nfs/dbraw/zinc/68/07/50/1073680750.db2.gz	YGDLUWYGNFYZBW-VQTJNVASSA-N	1	1	409.571	1.659	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1	ZINC000673774150	1073707659	/nfs/dbraw/zinc/70/76/59/1073707659.db2.gz	SEMYARJJPAXGLY-LJQANCHMSA-N	1	1	415.582	1.845	20	0		HDADMO
O=C1NC2(CCOCC2)C(=O)N1C[N@@H+](CCCOc1ccccc1)C1CCOCC1	ZINC000766029618	1073726082	/nfs/dbraw/zinc/72/60/82/1073726082.db2.gz	CPGOXKPQFCSYQC-UHFFFAOYSA-N	1	1	417.506	1.995	20	0		HDADMO
Cc1cccn2cc(CCNC(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)nc12	ZINC000673776770	1073733505	/nfs/dbraw/zinc/73/35/05/1073733505.db2.gz	OAQHVXSFFKWBEC-UHFFFAOYSA-N	1	1	412.538	1.381	20	0		HDADMO
CNC(=O)c1ccc(C[N@H+](C)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1	ZINC000015469542	1073767228	/nfs/dbraw/zinc/76/72/28/1073767228.db2.gz	UYECHTDSSCKXTH-FQEVSTJZSA-N	1	1	409.486	1.857	20	0		HDADMO
CNC(=O)c1ccc(C[N@@H+](C)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1	ZINC000015469542	1073767236	/nfs/dbraw/zinc/76/72/36/1073767236.db2.gz	UYECHTDSSCKXTH-FQEVSTJZSA-N	1	1	409.486	1.857	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000429152450	1073791993	/nfs/dbraw/zinc/79/19/93/1073791993.db2.gz	WMWSWELKBGQSNR-UHFFFAOYSA-N	1	1	405.543	1.887	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000429152450	1073791999	/nfs/dbraw/zinc/79/19/99/1073791999.db2.gz	WMWSWELKBGQSNR-UHFFFAOYSA-N	1	1	405.543	1.887	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673833312	1073797408	/nfs/dbraw/zinc/79/74/08/1073797408.db2.gz	CLJCZTVSHZGFOH-IBGZPJMESA-N	1	1	408.506	1.862	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCN3c3ncccn3)CC2)CC1	ZINC000673836954	1073811932	/nfs/dbraw/zinc/81/19/32/1073811932.db2.gz	BEBDUWQGROBFLF-LJQANCHMSA-N	1	1	414.554	1.238	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCCN3c3ncccn3)c2)CC1	ZINC000673845159	1073820522	/nfs/dbraw/zinc/82/05/22/1073820522.db2.gz	VVLRCMCQIPTHRE-LJQANCHMSA-N	1	1	408.506	1.401	20	0		HDADMO
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H](C)N1CC[NH+](C)CC1	ZINC000543496349	1073839408	/nfs/dbraw/zinc/83/94/08/1073839408.db2.gz	FANRIPSSNMDBCG-ZDUSSCGKSA-N	1	1	400.445	1.917	20	0		HDADMO
NC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1F	ZINC000673875736	1073842008	/nfs/dbraw/zinc/84/20/08/1073842008.db2.gz	DSGXYLGPXKXTGI-DNVCBOLYSA-N	1	1	400.454	1.929	20	0		HDADMO
COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cn1	ZINC000673874893	1073843275	/nfs/dbraw/zinc/84/32/75/1073843275.db2.gz	QMZUZENHGRVUFF-LJQANCHMSA-N	1	1	414.510	1.384	20	0		HDADMO
CN(C)c1nc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cs1	ZINC000673882195	1073853972	/nfs/dbraw/zinc/85/39/72/1073853972.db2.gz	YAKPYAUCMZUSEY-FUHWJXTLSA-N	1	1	403.552	1.891	20	0		HDADMO
Cc1c(C(=O)NC[C@H](O)COCC(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000673944118	1073918405	/nfs/dbraw/zinc/91/84/05/1073918405.db2.gz	FDYVBNYUXKRZQK-KRWDZBQOSA-N	1	1	401.511	1.327	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)NCC(C)(C)[NH+]3CCN(C)CC3)C2)c1	ZINC000673970121	1073956067	/nfs/dbraw/zinc/95/60/67/1073956067.db2.gz	FSLFGOSFUZBBSJ-KRWDZBQOSA-N	1	1	419.570	1.608	20	0		HDADMO
CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c(=O)[nH]c1=O	ZINC000429181776	1073987261	/nfs/dbraw/zinc/98/72/61/1073987261.db2.gz	BFZAQFWWTIIVHT-MEDUHNTESA-N	1	1	406.508	1.723	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000429184274	1074001509	/nfs/dbraw/zinc/00/15/09/1074001509.db2.gz	SQACMFDAHJUHDC-HOCLYGCPSA-N	1	1	415.943	1.018	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CCOc3ccc(C(N)=O)cc3)cc2)CC1	ZINC000673989724	1074005264	/nfs/dbraw/zinc/00/52/64/1074005264.db2.gz	LLEGNGJKELUPHA-UHFFFAOYSA-N	1	1	424.501	1.971	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(=O)[nH]1	ZINC000543530476	1074018892	/nfs/dbraw/zinc/01/88/92/1074018892.db2.gz	DAYMXPIRWOLAQC-UHFFFAOYSA-N	1	1	411.506	1.358	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[NH+]1CCOCC1	ZINC000543534477	1074033214	/nfs/dbraw/zinc/03/32/14/1074033214.db2.gz	NIBWMHRBQVPFJQ-SFHVURJKSA-N	1	1	420.558	1.975	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCc3nc(COC)nn3C2)[C@H](C)C1	ZINC000466586056	1074034847	/nfs/dbraw/zinc/03/48/47/1074034847.db2.gz	BYDPHWAPLUGXMV-IKGGRYGDSA-N	1	1	408.547	1.176	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)CC1	ZINC000543535343	1074035740	/nfs/dbraw/zinc/03/57/40/1074035740.db2.gz	XKGKZZKYQAUAHQ-UHFFFAOYSA-N	1	1	402.829	1.543	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1	ZINC001649123442	1074048350	/nfs/dbraw/zinc/04/83/50/1074048350.db2.gz	VZUYMLNBAMUBDT-VJBMBRPKSA-N	1	1	416.518	1.706	20	0		HDADMO
COc1cc2c(cc1OC)CN(CCNC(=O)N[C@H]1C[N@H+](C3CC3)C[C@H]1C)CC2	ZINC000466600197	1074064832	/nfs/dbraw/zinc/06/48/32/1074064832.db2.gz	WTTYVKXYWHCVLU-BEFAXECRSA-N	1	1	402.539	1.844	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1=O	ZINC000466603792	1074068764	/nfs/dbraw/zinc/06/87/64/1074068764.db2.gz	GECSCSXEAFNPQO-BYCMXARLSA-N	1	1	406.508	1.422	20	0		HDADMO
C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000509202540	1074087620	/nfs/dbraw/zinc/08/76/20/1074087620.db2.gz	KFALDUFHVFMHAO-SMDDNHRTSA-N	1	1	409.449	1.890	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C(=O)N1c1cnn(C)c1	ZINC000674033476	1074101632	/nfs/dbraw/zinc/10/16/32/1074101632.db2.gz	KVIMROYRANWWSH-KSSFIOAISA-N	1	1	402.474	1.484	20	0		HDADMO
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1	ZINC000674039442	1074112324	/nfs/dbraw/zinc/11/23/24/1074112324.db2.gz	RDVWUHFDTOYWOJ-IBGZPJMESA-N	1	1	402.539	1.708	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cn2ccc(Br)cc2n1	ZINC000509211867	1074131605	/nfs/dbraw/zinc/13/16/05/1074131605.db2.gz	PQEAVVRQQQHFAM-HNNXBMFYSA-N	1	1	422.327	1.769	20	0		HDADMO
CC(C)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)CC1=O	ZINC000509210632	1074134169	/nfs/dbraw/zinc/13/41/69/1074134169.db2.gz	LMGRHHHWZUPTPA-HBMCJLEFSA-N	1	1	409.534	1.761	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000429214530	1074138088	/nfs/dbraw/zinc/13/80/88/1074138088.db2.gz	MJBCGUXYZOUWJJ-KRWDZBQOSA-N	1	1	424.567	1.700	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000429214530	1074138093	/nfs/dbraw/zinc/13/80/93/1074138093.db2.gz	MJBCGUXYZOUWJJ-KRWDZBQOSA-N	1	1	424.567	1.700	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1	ZINC000543573277	1074144102	/nfs/dbraw/zinc/14/41/02/1074144102.db2.gz	BORORLOWAINGOB-GOSISDBHSA-N	1	1	422.529	1.862	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)CC1	ZINC000429215220	1074145564	/nfs/dbraw/zinc/14/55/64/1074145564.db2.gz	OHTNLJHKQUGYOH-UHFFFAOYSA-N	1	1	407.946	1.147	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1	ZINC000674055539	1074149843	/nfs/dbraw/zinc/14/98/43/1074149843.db2.gz	DMRYZDCPMONAJH-GDBMZVCRSA-N	1	1	409.556	1.974	20	0		HDADMO
CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1	ZINC000543578578	1074164123	/nfs/dbraw/zinc/16/41/23/1074164123.db2.gz	NXYIUPXZOMSSRA-VQIMIIECSA-N	1	1	413.522	1.384	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1	ZINC000674090103	1074180557	/nfs/dbraw/zinc/18/05/57/1074180557.db2.gz	PHNFKRCNAWBOIZ-QGZVFWFLSA-N	1	1	403.433	1.705	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)C1	ZINC000674091742	1074180711	/nfs/dbraw/zinc/18/07/11/1074180711.db2.gz	VJFGGRCFPOYGSI-XLIONFOSSA-N	1	1	404.486	1.581	20	0		HDADMO
O=C(CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCCCO2	ZINC000674132738	1074187854	/nfs/dbraw/zinc/18/78/54/1074187854.db2.gz	YDRWPJJAHDDLPU-KRWDZBQOSA-N	1	1	402.491	1.992	20	0		HDADMO
CN(c1ccccc1)C1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1	ZINC000674158674	1074195649	/nfs/dbraw/zinc/19/56/49/1074195649.db2.gz	IDZRJQWFDAYBDN-FQEVSTJZSA-N	1	1	415.582	1.703	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1	ZINC000674160745	1074196725	/nfs/dbraw/zinc/19/67/25/1074196725.db2.gz	YSQYNWKJMNEJNQ-SFHVURJKSA-N	1	1	408.568	1.199	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1	ZINC000674160745	1074196730	/nfs/dbraw/zinc/19/67/30/1074196730.db2.gz	YSQYNWKJMNEJNQ-SFHVURJKSA-N	1	1	408.568	1.199	20	0		HDADMO
O=C(Nc1ccc2c(c1)NC(=O)CC2)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000674191071	1074204346	/nfs/dbraw/zinc/20/43/46/1074204346.db2.gz	YDVFYGQKADRRCC-KRWDZBQOSA-N	1	1	400.479	1.223	20	0		HDADMO
C[C@H](c1ccccc1)[C@@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000674215721	1074228444	/nfs/dbraw/zinc/22/84/44/1074228444.db2.gz	JGVYHJZXYDZKAY-DNVCBOLYSA-N	1	1	412.490	1.406	20	0		HDADMO
CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCc3ccccc3)nc2)CC1	ZINC000674222226	1074232671	/nfs/dbraw/zinc/23/26/71/1074232671.db2.gz	LIWVCKKWCPTASJ-IBGZPJMESA-N	1	1	412.490	1.514	20	0		HDADMO
O=C(Nc1cccnc1OCc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000674229414	1074235890	/nfs/dbraw/zinc/23/58/90/1074235890.db2.gz	SRYJAQNUNBCLEG-LJQANCHMSA-N	1	1	424.501	1.780	20	0		HDADMO
CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C	ZINC001626098595	1074245754	/nfs/dbraw/zinc/24/57/54/1074245754.db2.gz	MTWVGBSJPUQXFV-KRWDZBQOSA-N	1	1	424.567	1.828	20	0		HDADMO
CCN(C(=O)[C@H](C)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000674264933	1074246214	/nfs/dbraw/zinc/24/62/14/1074246214.db2.gz	PGXJLZRHNURABR-DFQSSKMNSA-N	1	1	407.580	1.617	20	0		HDADMO
CCN(C(=O)[C@H](C)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000674264933	1074246222	/nfs/dbraw/zinc/24/62/22/1074246222.db2.gz	PGXJLZRHNURABR-DFQSSKMNSA-N	1	1	407.580	1.617	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN(C)Cc3nnc4ccccn43)CC2)cc1	ZINC000674304669	1074261009	/nfs/dbraw/zinc/26/10/09/1074261009.db2.gz	DHGILBVOPDRQMB-UHFFFAOYSA-N	1	1	422.533	1.904	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@H+](C)C[C@H](O)C2CC2)c1	ZINC000674314135	1074269958	/nfs/dbraw/zinc/26/99/58/1074269958.db2.gz	XGAMGQNOGFFDOX-KRWDZBQOSA-N	1	1	413.540	1.367	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@@H+](C)C[C@H](O)C2CC2)c1	ZINC000674314135	1074269961	/nfs/dbraw/zinc/26/99/61/1074269961.db2.gz	XGAMGQNOGFFDOX-KRWDZBQOSA-N	1	1	413.540	1.367	20	0		HDADMO
COC1CCN(CCNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1	ZINC000674321584	1074271768	/nfs/dbraw/zinc/27/17/68/1074271768.db2.gz	ZBDCHLJLHREDKQ-UHFFFAOYSA-N	1	1	406.527	1.101	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1	ZINC000674321426	1074272426	/nfs/dbraw/zinc/27/24/26/1074272426.db2.gz	WNQQQJYHDSSDCR-UHFFFAOYSA-N	1	1	404.536	1.920	20	0		HDADMO
COC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1	ZINC000674321054	1074281866	/nfs/dbraw/zinc/28/18/66/1074281866.db2.gz	NTOJCXSWYITSPZ-UHFFFAOYSA-N	1	1	420.579	1.401	20	0		HDADMO
O=S(=O)(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc2c1OCO2	ZINC000509223566	1074289350	/nfs/dbraw/zinc/28/93/50/1074289350.db2.gz	KYKYXRUPOXZGBI-QGZVFWFLSA-N	1	1	404.488	1.851	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN1CCCS1(=O)=O	ZINC000674438359	1074334907	/nfs/dbraw/zinc/33/49/07/1074334907.db2.gz	BLQYOKJNVLBLOZ-MJGOQNOKSA-N	1	1	408.568	1.574	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)c1	ZINC000674440592	1074337103	/nfs/dbraw/zinc/33/71/03/1074337103.db2.gz	PNNXUQACZKSOGJ-XMSQKQJNSA-N	1	1	413.522	1.543	20	0		HDADMO
C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CCN1CCCS1(=O)=O	ZINC000674463962	1074355666	/nfs/dbraw/zinc/35/56/66/1074355666.db2.gz	VVXRGLLVTBHLMQ-UHFFFAOYSA-N	1	1	404.330	1.745	20	0		HDADMO
COC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000674466671	1074365427	/nfs/dbraw/zinc/36/54/27/1074365427.db2.gz	MPWYPVANCNSKOD-QGZVFWFLSA-N	1	1	411.524	1.065	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000674466671	1074365435	/nfs/dbraw/zinc/36/54/35/1074365435.db2.gz	MPWYPVANCNSKOD-QGZVFWFLSA-N	1	1	411.524	1.065	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@H+]2CCC[C@H]2COC)C2CCCC2)c(=O)[nH]c1=O	ZINC000674500144	1074393240	/nfs/dbraw/zinc/39/32/40/1074393240.db2.gz	PIUYHTAHMFJBGR-INIZCTEOSA-N	1	1	421.542	1.718	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000674499472	1074393345	/nfs/dbraw/zinc/39/33/45/1074393345.db2.gz	BMWXCXVKCMYIFP-LJQANCHMSA-N	1	1	421.563	1.119	20	0		HDADMO
CCn1c(C[N@@H+]2CCC[C@@H]2COC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000674500494	1074395462	/nfs/dbraw/zinc/39/54/62/1074395462.db2.gz	XCGLHETXSUVGOY-MRXNPFEDSA-N	1	1	422.551	1.688	20	0		HDADMO
CCn1c(C[N@H+]2CCC[C@@H]2COC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000674500494	1074395471	/nfs/dbraw/zinc/39/54/71/1074395471.db2.gz	XCGLHETXSUVGOY-MRXNPFEDSA-N	1	1	422.551	1.688	20	0		HDADMO
Cc1c(C(=O)NCCCNC(=O)C2CCC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674514559	1074412567	/nfs/dbraw/zinc/41/25/67/1074412567.db2.gz	RTKXPLICFAKRJU-UHFFFAOYSA-N	1	1	410.522	1.600	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674520196	1074419904	/nfs/dbraw/zinc/41/99/04/1074419904.db2.gz	YPNLBOPTYYRUJI-MRXNPFEDSA-N	1	1	410.522	1.693	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)C3CC[NH+](Cc4csc(C)n4)CC3)CCN2C1=O	ZINC000674541073	1074429852	/nfs/dbraw/zinc/42/98/52/1074429852.db2.gz	HDLHAKWXDNQURI-MRXNPFEDSA-N	1	1	405.524	1.158	20	0		HDADMO
COC[C@H]1CCCN1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674564178	1074441133	/nfs/dbraw/zinc/44/11/33/1074441133.db2.gz	WUSLSFOBFOHSGE-LJQANCHMSA-N	1	1	403.527	1.540	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)[C@H](C)[NH+]1CCN(c3ccc(F)cc3)CC1)CC2	ZINC000674592979	1074471261	/nfs/dbraw/zinc/47/12/61/1074471261.db2.gz	DECXGUFCLQZRLN-INIZCTEOSA-N	1	1	413.497	1.498	20	0		HDADMO
COCCOc1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000142199931	1074515129	/nfs/dbraw/zinc/51/51/29/1074515129.db2.gz	RXDFRVXWUKTSAQ-SFHVURJKSA-N	1	1	406.527	1.039	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCC2(C)CCOCC2)cc1	ZINC000674678793	1074521053	/nfs/dbraw/zinc/52/10/53/1074521053.db2.gz	FWKMMDMUOSUSGV-UHFFFAOYSA-N	1	1	417.554	1.835	20	0		HDADMO
COCCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)n1	ZINC000674682372	1074521992	/nfs/dbraw/zinc/52/19/92/1074521992.db2.gz	XIGOHHGOFMQTDS-CYBMUJFWSA-N	1	1	421.885	1.728	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[N@H+](C)CCO)c1	ZINC000674700122	1074528219	/nfs/dbraw/zinc/52/82/19/1074528219.db2.gz	GPEUDDOTNXMGQP-UHFFFAOYSA-N	1	1	401.529	1.367	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[N@@H+](C)CCO)c1	ZINC000674700122	1074528225	/nfs/dbraw/zinc/52/82/25/1074528225.db2.gz	GPEUDDOTNXMGQP-UHFFFAOYSA-N	1	1	401.529	1.367	20	0		HDADMO
O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)NCc1ccccc1CN1CCOCC1	ZINC000429239035	1074530896	/nfs/dbraw/zinc/53/08/96/1074530896.db2.gz	SPOCRIXJDNOXOL-JOCHJYFZSA-N	1	1	401.551	1.884	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCCC[C@H]1CO	ZINC000674714531	1074533078	/nfs/dbraw/zinc/53/30/78/1074533078.db2.gz	XSHMWZLEFBCFTE-KRWDZBQOSA-N	1	1	409.552	1.955	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CCCC[C@H]1CO	ZINC000674714531	1074533086	/nfs/dbraw/zinc/53/30/86/1074533086.db2.gz	XSHMWZLEFBCFTE-KRWDZBQOSA-N	1	1	409.552	1.955	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674786014	1074565704	/nfs/dbraw/zinc/56/57/04/1074565704.db2.gz	PRHBPNQVXXQHEC-WMZOPIPTSA-N	1	1	419.551	1.115	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1cccc(Cl)c1	ZINC000674800732	1074574551	/nfs/dbraw/zinc/57/45/51/1074574551.db2.gz	OPODJWOWQJZDTM-QGZVFWFLSA-N	1	1	403.914	1.866	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CCCC[C@H]1CCO)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000674872131	1074593706	/nfs/dbraw/zinc/59/37/06/1074593706.db2.gz	ULUYARXIAOAJCD-HNNXBMFYSA-N	1	1	409.531	1.311	20	0		HDADMO
Cc1ccc(NC(=O)C[NH+]2CCC(OCCCO)CC2)cc1S(=O)(=O)N(C)C	ZINC000674914331	1074612474	/nfs/dbraw/zinc/61/24/74/1074612474.db2.gz	XFXIVPOIGMFSPE-UHFFFAOYSA-N	1	1	413.540	1.047	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1	ZINC000674918247	1074620588	/nfs/dbraw/zinc/62/05/88/1074620588.db2.gz	RVRJLUVBRBZVKP-UXHICEINSA-N	1	1	416.522	1.164	20	0		HDADMO
O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000674916891	1074627327	/nfs/dbraw/zinc/62/73/27/1074627327.db2.gz	GXAMURUBFUDOHN-FCHUYYIVSA-N	1	1	416.566	1.784	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c2cccs2)CC1	ZINC000674972353	1074647934	/nfs/dbraw/zinc/64/79/34/1074647934.db2.gz	RVUJHJKMGILPDP-KZNAEPCWSA-N	1	1	408.568	1.626	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1	ZINC000674971288	1074655360	/nfs/dbraw/zinc/65/53/60/1074655360.db2.gz	AKQCAVQXDRWAOM-UHFFFAOYSA-N	1	1	414.453	1.842	20	0		HDADMO
CC(C)c1cc(NC(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)no1	ZINC000446553263	1074657626	/nfs/dbraw/zinc/65/76/26/1074657626.db2.gz	BFUWIVLYZFAPCB-UHFFFAOYSA-N	1	1	415.494	1.883	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCCCO[C@H]3CCOC3)cc2)CC1	ZINC000674980978	1074657646	/nfs/dbraw/zinc/65/76/46/1074657646.db2.gz	UJMBUYQLTRJNEB-IBGZPJMESA-N	1	1	404.511	1.781	20	0		HDADMO
CC(C)c1cc(NC(=O)C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1	ZINC000536984099	1074658389	/nfs/dbraw/zinc/65/83/89/1074658389.db2.gz	OCLGILQZJMLZNR-IYBDPMFKSA-N	1	1	422.526	1.853	20	0		HDADMO
CC(C)c1cc(NC(=O)C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1	ZINC000536984099	1074658392	/nfs/dbraw/zinc/65/83/92/1074658392.db2.gz	OCLGILQZJMLZNR-IYBDPMFKSA-N	1	1	422.526	1.853	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1	ZINC000804218890	1074659348	/nfs/dbraw/zinc/65/93/48/1074659348.db2.gz	KEJRKOPZKCREGN-KRWDZBQOSA-N	1	1	403.571	1.684	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000429308953	1074668947	/nfs/dbraw/zinc/66/89/47/1074668947.db2.gz	MDEWUKNKJZLXSM-ZIFCJYIRSA-N	1	1	418.538	1.606	20	0		HDADMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](C)NC(=O)C3CCCC3)cc2)CC1	ZINC000509304008	1074682604	/nfs/dbraw/zinc/68/26/04/1074682604.db2.gz	JDEQGIVGXSDCBT-MRXNPFEDSA-N	1	1	400.523	1.984	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1	ZINC000675107628	1074722664	/nfs/dbraw/zinc/72/26/64/1074722664.db2.gz	XECTXBUFQOBFIS-XNGFIGEISA-N	1	1	413.522	1.669	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)C1	ZINC000675111849	1074724545	/nfs/dbraw/zinc/72/45/45/1074724545.db2.gz	IHTKEGREFTZZPY-IAGOWNOFSA-N	1	1	406.962	1.735	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3COc4c3cccc4Cl)CC2)CC1	ZINC000675123101	1074725036	/nfs/dbraw/zinc/72/50/36/1074725036.db2.gz	JSPXMVWQWRDVSN-QGZVFWFLSA-N	1	1	406.914	1.969	20	0		HDADMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000470619883	1074726475	/nfs/dbraw/zinc/72/64/75/1074726475.db2.gz	PCRQJCJILQHMFA-XHSDSOJGSA-N	1	1	417.597	1.582	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)s1	ZINC000467469229	1074728545	/nfs/dbraw/zinc/72/85/45/1074728545.db2.gz	MUBDGHBTCOWWCE-ZFWWWQNUSA-N	1	1	403.508	2.428	20	0		HDADMO
O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000560021953	1074731210	/nfs/dbraw/zinc/73/12/10/1074731210.db2.gz	MYOBJSNQYIIZLF-LSDHHAIUSA-N	1	1	413.444	1.762	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[N@H+]1Cc1ccccc1	ZINC000675126695	1074731632	/nfs/dbraw/zinc/73/16/32/1074731632.db2.gz	IUGUTIGFVFCGRL-BEFAXECRSA-N	1	1	406.486	1.690	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)cc2)CC1	ZINC000675127325	1074733799	/nfs/dbraw/zinc/73/37/99/1074733799.db2.gz	HIKWWHPNUOUIBR-MAEOIBBWSA-N	1	1	416.522	1.070	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)nn1C1CCCCC1	ZINC000569773267	1074737278	/nfs/dbraw/zinc/73/72/78/1074737278.db2.gz	RKJNNIRPNCITDH-UHFFFAOYSA-N	1	1	404.559	1.777	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)nn1-c1cccc(F)c1	ZINC000554009240	1074743226	/nfs/dbraw/zinc/74/32/26/1074743226.db2.gz	GGJKKVYKOQRFTE-SFHVURJKSA-N	1	1	417.485	1.611	20	0		HDADMO
CCC(=O)N1CC[C@H](Nc2cc(N[C@H]3CCN(C(=O)CC)C3)c3ccncc3[nH+]2)C1	ZINC000550386148	1074770819	/nfs/dbraw/zinc/77/08/19/1074770819.db2.gz	CFGYJPYCHHHUEH-HOTGVXAUSA-N	1	1	410.522	2.475	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1	ZINC000429243989	1074778817	/nfs/dbraw/zinc/77/88/17/1074778817.db2.gz	CYRNMAYIJPWAQW-YOEHRIQHSA-N	1	1	407.536	1.360	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1	ZINC000429243989	1074778824	/nfs/dbraw/zinc/77/88/24/1074778824.db2.gz	CYRNMAYIJPWAQW-YOEHRIQHSA-N	1	1	407.536	1.360	20	0		HDADMO
CCC(CC)[C@@H](C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)[NH+]1CCOCC1	ZINC000460670856	1074783812	/nfs/dbraw/zinc/78/38/12/1074783812.db2.gz	JQSMAWXPINJXQA-IBGZPJMESA-N	1	1	406.527	2.297	20	0		HDADMO
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000675280088	1074784214	/nfs/dbraw/zinc/78/42/14/1074784214.db2.gz	CSAZVWPVQVOMRC-LJQANCHMSA-N	1	1	421.563	1.337	20	0		HDADMO
COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)c1	ZINC000675284981	1074788092	/nfs/dbraw/zinc/78/80/92/1074788092.db2.gz	INFFFHZPGDVRCV-ZDUSSCGKSA-N	1	1	407.492	1.949	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000675297509	1074791303	/nfs/dbraw/zinc/79/13/03/1074791303.db2.gz	TYQPZRCEISHKDO-GOSISDBHSA-N	1	1	416.547	1.787	20	0		HDADMO
O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000675297693	1074791340	/nfs/dbraw/zinc/79/13/40/1074791340.db2.gz	QKHMKBYRPJQVLZ-YOEHRIQHSA-N	1	1	420.460	1.319	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675304971	1074793034	/nfs/dbraw/zinc/79/30/34/1074793034.db2.gz	VVFYOUOIUOROEH-RDJZCZTQSA-N	1	1	404.898	1.162	20	0		HDADMO
O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1nc2cc(Cl)ccn2n1	ZINC000562094601	1074793955	/nfs/dbraw/zinc/79/39/55/1074793955.db2.gz	CIXQFOJPEKATMN-IBGZPJMESA-N	1	1	400.870	2.141	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1ccn(CCc2ccncc2)n1	ZINC000468465431	1074796192	/nfs/dbraw/zinc/79/61/92/1074796192.db2.gz	GDNBCTXZZBCXCQ-GOSISDBHSA-N	1	1	422.489	2.006	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[C@H]21	ZINC000766106008	1074811889	/nfs/dbraw/zinc/81/18/89/1074811889.db2.gz	APJLYLJFSQOOAO-NXEZZACHSA-N	1	1	422.370	1.714	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@@H]21	ZINC000766108694	1074812997	/nfs/dbraw/zinc/81/29/97/1074812997.db2.gz	KWERAVGLVFJLBA-NHYWBVRUSA-N	1	1	416.341	1.653	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC[C@@H]21	ZINC000766111588	1074817929	/nfs/dbraw/zinc/81/79/29/1074817929.db2.gz	XTQDYRSUZNWYJL-SQNIBIBYSA-N	1	1	402.495	1.100	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000429247490	1074821635	/nfs/dbraw/zinc/82/16/35/1074821635.db2.gz	WEXXSYQOLLFINX-UHFFFAOYSA-N	1	1	423.579	1.365	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000429245812	1075090427	/nfs/dbraw/zinc/09/04/27/1075090427.db2.gz	LQLOUQYYSBHNLE-UHFFFAOYSA-N	1	1	407.540	1.752	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CC[N@@H+]1CCO	ZINC000429333792	1075090897	/nfs/dbraw/zinc/09/08/97/1075090897.db2.gz	LNBGLILBEANINN-GFCCVEGCSA-N	1	1	405.890	1.723	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CC[N@H+]1CCO	ZINC000429333792	1075090899	/nfs/dbraw/zinc/09/08/99/1075090899.db2.gz	LNBGLILBEANINN-GFCCVEGCSA-N	1	1	405.890	1.723	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1	ZINC000429337430	1075110790	/nfs/dbraw/zinc/11/07/90/1075110790.db2.gz	YKDOZAJGFYQCPP-HDICACEKSA-N	1	1	414.554	1.942	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000670513074	1075116343	/nfs/dbraw/zinc/11/63/43/1075116343.db2.gz	FYBHPDKFIMVBPA-CQSZACIVSA-N	1	1	415.456	1.668	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC[N@H+]1CC(C)(C)O	ZINC000670513074	1075116346	/nfs/dbraw/zinc/11/63/46/1075116346.db2.gz	FYBHPDKFIMVBPA-CQSZACIVSA-N	1	1	415.456	1.668	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)C1	ZINC000670513593	1075116727	/nfs/dbraw/zinc/11/67/27/1075116727.db2.gz	WFJXPMYUJLYYQQ-QGZVFWFLSA-N	1	1	415.456	1.837	20	0		HDADMO
Cc1noc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)n1	ZINC000509334138	1075130129	/nfs/dbraw/zinc/13/01/29/1075130129.db2.gz	IXGWANKRLMRNKM-HNNXBMFYSA-N	1	1	400.439	1.180	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)no1	ZINC000576305479	1075133681	/nfs/dbraw/zinc/13/36/81/1075133681.db2.gz	ZFXHZZMWOXFTTL-NVXWUHKLSA-N	1	1	402.520	2.434	20	0		HDADMO
COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n(C)c(=O)n2C)c1	ZINC000766123996	1075135523	/nfs/dbraw/zinc/13/55/23/1075135523.db2.gz	ZARUYMXRPIOUMD-NRFANRHFSA-N	1	1	409.486	1.828	20	0		HDADMO
COc1ccc(C)cc1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000670526721	1075148665	/nfs/dbraw/zinc/14/86/65/1075148665.db2.gz	TYDXDOIZTBCNNR-UHFFFAOYSA-N	1	1	403.523	1.771	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(CC(=O)NC2CCCC2)CC1)c1ccco1	ZINC000670526460	1075150315	/nfs/dbraw/zinc/15/03/15/1075150315.db2.gz	SICJRZIHHQPOGI-SFHVURJKSA-N	1	1	418.538	1.686	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3cccc(F)c3)C[C@@H]2C)C1	ZINC000429253192	1075157197	/nfs/dbraw/zinc/15/71/97/1075157197.db2.gz	APDYADNZYAFEHD-RXVVDRJESA-N	1	1	406.546	1.809	20	0		HDADMO
O=C(Nc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000437742409	1075157281	/nfs/dbraw/zinc/15/72/81/1075157281.db2.gz	FYHMDAJIZIHGGY-UHFFFAOYSA-N	1	1	419.485	2.324	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000429348580	1075159947	/nfs/dbraw/zinc/15/99/47/1075159947.db2.gz	JPHYVQDYUQCZJD-GOSISDBHSA-N	1	1	411.428	2.546	20	0		HDADMO
CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC001299295682	1075164377	/nfs/dbraw/zinc/16/43/77/1075164377.db2.gz	IIHOOXJIPJVWNB-DOTOQJQBSA-N	1	1	410.588	1.404	20	0		HDADMO
CC(C)CN(C(=O)C[N@@H+](C)C1(CO)CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429254517	1075165926	/nfs/dbraw/zinc/16/59/26/1075165926.db2.gz	FYNFVXSJZZSSBD-UHFFFAOYSA-N	1	1	409.531	1.023	20	0		HDADMO
CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675467472	1075166754	/nfs/dbraw/zinc/16/67/54/1075166754.db2.gz	WXLDEJMKBBSOFJ-INIZCTEOSA-N	1	1	421.611	1.941	20	0		HDADMO
COc1ccc(I)c(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1	ZINC000429350840	1075170722	/nfs/dbraw/zinc/17/07/22/1075170722.db2.gz	CYPSXLGJMAYPRJ-LLVKDONJSA-N	1	1	419.263	1.830	20	0		HDADMO
COc1ccc(I)c(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1	ZINC000429350840	1075170727	/nfs/dbraw/zinc/17/07/27/1075170727.db2.gz	CYPSXLGJMAYPRJ-LLVKDONJSA-N	1	1	419.263	1.830	20	0		HDADMO
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429352412	1075171430	/nfs/dbraw/zinc/17/14/30/1075171430.db2.gz	WKKYKNYKJJAJBW-WDSOQIARSA-N	1	1	411.568	1.358	20	0		HDADMO
CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C(=O)NCCOC)CC[C@@H]1C	ZINC000144424067	1075172926	/nfs/dbraw/zinc/17/29/26/1075172926.db2.gz	KGJIFANLCXYZCO-JKSUJKDBSA-N	1	1	405.495	1.665	20	0		HDADMO
CCOC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@H](C(=O)NCCOC)CC[C@@H]1C	ZINC000144424067	1075172931	/nfs/dbraw/zinc/17/29/31/1075172931.db2.gz	KGJIFANLCXYZCO-JKSUJKDBSA-N	1	1	405.495	1.665	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1	ZINC000675518931	1075184600	/nfs/dbraw/zinc/18/46/00/1075184600.db2.gz	JKBZVWGSUGAHKT-UHFFFAOYSA-N	1	1	401.294	1.554	20	0		HDADMO
CC[C@@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500871	1075185590	/nfs/dbraw/zinc/18/55/90/1075185590.db2.gz	OSGUQPCASRYBIE-WOJBJXKFSA-N	1	1	402.539	1.930	20	0		HDADMO
CC[C@@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500871	1075185592	/nfs/dbraw/zinc/18/55/92/1075185592.db2.gz	OSGUQPCASRYBIE-WOJBJXKFSA-N	1	1	402.539	1.930	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCC(S(C)(=O)=O)CC2)c2cccs2)CC1	ZINC000675528409	1075200199	/nfs/dbraw/zinc/20/01/99/1075200199.db2.gz	BPZGPZKDNQDSDN-MRXNPFEDSA-N	1	1	414.597	1.255	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNS(=O)(=O)c2cccc3c2OCO3)c1	ZINC000509349342	1075200286	/nfs/dbraw/zinc/20/02/86/1075200286.db2.gz	COWYQHWHBYXFIF-UHFFFAOYSA-N	1	1	422.503	1.851	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1	ZINC000478968847	1075202800	/nfs/dbraw/zinc/20/28/00/1075202800.db2.gz	WPFWMIYYARDYJN-KRWDZBQOSA-N	1	1	405.543	1.971	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675558693	1075202971	/nfs/dbraw/zinc/20/29/71/1075202971.db2.gz	MTVUDLNABYXPAT-IBGZPJMESA-N	1	1	421.586	1.363	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675558693	1075202973	/nfs/dbraw/zinc/20/29/73/1075202973.db2.gz	MTVUDLNABYXPAT-IBGZPJMESA-N	1	1	421.586	1.363	20	0		HDADMO
CCC[C@@H](NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C)c1nn[nH]n1	ZINC000675571610	1075208662	/nfs/dbraw/zinc/20/86/62/1075208662.db2.gz	LFRLNXPWXWBTID-MRXNPFEDSA-N	1	1	423.543	1.009	20	0		HDADMO
CC(C)n1ncc2cc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ccc21	ZINC000675574876	1075209698	/nfs/dbraw/zinc/20/96/98/1075209698.db2.gz	HJBVIISFBICHAL-LJQANCHMSA-N	1	1	419.551	1.720	20	0		HDADMO
CC(C)n1ncc2cc(S(=O)(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)ccc21	ZINC000675574876	1075209699	/nfs/dbraw/zinc/20/96/99/1075209699.db2.gz	HJBVIISFBICHAL-LJQANCHMSA-N	1	1	419.551	1.720	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1	ZINC000675584183	1075213096	/nfs/dbraw/zinc/21/30/96/1075213096.db2.gz	WMPHQJUODQHPJR-UHFFFAOYSA-N	1	1	412.494	1.949	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)c2cccs2)CC1	ZINC000675584582	1075214637	/nfs/dbraw/zinc/21/46/37/1075214637.db2.gz	BZDSJAQXYLSMAC-KRWDZBQOSA-N	1	1	416.551	1.398	20	0		HDADMO
COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)CC2)cc1	ZINC000675587315	1075216097	/nfs/dbraw/zinc/21/60/97/1075216097.db2.gz	COQXCEQUZJFJAF-UHFFFAOYSA-N	1	1	411.506	1.975	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)CC2)cc1	ZINC000675587315	1075216103	/nfs/dbraw/zinc/21/61/03/1075216103.db2.gz	COQXCEQUZJFJAF-UHFFFAOYSA-N	1	1	411.506	1.975	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466688214	1075221543	/nfs/dbraw/zinc/22/15/43/1075221543.db2.gz	FLRXQDYBMMJCIT-QAPCUYQASA-N	1	1	410.474	1.268	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000578385475	1075226818	/nfs/dbraw/zinc/22/68/18/1075226818.db2.gz	LVBSDVLSVJEODV-OAHLLOKOSA-N	1	1	415.460	2.009	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[NH+]2CCCC2)o1	ZINC000675591983	1075229609	/nfs/dbraw/zinc/22/96/09/1075229609.db2.gz	DKIYRMYROUKWIX-ZWKOTPCHSA-N	1	1	415.494	1.855	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Nc3ccn(CCOC)n3)cc2)CC1	ZINC000446338016	1075230654	/nfs/dbraw/zinc/23/06/54/1075230654.db2.gz	XLKHPRXYUITZLH-UHFFFAOYSA-N	1	1	414.510	1.880	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2nn(-c3ccccc3)cc2C)CC1	ZINC000592946481	1075231707	/nfs/dbraw/zinc/23/17/07/1075231707.db2.gz	UUWGWXWOYCNYHI-UHFFFAOYSA-N	1	1	412.538	1.653	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccn(CCOC)n3)cc2)CC1	ZINC000513924492	1075232449	/nfs/dbraw/zinc/23/24/49/1075232449.db2.gz	UDWJISHIBRXBMO-UHFFFAOYSA-N	1	1	400.527	1.989	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)cc21	ZINC000675598802	1075236865	/nfs/dbraw/zinc/23/68/65/1075236865.db2.gz	SNKDZBBBPNIZGE-MRXNPFEDSA-N	1	1	401.511	1.715	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466692778	1075238893	/nfs/dbraw/zinc/23/88/93/1075238893.db2.gz	TVPIDJPRAYAXRC-QAPCUYQASA-N	1	1	410.474	1.268	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC(C)(C)CCS(C)(=O)=O)cc2)CC1	ZINC000675624852	1075243069	/nfs/dbraw/zinc/24/30/69/1075243069.db2.gz	VHCIQBPYMBZZMB-UHFFFAOYSA-N	1	1	424.567	1.799	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n1	ZINC000441099191	1075245158	/nfs/dbraw/zinc/24/51/58/1075245158.db2.gz	DMSKRGSUCGODCF-SQNIBIBYSA-N	1	1	413.522	2.150	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)n1	ZINC000441099191	1075245160	/nfs/dbraw/zinc/24/51/60/1075245160.db2.gz	DMSKRGSUCGODCF-SQNIBIBYSA-N	1	1	413.522	2.150	20	0		HDADMO
Cn1cccc1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1	ZINC000675655990	1075250022	/nfs/dbraw/zinc/25/00/22/1075250022.db2.gz	JUZAXLPNRDLPQA-QZTJIDSGSA-N	1	1	403.527	1.136	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1	ZINC000445160417	1075250886	/nfs/dbraw/zinc/25/08/86/1075250886.db2.gz	PNUONUBFZDHJIE-LPHOPBHVSA-N	1	1	401.511	2.369	20	0		HDADMO
CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1	ZINC000675702983	1075257616	/nfs/dbraw/zinc/25/76/16/1075257616.db2.gz	AXVGUAIAFXAWQA-MRXNPFEDSA-N	1	1	410.465	1.555	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N2CC(OCCCOc3ccccc3)C2)CC1	ZINC000675711608	1075259615	/nfs/dbraw/zinc/25/96/15/1075259615.db2.gz	REXDCUBHGDEBRO-UHFFFAOYSA-N	1	1	404.555	1.892	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1	ZINC000543644045	1075265134	/nfs/dbraw/zinc/26/51/34/1075265134.db2.gz	AIUOCOMDPLLDTG-MOPGFXCFSA-N	1	1	406.502	1.898	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	ZINC000675755831	1075265208	/nfs/dbraw/zinc/26/52/08/1075265208.db2.gz	ZNPYJXDTKSJZPH-SFHVURJKSA-N	1	1	412.600	1.692	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	ZINC000675755831	1075265213	/nfs/dbraw/zinc/26/52/13/1075265213.db2.gz	ZNPYJXDTKSJZPH-SFHVURJKSA-N	1	1	412.600	1.692	20	0		HDADMO
Cc1ccc(-c2nc(SCC(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)n[nH]2)cc1	ZINC000675784794	1075271217	/nfs/dbraw/zinc/27/12/17/1075271217.db2.gz	BAYAQKJJPYYZJV-IAGOWNOFSA-N	1	1	401.536	1.930	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCCC(C)(C)C3)n2)c1C	ZINC000434592712	1075277978	/nfs/dbraw/zinc/27/79/78/1075277978.db2.gz	ZWERWEDMJUPRSG-UHFFFAOYSA-N	1	1	400.483	1.934	20	0		HDADMO
O=S(=O)(NCC1CC1)c1ccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc1	ZINC000534061436	1075278394	/nfs/dbraw/zinc/27/83/94/1075278394.db2.gz	HEXKJGOXYFNBPJ-RTBURBONSA-N	1	1	416.547	1.817	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC3CC(C)(C)C3)n2)c1C	ZINC000562930902	1075279429	/nfs/dbraw/zinc/27/94/29/1075279429.db2.gz	QBGYVCJGCPCYMA-UHFFFAOYSA-N	1	1	400.483	1.838	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[N@H+]1Cc1ccccc1	ZINC000466701992	1075281833	/nfs/dbraw/zinc/28/18/33/1075281833.db2.gz	ANPXNEZZXUGXKS-YJBOKZPZSA-N	1	1	422.485	1.760	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000503498953	1075284242	/nfs/dbraw/zinc/28/42/42/1075284242.db2.gz	PNPVULJGZFECNK-QZTJIDSGSA-N	1	1	411.506	1.981	20	0		HDADMO
Cn1c(=O)c2cc(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)cnc2n(C)c1=O	ZINC001129097474	1075286505	/nfs/dbraw/zinc/28/65/05/1075286505.db2.gz	CZABNDQTSHNDDN-UHFFFAOYSA-N	1	1	421.501	1.417	20	0		HDADMO
Cc1ccc(Cc2nnc(NC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)s2)cc1	ZINC000466133188	1075286911	/nfs/dbraw/zinc/28/69/11/1075286911.db2.gz	DSGNTCPAEHQENG-INIZCTEOSA-N	1	1	402.568	2.442	20	0		HDADMO
Cc1ccc(Cc2nnc(NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)s2)cc1	ZINC000438067005	1075287321	/nfs/dbraw/zinc/28/73/21/1075287321.db2.gz	NLIKMBOCIHKCJZ-IBGZPJMESA-N	1	1	405.524	1.642	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1	ZINC000675898912	1075288053	/nfs/dbraw/zinc/28/80/53/1075288053.db2.gz	RYEQBHJQXRYSMD-KSSFIOAISA-N	1	1	416.349	1.972	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1	ZINC000675919055	1075291838	/nfs/dbraw/zinc/29/18/38/1075291838.db2.gz	WGNUMAWZYFDSMI-LBPRGKRZSA-N	1	1	400.405	1.010	20	0		HDADMO
CCS(=O)(=O)N(C)C1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000509375148	1075293574	/nfs/dbraw/zinc/29/35/74/1075293574.db2.gz	VOQGFYUBRZDTIJ-UHFFFAOYSA-N	1	1	408.612	1.945	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCc1c(Cl)cccc1Cl	ZINC000479098600	1075296234	/nfs/dbraw/zinc/29/62/34/1075296234.db2.gz	VSQORFUZBSOWBG-UHFFFAOYSA-N	1	1	415.365	1.748	20	0		HDADMO
COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OC(C)C	ZINC000467563870	1075301290	/nfs/dbraw/zinc/30/12/90/1075301290.db2.gz	HUBPPYROJRGQLJ-INIZCTEOSA-N	1	1	405.495	1.602	20	0		HDADMO
C[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1nc(Cc2ccccc2)no1	ZINC000429384490	1075301361	/nfs/dbraw/zinc/30/13/61/1075301361.db2.gz	WBGPFEBCZBKAQQ-MGPUTAFESA-N	1	1	403.483	1.104	20	0		HDADMO
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC000675942191	1075302774	/nfs/dbraw/zinc/30/27/74/1075302774.db2.gz	LAIJTIBJQIKIJO-OAHLLOKOSA-N	1	1	415.943	1.666	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)[nH+]c1	ZINC000462173394	1075304215	/nfs/dbraw/zinc/30/42/15/1075304215.db2.gz	CAEDTTKKXCWJBF-UHFFFAOYSA-N	1	1	417.535	2.231	20	0		HDADMO
Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O	ZINC000509375919	1075309524	/nfs/dbraw/zinc/30/95/24/1075309524.db2.gz	YOCSTKYBUZGUQG-OAHLLOKOSA-N	1	1	411.289	1.994	20	0		HDADMO
Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O	ZINC000509375919	1075309529	/nfs/dbraw/zinc/30/95/29/1075309529.db2.gz	YOCSTKYBUZGUQG-OAHLLOKOSA-N	1	1	411.289	1.994	20	0		HDADMO
O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2ncc(I)cn2)C1	ZINC000547326631	1075311829	/nfs/dbraw/zinc/31/18/29/1075311829.db2.gz	AFZPOJGWOSXGIE-OAHLLOKOSA-N	1	1	410.259	2.260	20	0		HDADMO
Cc1ccc(Nc2cccc(C(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)c2)nn1	ZINC000467630730	1075312217	/nfs/dbraw/zinc/31/22/17/1075312217.db2.gz	RYIGOVPRUMARDE-SFHVURJKSA-N	1	1	417.535	1.720	20	0		HDADMO
CN(C)S(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1	ZINC000675952047	1075313442	/nfs/dbraw/zinc/31/34/42/1075313442.db2.gz	PVTAFTUSRINMEU-UHFFFAOYSA-N	1	1	408.446	1.458	20	0		HDADMO
Cc1cc(C)n2c(nn(CN3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)c2=S)n1	ZINC000731356171	1075318336	/nfs/dbraw/zinc/31/83/36/1075318336.db2.gz	RDFNRQKSYWTIRN-UHFFFAOYSA-N	1	1	417.583	1.711	20	0		HDADMO
CC1CCC2(CC(=O)N(CN3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)C2=O)CC1	ZINC000731355975	1075318365	/nfs/dbraw/zinc/31/83/65/1075318365.db2.gz	MJYCMQCCJFPDJS-UHFFFAOYSA-N	1	1	418.582	1.775	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)c1	ZINC000675983620	1075319348	/nfs/dbraw/zinc/31/93/48/1075319348.db2.gz	IVVBRXSPAUNFKL-KRWDZBQOSA-N	1	1	408.506	1.599	20	0		HDADMO
O=C(NC[C@H](O)COc1ccccc1Br)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000675994323	1075319639	/nfs/dbraw/zinc/31/96/39/1075319639.db2.gz	AIOWSTGZUSWWIA-GJZGRUSLSA-N	1	1	412.328	1.972	20	0		HDADMO
CC1CCC2(CC1)NC(=O)N(CN1CCC(CC(=O)N3CC[NH+](C)CC3)CC1)C2=O	ZINC000731356411	1075319790	/nfs/dbraw/zinc/31/97/90/1075319790.db2.gz	SPNYZWRRCLLRSW-UHFFFAOYSA-N	1	1	419.570	1.321	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000612052449	1075323925	/nfs/dbraw/zinc/32/39/25/1075323925.db2.gz	MYEUGKWCMWWNCO-UHFFFAOYSA-N	1	1	423.477	1.726	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC1	ZINC000731399932	1075329763	/nfs/dbraw/zinc/32/97/63/1075329763.db2.gz	QICOMQYLHHGOMV-UHFFFAOYSA-N	1	1	422.570	1.884	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(O)CCCc2ccccc21	ZINC000731404349	1075331122	/nfs/dbraw/zinc/33/11/22/1075331122.db2.gz	ARYNTAZETRDGIN-UGKGYDQZSA-N	1	1	402.539	1.452	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000676034429	1075331282	/nfs/dbraw/zinc/33/12/82/1075331282.db2.gz	FDLBONYEETYECR-VQTJNVASSA-N	1	1	405.587	1.732	20	0		HDADMO
C[N@H+](CCOC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000676041364	1075338875	/nfs/dbraw/zinc/33/88/75/1075338875.db2.gz	HPMIXWPIWCMIDD-UHFFFAOYSA-N	1	1	415.531	1.406	20	0		HDADMO
C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000676041364	1075338881	/nfs/dbraw/zinc/33/88/81/1075338881.db2.gz	HPMIXWPIWCMIDD-UHFFFAOYSA-N	1	1	415.531	1.406	20	0		HDADMO
C[N@H+](CCOC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000676042808	1075338900	/nfs/dbraw/zinc/33/89/00/1075338900.db2.gz	OYDFPDUBQVZHQR-UHFFFAOYSA-N	1	1	415.531	1.406	20	0		HDADMO
C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000676042808	1075338903	/nfs/dbraw/zinc/33/89/03/1075338903.db2.gz	OYDFPDUBQVZHQR-UHFFFAOYSA-N	1	1	415.531	1.406	20	0		HDADMO
Cc1cccc(N2CCC(NC(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)CC2)[nH+]1	ZINC000504061844	1075344921	/nfs/dbraw/zinc/34/49/21/1075344921.db2.gz	KBEYIPSWPBNXMS-UHFFFAOYSA-N	1	1	419.489	1.754	20	0		HDADMO
Cc1noc(C[C@@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2)n1	ZINC000429393929	1075352160	/nfs/dbraw/zinc/35/21/60/1075352160.db2.gz	NRYAZOLLXBLMSB-GOSISDBHSA-N	1	1	414.510	1.467	20	0		HDADMO
COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1	ZINC000676094847	1075355216	/nfs/dbraw/zinc/35/52/16/1075355216.db2.gz	UBVXHSQFZBLCBA-UHFFFAOYSA-N	1	1	400.483	1.211	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](C(=O)OC)C1	ZINC000509380912	1075357432	/nfs/dbraw/zinc/35/74/32/1075357432.db2.gz	RLMZGTOWXFOSLW-ZHALLVOQSA-N	1	1	420.481	1.991	20	0		HDADMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1	ZINC000731466869	1075357622	/nfs/dbraw/zinc/35/76/22/1075357622.db2.gz	LUKTZQKTJFVYQT-MRXNPFEDSA-N	1	1	402.520	1.932	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000731467987	1075358055	/nfs/dbraw/zinc/35/80/55/1075358055.db2.gz	ZTZAFPFODSXMLB-MRXNPFEDSA-N	1	1	423.560	1.619	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676096115	1075360061	/nfs/dbraw/zinc/36/00/61/1075360061.db2.gz	GGLORVAABDAERO-HXUWFJFHSA-N	1	1	404.474	1.987	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676096115	1075360069	/nfs/dbraw/zinc/36/00/69/1075360069.db2.gz	GGLORVAABDAERO-HXUWFJFHSA-N	1	1	404.474	1.987	20	0		HDADMO
COc1cc(NC(=O)CC[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc(OC)c1OC	ZINC000429396226	1075361692	/nfs/dbraw/zinc/36/16/92/1075361692.db2.gz	BBKJZPQAWKIFFF-CYBMUJFWSA-N	1	1	400.497	1.408	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3(CCO)CCC3)cc2)CC1	ZINC000676100797	1075366397	/nfs/dbraw/zinc/36/63/97/1075366397.db2.gz	NPQJETQHVYJQGR-UHFFFAOYSA-N	1	1	416.522	1.072	20	0		HDADMO
CN(C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000804086715	1075369965	/nfs/dbraw/zinc/36/99/65/1075369965.db2.gz	CDPWXZZXTFEMOS-VYDXJSESSA-N	1	1	408.543	1.634	20	0		HDADMO
O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676090430	1075374581	/nfs/dbraw/zinc/37/45/81/1075374581.db2.gz	XYRBSJDKWQRNDV-UHFFFAOYSA-N	1	1	404.474	1.770	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676090430	1075374585	/nfs/dbraw/zinc/37/45/85/1075374585.db2.gz	XYRBSJDKWQRNDV-UHFFFAOYSA-N	1	1	404.474	1.770	20	0		HDADMO
C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)c1	ZINC000676091470	1075376724	/nfs/dbraw/zinc/37/67/24/1075376724.db2.gz	ABARIYPZIMJVIQ-UHFFFAOYSA-N	1	1	408.462	1.463	20	0		HDADMO
Cn1ccnc1-c1csc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1	ZINC000676091485	1075376749	/nfs/dbraw/zinc/37/67/49/1075376749.db2.gz	AUOAHKKQRAYRKU-CQSZACIVSA-N	1	1	418.523	1.195	20	0		HDADMO
COCC[NH+]1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1	ZINC000429397224	1075378341	/nfs/dbraw/zinc/37/83/41/1075378341.db2.gz	YTMTYEBDNJGIKA-HNNXBMFYSA-N	1	1	414.428	1.784	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)C1	ZINC000804088922	1075379197	/nfs/dbraw/zinc/37/91/97/1075379197.db2.gz	FIXWELGRJAZWQU-GJZGRUSLSA-N	1	1	414.572	1.104	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)CCOC(C)(C)C)cc2)CC1	ZINC000676101618	1075382517	/nfs/dbraw/zinc/38/25/17/1075382517.db2.gz	IFIQXGHSPRNRCC-UHFFFAOYSA-N	1	1	418.538	1.676	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCc3cscn3)cc2)CC1	ZINC000676102884	1075382824	/nfs/dbraw/zinc/38/28/24/1075382824.db2.gz	KLILEGITXQWKMC-UHFFFAOYSA-N	1	1	415.519	1.218	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1	ZINC000731541762	1075384121	/nfs/dbraw/zinc/38/41/21/1075384121.db2.gz	CRFNJWWKPHZLPC-HXUWFJFHSA-N	1	1	422.957	1.959	20	0		HDADMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804091322	1075389544	/nfs/dbraw/zinc/38/95/44/1075389544.db2.gz	YJQOESXEAHQRIP-IAGOWNOFSA-N	1	1	421.542	1.992	20	0		HDADMO
Cc1cc(F)cc2c(O)c(C(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)cnc12	ZINC000676133873	1075392402	/nfs/dbraw/zinc/39/24/02/1075392402.db2.gz	FHEXMACRXXMPDC-QGZVFWFLSA-N	1	1	400.454	1.530	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1	ZINC000676123935	1075395069	/nfs/dbraw/zinc/39/50/69/1075395069.db2.gz	DJNCWDQSVQSJPQ-FPOVZHCZSA-N	1	1	410.518	1.980	20	0		HDADMO
CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)C2=O	ZINC000676145209	1075398208	/nfs/dbraw/zinc/39/82/08/1075398208.db2.gz	FHDARJRJEBGSSB-KKSFZXQISA-N	1	1	406.527	1.200	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)n2)cc1	ZINC000444909229	1075408595	/nfs/dbraw/zinc/40/85/95/1075408595.db2.gz	YHBWMJIXJASJPD-MRXNPFEDSA-N	1	1	401.511	2.249	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000731615279	1075412927	/nfs/dbraw/zinc/41/29/27/1075412927.db2.gz	MRQBDEOWWADNAO-SFHVURJKSA-N	1	1	411.458	1.975	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000731615279	1075412930	/nfs/dbraw/zinc/41/29/30/1075412930.db2.gz	MRQBDEOWWADNAO-SFHVURJKSA-N	1	1	411.458	1.975	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000731616242	1075413587	/nfs/dbraw/zinc/41/35/87/1075413587.db2.gz	HJDZUJOZYWOAFS-UHFFFAOYSA-N	1	1	411.458	1.913	20	0		HDADMO
Cc1nc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)nn1-c1ccccc1	ZINC000731622828	1075417705	/nfs/dbraw/zinc/41/77/05/1075417705.db2.gz	SIZSYKHCMKALAP-UHFFFAOYSA-N	1	1	405.506	1.913	20	0		HDADMO
CC(=O)Nc1ccc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000676203944	1075425721	/nfs/dbraw/zinc/42/57/21/1075425721.db2.gz	QRSSYTWQRCIKFT-OKILXGFUSA-N	1	1	401.504	1.952	20	0		HDADMO
CC(=O)Nc1ccc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000676203944	1075425722	/nfs/dbraw/zinc/42/57/22/1075425722.db2.gz	QRSSYTWQRCIKFT-OKILXGFUSA-N	1	1	401.504	1.952	20	0		HDADMO
COc1ccc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1NC(C)=O	ZINC000676203966	1075425738	/nfs/dbraw/zinc/42/57/38/1075425738.db2.gz	RJINONHMUIUOBU-GJZGRUSLSA-N	1	1	413.540	1.821	20	0		HDADMO
NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)CC[NH+]3CCOCC3)cc2)cc1	ZINC000731651203	1075433623	/nfs/dbraw/zinc/43/36/23/1075433623.db2.gz	YIXFGERTKWCWNF-UHFFFAOYSA-N	1	1	405.476	1.787	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1	ZINC000731655484	1075438681	/nfs/dbraw/zinc/43/86/81/1075438681.db2.gz	OSBIBFMMEBPSEE-GOSISDBHSA-N	1	1	402.495	1.239	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C(F)(F)F)n1	ZINC000731655455	1075438690	/nfs/dbraw/zinc/43/86/90/1075438690.db2.gz	NFWNYAXSKAQPMT-MRXNPFEDSA-N	1	1	422.473	1.260	20	0		HDADMO
CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C	ZINC000539479789	1075440197	/nfs/dbraw/zinc/44/01/97/1075440197.db2.gz	QWIIBRZIYZFAAG-SJLPKXTDSA-N	1	1	404.559	1.730	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCOc3ccc(C=O)cc3)CC2)CC1	ZINC000731640390	1075441555	/nfs/dbraw/zinc/44/15/55/1075441555.db2.gz	NEEXOICVOKVHOE-UHFFFAOYSA-N	1	1	401.507	1.671	20	0		HDADMO
CC[C@@H](C)n1nc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C	ZINC000539478201	1075442815	/nfs/dbraw/zinc/44/28/15/1075442815.db2.gz	DCFUVADQDXCUOF-ZHRRBRCNSA-N	1	1	413.522	1.854	20	0		HDADMO
C[C@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1C[N@H+](C)CCO1	ZINC000676242504	1075444732	/nfs/dbraw/zinc/44/47/32/1075444732.db2.gz	WBJZZBAQZQYZEH-JOYOIKCWSA-N	1	1	420.823	1.920	20	0		HDADMO
C[C@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1C[N@@H+](C)CCO1	ZINC000676242504	1075444741	/nfs/dbraw/zinc/44/47/41/1075444741.db2.gz	WBJZZBAQZQYZEH-JOYOIKCWSA-N	1	1	420.823	1.920	20	0		HDADMO
C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1C[N@H+](C)CCO1	ZINC000676244070	1075445416	/nfs/dbraw/zinc/44/54/16/1075445416.db2.gz	NOVDFMVKUWQQGJ-GOEBONIOSA-N	1	1	412.556	1.282	20	0		HDADMO
C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1C[N@@H+](C)CCO1	ZINC000676244070	1075445418	/nfs/dbraw/zinc/44/54/18/1075445418.db2.gz	NOVDFMVKUWQQGJ-GOEBONIOSA-N	1	1	412.556	1.282	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC2)c1	ZINC000731686433	1075446140	/nfs/dbraw/zinc/44/61/40/1075446140.db2.gz	VUNQKDDZCNFTIZ-UHFFFAOYSA-N	1	1	422.595	1.331	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676256320	1075452126	/nfs/dbraw/zinc/45/21/26/1075452126.db2.gz	BGLJVGZREHYDGM-QAPCUYQASA-N	1	1	412.556	1.865	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676256320	1075452127	/nfs/dbraw/zinc/45/21/27/1075452127.db2.gz	BGLJVGZREHYDGM-QAPCUYQASA-N	1	1	412.556	1.865	20	0		HDADMO
CCCc1c(C(=O)NC2CC[NH+](CC(N)=O)CC2)nnn1-c1cccc(Cl)c1	ZINC000731689891	1075452684	/nfs/dbraw/zinc/45/26/84/1075452684.db2.gz	ZJEJKRNSPZVFJD-UHFFFAOYSA-N	1	1	404.902	1.553	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259081	1075453759	/nfs/dbraw/zinc/45/37/59/1075453759.db2.gz	QSYGBMNAWXWZAO-GJYPPUQNSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259081	1075453763	/nfs/dbraw/zinc/45/37/63/1075453763.db2.gz	QSYGBMNAWXWZAO-GJYPPUQNSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676259052	1075453817	/nfs/dbraw/zinc/45/38/17/1075453817.db2.gz	QAGKFJUDVCLHQO-OXQOHEQNSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259052	1075453818	/nfs/dbraw/zinc/45/38/18/1075453818.db2.gz	QAGKFJUDVCLHQO-OXQOHEQNSA-N	1	1	417.531	1.961	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1C	ZINC000676258297	1075453837	/nfs/dbraw/zinc/45/38/37/1075453837.db2.gz	HHSULIDAUGKMAU-PXNSSMCTSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1C	ZINC000676258297	1075453838	/nfs/dbraw/zinc/45/38/38/1075453838.db2.gz	HHSULIDAUGKMAU-PXNSSMCTSA-N	1	1	423.579	1.539	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676258545	1075456016	/nfs/dbraw/zinc/45/60/16/1075456016.db2.gz	JFOBHCKFIHVZQO-WOSRLPQWSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258545	1075456022	/nfs/dbraw/zinc/45/60/22/1075456022.db2.gz	JFOBHCKFIHVZQO-WOSRLPQWSA-N	1	1	410.312	1.637	20	0		HDADMO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676260876	1075458265	/nfs/dbraw/zinc/45/82/65/1075458265.db2.gz	LMVNNVJPXDPKFI-KDOFPFPSSA-N	1	1	406.483	1.008	20	0		HDADMO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260876	1075458268	/nfs/dbraw/zinc/45/82/68/1075458268.db2.gz	LMVNNVJPXDPKFI-KDOFPFPSSA-N	1	1	406.483	1.008	20	0		HDADMO
CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)CC1	ZINC000537439069	1075458642	/nfs/dbraw/zinc/45/86/42/1075458642.db2.gz	FRZCJDAAPYCEOB-HNNXBMFYSA-N	1	1	419.913	1.688	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)C2)cc1	ZINC000676260563	1075458845	/nfs/dbraw/zinc/45/88/45/1075458845.db2.gz	FZAIQLILACXENT-AOIWGVFYSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)cc1	ZINC000676260563	1075458849	/nfs/dbraw/zinc/45/88/49/1075458849.db2.gz	FZAIQLILACXENT-AOIWGVFYSA-N	1	1	409.552	1.231	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676263762	1075462321	/nfs/dbraw/zinc/46/23/21/1075462321.db2.gz	CCRWTZHTCDOOIZ-IUODEOHRSA-N	1	1	416.519	1.743	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676263762	1075462323	/nfs/dbraw/zinc/46/23/23/1075462323.db2.gz	CCRWTZHTCDOOIZ-IUODEOHRSA-N	1	1	416.519	1.743	20	0		HDADMO
Cc1c(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000676264186	1075462406	/nfs/dbraw/zinc/46/24/06/1075462406.db2.gz	MTZZFTDIHUBHCC-GOEBONIOSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1c(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000676264186	1075462409	/nfs/dbraw/zinc/46/24/09/1075462409.db2.gz	MTZZFTDIHUBHCC-GOEBONIOSA-N	1	1	412.556	1.912	20	0		HDADMO
C[C@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676264428	1075463700	/nfs/dbraw/zinc/46/37/00/1075463700.db2.gz	RFPHSWCDKVMAAJ-BBRMVZONSA-N	1	1	407.496	1.116	20	0		HDADMO
C[C@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676264428	1075463706	/nfs/dbraw/zinc/46/37/06/1075463706.db2.gz	RFPHSWCDKVMAAJ-BBRMVZONSA-N	1	1	407.496	1.116	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000676247348	1075464859	/nfs/dbraw/zinc/46/48/59/1075464859.db2.gz	HWAJVZFSFRANEV-IRXDYDNUSA-N	1	1	400.531	1.370	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000676247346	1075464879	/nfs/dbraw/zinc/46/48/79/1075464879.db2.gz	HWAJVZFSFRANEV-DLBZAZTESA-N	1	1	400.531	1.370	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000676249101	1075465527	/nfs/dbraw/zinc/46/55/27/1075465527.db2.gz	LTKQCCHMWYCAKA-DOXZYTNZSA-N	1	1	404.511	1.423	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000676249101	1075465533	/nfs/dbraw/zinc/46/55/33/1075465533.db2.gz	LTKQCCHMWYCAKA-DOXZYTNZSA-N	1	1	404.511	1.423	20	0		HDADMO
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000731683754	1075467906	/nfs/dbraw/zinc/46/79/06/1075467906.db2.gz	GQYFJFOGVSFDGA-JKSUJKDBSA-N	1	1	411.547	1.225	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676250683	1075467956	/nfs/dbraw/zinc/46/79/56/1075467956.db2.gz	IILLPWGNUVVBAW-TXPKVOOTSA-N	1	1	422.957	1.844	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250683	1075467958	/nfs/dbraw/zinc/46/79/58/1075467958.db2.gz	IILLPWGNUVVBAW-TXPKVOOTSA-N	1	1	422.957	1.844	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250679	1075467983	/nfs/dbraw/zinc/46/79/83/1075467983.db2.gz	IILLPWGNUVVBAW-BXWFABGCSA-N	1	1	422.957	1.844	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250679	1075467987	/nfs/dbraw/zinc/46/79/87/1075467987.db2.gz	IILLPWGNUVVBAW-BXWFABGCSA-N	1	1	422.957	1.844	20	0		HDADMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731683873	1075468403	/nfs/dbraw/zinc/46/84/03/1075468403.db2.gz	KVRMOHOHSQDQBX-MRXNPFEDSA-N	1	1	402.605	1.305	20	0		HDADMO
COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676251467	1075469014	/nfs/dbraw/zinc/46/90/14/1075469014.db2.gz	NAPIYNQGRBVTEP-KXBFYZLASA-N	1	1	410.946	1.895	20	0		HDADMO
COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676251467	1075469019	/nfs/dbraw/zinc/46/90/19/1075469019.db2.gz	NAPIYNQGRBVTEP-KXBFYZLASA-N	1	1	410.946	1.895	20	0		HDADMO
C[C@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676252265	1075470103	/nfs/dbraw/zinc/47/01/03/1075470103.db2.gz	QWXXXAXBYNYGHX-MAUKXSAKSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252265	1075470108	/nfs/dbraw/zinc/47/01/08/1075470108.db2.gz	QWXXXAXBYNYGHX-MAUKXSAKSA-N	1	1	413.540	1.220	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676253293	1075471650	/nfs/dbraw/zinc/47/16/50/1075471650.db2.gz	VMSRGAAPIYHXBP-FXAWDEMLSA-N	1	1	417.554	1.234	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676253293	1075471653	/nfs/dbraw/zinc/47/16/53/1075471653.db2.gz	VMSRGAAPIYHXBP-FXAWDEMLSA-N	1	1	417.554	1.234	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676253211	1075471775	/nfs/dbraw/zinc/47/17/75/1075471775.db2.gz	ZHJTVJQZCCIJLF-ZWKOTPCHSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676253211	1075471777	/nfs/dbraw/zinc/47/17/77/1075471777.db2.gz	ZHJTVJQZCCIJLF-ZWKOTPCHSA-N	1	1	424.567	1.038	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676253435	1075471843	/nfs/dbraw/zinc/47/18/43/1075471843.db2.gz	XZVKFSAQGNIWMO-VQIMIIECSA-N	1	1	410.946	1.765	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676253435	1075471846	/nfs/dbraw/zinc/47/18/46/1075471846.db2.gz	XZVKFSAQGNIWMO-VQIMIIECSA-N	1	1	410.946	1.765	20	0		HDADMO
COc1cccc(Cc2nnc(NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)s2)c1	ZINC000444814975	1075475769	/nfs/dbraw/zinc/47/57/69/1075475769.db2.gz	DRCNFQRFCHXUNK-AWEZNQCLSA-N	1	1	419.551	2.446	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1	ZINC000676278157	1075476130	/nfs/dbraw/zinc/47/61/30/1075476130.db2.gz	FFAREGTXEMTSMO-CXAGYDPISA-N	1	1	413.478	1.696	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1	ZINC000676278157	1075476142	/nfs/dbraw/zinc/47/61/42/1075476142.db2.gz	FFAREGTXEMTSMO-CXAGYDPISA-N	1	1	413.478	1.696	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1	ZINC000676278159	1075476186	/nfs/dbraw/zinc/47/61/86/1075476186.db2.gz	FFAREGTXEMTSMO-GUYCJALGSA-N	1	1	413.478	1.696	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1	ZINC000676278159	1075476190	/nfs/dbraw/zinc/47/61/90/1075476190.db2.gz	FFAREGTXEMTSMO-GUYCJALGSA-N	1	1	413.478	1.696	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278174	1075476347	/nfs/dbraw/zinc/47/63/47/1075476347.db2.gz	FLILHPOJEYIEQS-DNVCBOLYSA-N	1	1	411.506	1.660	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278174	1075476352	/nfs/dbraw/zinc/47/63/52/1075476352.db2.gz	FLILHPOJEYIEQS-DNVCBOLYSA-N	1	1	411.506	1.660	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676277966	1075476878	/nfs/dbraw/zinc/47/68/78/1075476878.db2.gz	CSHVIYBFNVPLFH-OXJNMPFZSA-N	1	1	424.501	1.737	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277966	1075476884	/nfs/dbraw/zinc/47/68/84/1075476884.db2.gz	CSHVIYBFNVPLFH-OXJNMPFZSA-N	1	1	424.501	1.737	20	0		HDADMO
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c2)n1	ZINC000676277851	1075477506	/nfs/dbraw/zinc/47/75/06/1075477506.db2.gz	BWEFINDAIXBLTD-SUMWQHHRSA-N	1	1	413.478	1.185	20	0		HDADMO
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c2)n1	ZINC000676277851	1075477508	/nfs/dbraw/zinc/47/75/08/1075477508.db2.gz	BWEFINDAIXBLTD-SUMWQHHRSA-N	1	1	413.478	1.185	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676277619	1075477589	/nfs/dbraw/zinc/47/75/89/1075477589.db2.gz	AYGUCNZYKKBTCD-HZMBPMFUSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277619	1075477592	/nfs/dbraw/zinc/47/75/92/1075477592.db2.gz	AYGUCNZYKKBTCD-HZMBPMFUSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@H]1C[N@H+](C)CCO1	ZINC000676279089	1075478672	/nfs/dbraw/zinc/47/86/72/1075478672.db2.gz	NAPFGDFIIGDEGF-IUODEOHRSA-N	1	1	402.520	1.949	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279089	1075478674	/nfs/dbraw/zinc/47/86/74/1075478674.db2.gz	NAPFGDFIIGDEGF-IUODEOHRSA-N	1	1	402.520	1.949	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278856	1075480508	/nfs/dbraw/zinc/48/05/08/1075480508.db2.gz	LFXIZZSBEJAHIA-JTDSTZFVSA-N	1	1	416.522	1.475	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278856	1075480511	/nfs/dbraw/zinc/48/05/11/1075480511.db2.gz	LFXIZZSBEJAHIA-JTDSTZFVSA-N	1	1	416.522	1.475	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278356	1075481003	/nfs/dbraw/zinc/48/10/03/1075481003.db2.gz	GKMVXDNILTVVAI-YJBOKZPZSA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278356	1075481005	/nfs/dbraw/zinc/48/10/05/1075481005.db2.gz	GKMVXDNILTVVAI-YJBOKZPZSA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1C[N@H+](C)CCO1	ZINC000676279956	1075482010	/nfs/dbraw/zinc/48/20/10/1075482010.db2.gz	RIGXTSVJSLTBRM-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279956	1075482013	/nfs/dbraw/zinc/48/20/13/1075482013.db2.gz	RIGXTSVJSLTBRM-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279643	1075483415	/nfs/dbraw/zinc/48/34/15/1075483415.db2.gz	PPENLSASXPOPTE-ZFWWWQNUSA-N	1	1	401.492	1.402	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279643	1075483420	/nfs/dbraw/zinc/48/34/20/1075483420.db2.gz	PPENLSASXPOPTE-ZFWWWQNUSA-N	1	1	401.492	1.402	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CN(C)CCO1	ZINC000676279627	1075484001	/nfs/dbraw/zinc/48/40/01/1075484001.db2.gz	PKFQRXUJSYNYRP-YZLZLFLDSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CN(C)CCO1	ZINC000676279627	1075484009	/nfs/dbraw/zinc/48/40/09/1075484009.db2.gz	PKFQRXUJSYNYRP-YZLZLFLDSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279403	1075484588	/nfs/dbraw/zinc/48/45/88/1075484588.db2.gz	PCEAYCGFQCKESN-KDOFPFPSSA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279403	1075484590	/nfs/dbraw/zinc/48/45/90/1075484590.db2.gz	PCEAYCGFQCKESN-KDOFPFPSSA-N	1	1	411.462	1.108	20	0		HDADMO
CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676280881	1075486031	/nfs/dbraw/zinc/48/60/31/1075486031.db2.gz	UQMCQBAXXDYULE-NHYWBVRUSA-N	1	1	414.300	1.622	20	0		HDADMO
CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280881	1075486034	/nfs/dbraw/zinc/48/60/34/1075486034.db2.gz	UQMCQBAXXDYULE-NHYWBVRUSA-N	1	1	414.300	1.622	20	0		HDADMO
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676280281	1075486741	/nfs/dbraw/zinc/48/67/41/1075486741.db2.gz	UUJQXZQLYTUSCX-GUYCJALGSA-N	1	1	424.929	1.596	20	0		HDADMO
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676280281	1075486743	/nfs/dbraw/zinc/48/67/43/1075486743.db2.gz	UUJQXZQLYTUSCX-GUYCJALGSA-N	1	1	424.929	1.596	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280290	1075487278	/nfs/dbraw/zinc/48/72/78/1075487278.db2.gz	UXBUCIWGQUQXAN-VQIMIIECSA-N	1	1	416.522	1.477	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280290	1075487282	/nfs/dbraw/zinc/48/72/82/1075487282.db2.gz	UXBUCIWGQUQXAN-VQIMIIECSA-N	1	1	416.522	1.477	20	0		HDADMO
COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676281986	1075487890	/nfs/dbraw/zinc/48/78/90/1075487890.db2.gz	OQJYQKVUKVWNCA-XHDPSFHLSA-N	1	1	414.300	1.369	20	0		HDADMO
COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676281986	1075487897	/nfs/dbraw/zinc/48/78/97/1075487897.db2.gz	OQJYQKVUKVWNCA-XHDPSFHLSA-N	1	1	414.300	1.369	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676281828	1075488400	/nfs/dbraw/zinc/48/84/00/1075488400.db2.gz	XNSWSUXRNHRSGD-CZUORRHYSA-N	1	1	403.508	1.345	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281828	1075488404	/nfs/dbraw/zinc/48/84/04/1075488404.db2.gz	XNSWSUXRNHRSGD-CZUORRHYSA-N	1	1	403.508	1.345	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OCC(F)(F)F	ZINC000676281582	1075488748	/nfs/dbraw/zinc/48/87/48/1075488748.db2.gz	YTFTYBSFRATHFX-IUODEOHRSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OCC(F)(F)F	ZINC000676281582	1075488751	/nfs/dbraw/zinc/48/87/51/1075488751.db2.gz	YTFTYBSFRATHFX-IUODEOHRSA-N	1	1	403.401	1.710	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676282758	1075489729	/nfs/dbraw/zinc/48/97/29/1075489729.db2.gz	VFNGNQADPNIIRL-YKTARERQSA-N	1	1	404.511	1.074	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676282758	1075489732	/nfs/dbraw/zinc/48/97/32/1075489732.db2.gz	VFNGNQADPNIIRL-YKTARERQSA-N	1	1	404.511	1.074	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1NC(=O)C(C)(C)C	ZINC000676283255	1075490352	/nfs/dbraw/zinc/49/03/52/1075490352.db2.gz	YGOCSUNEKRVZPZ-YOEHRIQHSA-N	1	1	404.511	1.753	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1NC(=O)C(C)(C)C	ZINC000676283255	1075490353	/nfs/dbraw/zinc/49/03/53/1075490353.db2.gz	YGOCSUNEKRVZPZ-YOEHRIQHSA-N	1	1	404.511	1.753	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676303459	1075502201	/nfs/dbraw/zinc/50/22/01/1075502201.db2.gz	CJZLRRJUMJNAMV-JLJPHGGASA-N	1	1	403.445	1.875	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676303459	1075502205	/nfs/dbraw/zinc/50/22/05/1075502205.db2.gz	CJZLRRJUMJNAMV-JLJPHGGASA-N	1	1	403.445	1.875	20	0		HDADMO
C[C@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676304878	1075502749	/nfs/dbraw/zinc/50/27/49/1075502749.db2.gz	NDSPJKCHPFMWLZ-KBXCAEBGSA-N	1	1	407.490	1.840	20	0		HDADMO
C[C@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676304878	1075502751	/nfs/dbraw/zinc/50/27/51/1075502751.db2.gz	NDSPJKCHPFMWLZ-KBXCAEBGSA-N	1	1	407.490	1.840	20	0		HDADMO
CC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434807784	1075503671	/nfs/dbraw/zinc/50/36/71/1075503671.db2.gz	HELGIBMQWAYCGZ-GJZGRUSLSA-N	1	1	400.483	1.980	20	0		HDADMO
C[C@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676306929	1075504387	/nfs/dbraw/zinc/50/43/87/1075504387.db2.gz	XCOCATXBMOTKGY-YWZLYKJASA-N	1	1	400.523	1.972	20	0		HDADMO
C[C@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306929	1075504390	/nfs/dbraw/zinc/50/43/90/1075504390.db2.gz	XCOCATXBMOTKGY-YWZLYKJASA-N	1	1	400.523	1.972	20	0		HDADMO
Cc1n[nH]cc1-c1nnc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1	ZINC000444993629	1075504816	/nfs/dbraw/zinc/50/48/16/1075504816.db2.gz	AEDIHYCAMMCDML-HUUCEWRRSA-N	1	1	413.507	1.994	20	0		HDADMO
C[C@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307575	1075505257	/nfs/dbraw/zinc/50/52/57/1075505257.db2.gz	PTZBLXRSBUKZOL-DZKIICNBSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307575	1075505260	/nfs/dbraw/zinc/50/52/60/1075505260.db2.gz	PTZBLXRSBUKZOL-DZKIICNBSA-N	1	1	409.918	1.814	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NCc3cccc(NS(C)(=O)=O)c3)cc2)CC1	ZINC000676315733	1075505625	/nfs/dbraw/zinc/50/56/25/1075505625.db2.gz	AWERWBZRDFIAQH-UHFFFAOYSA-N	1	1	416.547	1.987	20	0		HDADMO
O=C(C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2)N1CCCCCC1	ZINC001035754059	1075505965	/nfs/dbraw/zinc/50/59/65/1075505965.db2.gz	CJEILKXRDSYLTP-IYWGDAJJSA-N	1	1	401.551	1.737	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676334697	1075510164	/nfs/dbraw/zinc/51/01/64/1075510164.db2.gz	DUSFRMMUCVJURU-QUCCMNQESA-N	1	1	418.538	1.255	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676334697	1075510172	/nfs/dbraw/zinc/51/01/72/1075510172.db2.gz	DUSFRMMUCVJURU-QUCCMNQESA-N	1	1	418.538	1.255	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1	ZINC000676335907	1075510443	/nfs/dbraw/zinc/51/04/43/1075510443.db2.gz	DBWQPPSFBDBFTF-UHFFFAOYSA-N	1	1	423.521	1.728	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676334510	1075510639	/nfs/dbraw/zinc/51/06/39/1075510639.db2.gz	XVXXBHZVQQFASK-APHBMKBZSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676334510	1075510642	/nfs/dbraw/zinc/51/06/42/1075510642.db2.gz	XVXXBHZVQQFASK-APHBMKBZSA-N	1	1	410.312	1.637	20	0		HDADMO
Cn1cc(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)CC2=O)cn1	ZINC000429423346	1075511807	/nfs/dbraw/zinc/51/18/07/1075511807.db2.gz	AKZPREAONJPXCM-HNAYVOBHSA-N	1	1	416.551	1.923	20	0		HDADMO
C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000676338886	1075512820	/nfs/dbraw/zinc/51/28/20/1075512820.db2.gz	RSKVUSBQYNBRDM-DOMZBBRYSA-N	1	1	419.469	1.973	20	0		HDADMO
CC[C@@]1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1	ZINC000429425481	1075514724	/nfs/dbraw/zinc/51/47/24/1075514724.db2.gz	LAEGSOFDLGMVAG-LJQANCHMSA-N	1	1	410.540	1.392	20	0		HDADMO
CC[C@@]1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1	ZINC000429425481	1075514730	/nfs/dbraw/zinc/51/47/30/1075514730.db2.gz	LAEGSOFDLGMVAG-LJQANCHMSA-N	1	1	410.540	1.392	20	0		HDADMO
Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2=O)c1	ZINC000676342231	1075514800	/nfs/dbraw/zinc/51/48/00/1075514800.db2.gz	ZLBWBDWUGRMLTD-ROUUACIJSA-N	1	1	400.479	1.133	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1	ZINC000731762222	1075516393	/nfs/dbraw/zinc/51/63/93/1075516393.db2.gz	JCOXPDVOQASYFF-UHFFFAOYSA-N	1	1	405.474	1.627	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1	ZINC000731761868	1075516682	/nfs/dbraw/zinc/51/66/82/1075516682.db2.gz	KVSVWIHYPGBNJR-OAQYLSRUSA-N	1	1	402.539	1.694	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676332264	1075522164	/nfs/dbraw/zinc/52/21/64/1075522164.db2.gz	KQPCIPHSWCVJOQ-YSVLISHTSA-N	1	1	411.449	1.728	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676332264	1075522172	/nfs/dbraw/zinc/52/21/72/1075522172.db2.gz	KQPCIPHSWCVJOQ-YSVLISHTSA-N	1	1	411.449	1.728	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676332565	1075522702	/nfs/dbraw/zinc/52/27/02/1075522702.db2.gz	OKQLIMQSNUNRGN-YWZLYKJASA-N	1	1	419.522	1.391	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676332565	1075522705	/nfs/dbraw/zinc/52/27/05/1075522705.db2.gz	OKQLIMQSNUNRGN-YWZLYKJASA-N	1	1	419.522	1.391	20	0		HDADMO
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676333796	1075523577	/nfs/dbraw/zinc/52/35/77/1075523577.db2.gz	OZDMMNLJKISBOC-SUMWQHHRSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676333796	1075523583	/nfs/dbraw/zinc/52/35/83/1075523583.db2.gz	OZDMMNLJKISBOC-SUMWQHHRSA-N	1	1	405.524	1.512	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676333374	1075523858	/nfs/dbraw/zinc/52/38/58/1075523858.db2.gz	LFLRAUKVJQLVKW-XLIONFOSSA-N	1	1	402.539	1.786	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676333374	1075523864	/nfs/dbraw/zinc/52/38/64/1075523864.db2.gz	LFLRAUKVJQLVKW-XLIONFOSSA-N	1	1	402.539	1.786	20	0		HDADMO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n1	ZINC000429427420	1075524080	/nfs/dbraw/zinc/52/40/80/1075524080.db2.gz	NRUZKALWUVOLRX-HNNXBMFYSA-N	1	1	401.467	1.579	20	0		HDADMO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n1	ZINC000429427420	1075524083	/nfs/dbraw/zinc/52/40/83/1075524083.db2.gz	NRUZKALWUVOLRX-HNNXBMFYSA-N	1	1	401.467	1.579	20	0		HDADMO
O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCO[C@H](CCc2ccccc2)C1	ZINC000543672286	1075524823	/nfs/dbraw/zinc/52/48/23/1075524823.db2.gz	FWVOIJAVFILRFB-JOCHJYFZSA-N	1	1	418.582	1.420	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1	ZINC000676365912	1075525606	/nfs/dbraw/zinc/52/56/06/1075525606.db2.gz	FMYOYXRJJXLXRM-ZDUSSCGKSA-N	1	1	400.483	1.570	20	0		HDADMO
O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000731809231	1075527358	/nfs/dbraw/zinc/52/73/58/1075527358.db2.gz	RFOFCYSLAGYNDP-UONOGXRCSA-N	1	1	406.533	1.655	20	0		HDADMO
CC(C)(O)[C@@H]1CCCN1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000543671940	1075527715	/nfs/dbraw/zinc/52/77/15/1075527715.db2.gz	DWVAMOLFWIRALN-OALUTQOASA-N	1	1	402.539	1.829	20	0		HDADMO
C[C@](CO)([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1	ZINC000731845095	1075530046	/nfs/dbraw/zinc/53/00/46/1075530046.db2.gz	XOTSPJGEZFMCOM-XZOQPEGZSA-N	1	1	424.501	1.458	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000676386600	1075534467	/nfs/dbraw/zinc/53/44/67/1075534467.db2.gz	LEGCTFYXWQNOSE-JKSUJKDBSA-N	1	1	400.479	1.177	20	0		HDADMO
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676401660	1075544112	/nfs/dbraw/zinc/54/41/12/1075544112.db2.gz	AYUAMILTXRSCRX-DOMZBBRYSA-N	1	1	403.483	1.089	20	0		HDADMO
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676401660	1075544119	/nfs/dbraw/zinc/54/41/19/1075544119.db2.gz	AYUAMILTXRSCRX-DOMZBBRYSA-N	1	1	403.483	1.089	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1	ZINC000731843289	1075547694	/nfs/dbraw/zinc/54/76/94/1075547694.db2.gz	OJGNQSXKKCAZQM-JOCHJYFZSA-N	1	1	415.582	1.564	20	0		HDADMO
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NCCCNc2ccc(C)c[nH+]2)s1	ZINC000569274241	1075548011	/nfs/dbraw/zinc/54/80/11/1075548011.db2.gz	FYUWFWHPEBBBLP-ZIAGYGMSSA-N	1	1	419.555	2.568	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)s1	ZINC000676478386	1075560215	/nfs/dbraw/zinc/56/02/15/1075560215.db2.gz	SUBSIMZQJYGIRI-INIZCTEOSA-N	1	1	408.549	1.511	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)s1	ZINC000676478386	1075560220	/nfs/dbraw/zinc/56/02/20/1075560220.db2.gz	SUBSIMZQJYGIRI-INIZCTEOSA-N	1	1	408.549	1.511	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)CN3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1OC	ZINC000509416094	1075561632	/nfs/dbraw/zinc/56/16/32/1075561632.db2.gz	LXFRKJFYATWPBM-MOPGFXCFSA-N	1	1	418.582	1.681	20	0		HDADMO
CC[C@H](O)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676465573	1075561714	/nfs/dbraw/zinc/56/17/14/1075561714.db2.gz	LHRPDFCHPAAFAP-SFTDATJTSA-N	1	1	404.555	1.376	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)CN3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1OC	ZINC000509416098	1075561873	/nfs/dbraw/zinc/56/18/73/1075561873.db2.gz	LXFRKJFYATWPBM-RBUKOAKNSA-N	1	1	418.582	1.681	20	0		HDADMO
C[C@@H](C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)N1CC[NH+](C)CC1	ZINC000564757535	1075563657	/nfs/dbraw/zinc/56/36/57/1075563657.db2.gz	PRBCETBXZZQPGA-NSHDSACASA-N	1	1	410.291	2.553	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1)c1ccc(S(N)(=O)=O)cc1	ZINC000676478727	1075565923	/nfs/dbraw/zinc/56/59/23/1075565923.db2.gz	OTNLCCYQFYXRPV-YQQAZPJKSA-N	1	1	405.524	1.433	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1nc2ccccc2s1	ZINC000804162952	1075566912	/nfs/dbraw/zinc/56/69/12/1075566912.db2.gz	XRUQPCXGVYGXOV-CABCVRRESA-N	1	1	402.520	1.654	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2s1	ZINC000804163700	1075567675	/nfs/dbraw/zinc/56/76/75/1075567675.db2.gz	CXRCHMDMEYBKRM-CQSZACIVSA-N	1	1	403.552	1.616	20	0		HDADMO
CCC(=O)N1CC[C@H](C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000676503093	1075570922	/nfs/dbraw/zinc/57/09/22/1075570922.db2.gz	XJLBVDJCMBZYLP-KRWDZBQOSA-N	1	1	415.538	1.094	20	0		HDADMO
CCn1nc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C1CC1	ZINC000541969253	1075571260	/nfs/dbraw/zinc/57/12/60/1075571260.db2.gz	LJGPPHDATIVYIE-SFHVURJKSA-N	1	1	411.506	1.602	20	0		HDADMO
C[C@@H](CN1CCOCC1)Nc1cc(N[C@@H](C)C[NH+]2CCOCC2)c2ccncc2n1	ZINC000555896334	1075571747	/nfs/dbraw/zinc/57/17/47/1075571747.db2.gz	MVLACFFPOKKWGR-ROUUACIJSA-N	1	1	414.554	1.895	20	0		HDADMO
CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO	ZINC001546537363	1075581820	/nfs/dbraw/zinc/58/18/20/1075581820.db2.gz	QJWULQMRCIHYEH-CVEARBPZSA-N	1	1	418.508	1.760	20	0		HDADMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1	ZINC000676529412	1075582179	/nfs/dbraw/zinc/58/21/79/1075582179.db2.gz	MWXKPLDSQYTGBX-MRXNPFEDSA-N	1	1	413.540	1.398	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000731980133	1075582519	/nfs/dbraw/zinc/58/25/19/1075582519.db2.gz	GWKRBEQZTOPLAN-SFHVURJKSA-N	1	1	418.494	1.541	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)C1	ZINC000676551120	1075584032	/nfs/dbraw/zinc/58/40/32/1075584032.db2.gz	JYLHOXMCDGCNCF-FQEVSTJZSA-N	1	1	418.501	1.998	20	0		HDADMO
O=C(CC[NH+]1CCN(c2ncc(F)cn2)CC1)Nc1ccc(N2CCCC2=O)cc1	ZINC000546834391	1075589261	/nfs/dbraw/zinc/58/92/61/1075589261.db2.gz	QRTLMIXUNGMZLP-UHFFFAOYSA-N	1	1	412.469	1.893	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000676546104	1075591159	/nfs/dbraw/zinc/59/11/59/1075591159.db2.gz	LHGDRMYWWHKBBK-UHFFFAOYSA-N	1	1	418.501	1.999	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1	ZINC000732058167	1075597301	/nfs/dbraw/zinc/59/73/01/1075597301.db2.gz	XMZQWPNCMPYCAR-DGSRBQDKSA-N	1	1	421.545	1.949	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1	ZINC000732058167	1075597308	/nfs/dbraw/zinc/59/73/08/1075597308.db2.gz	XMZQWPNCMPYCAR-DGSRBQDKSA-N	1	1	421.545	1.949	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1	ZINC000732058167	1075597312	/nfs/dbraw/zinc/59/73/12/1075597312.db2.gz	XMZQWPNCMPYCAR-DGSRBQDKSA-N	1	1	421.545	1.949	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)OCC(F)(F)F)c2)CCO1	ZINC000732062712	1075598966	/nfs/dbraw/zinc/59/89/66/1075598966.db2.gz	WEYOMGLLJHQOFI-CYBMUJFWSA-N	1	1	403.401	1.812	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)OCC(F)(F)F)c2)CCO1	ZINC000732062712	1075598969	/nfs/dbraw/zinc/59/89/69/1075598969.db2.gz	WEYOMGLLJHQOFI-CYBMUJFWSA-N	1	1	403.401	1.812	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)[NH+]2CCCC2)o1	ZINC000804178829	1075605491	/nfs/dbraw/zinc/60/54/91/1075605491.db2.gz	QIILBUYQXHQBIN-SJORKVTESA-N	1	1	405.495	1.453	20	0		HDADMO
CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1	ZINC000804176601	1075608476	/nfs/dbraw/zinc/60/84/76/1075608476.db2.gz	CLWALZWDBDOMFY-CYBMUJFWSA-N	1	1	420.491	1.627	20	0		HDADMO
CN(CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)OC(C)(C)C	ZINC000804179613	1075609650	/nfs/dbraw/zinc/60/96/50/1075609650.db2.gz	JLALLRXXKMFPGD-KRWDZBQOSA-N	1	1	410.559	1.883	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)[NH+]2CCCC2)o1	ZINC000804178523	1075612110	/nfs/dbraw/zinc/61/21/10/1075612110.db2.gz	MPXCNSNAIZRIQE-GOEBONIOSA-N	1	1	422.526	1.871	20	0		HDADMO
COC1(CNC(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CCOCC1	ZINC000676612307	1075615171	/nfs/dbraw/zinc/61/51/71/1075615171.db2.gz	FNHMUXASNBZPPP-UHFFFAOYSA-N	1	1	404.555	1.641	20	0		HDADMO
CCN(C1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1)S(C)(=O)=O	ZINC000462842004	1075616237	/nfs/dbraw/zinc/61/62/37/1075616237.db2.gz	BYULGCSVNPAKMT-UHFFFAOYSA-N	1	1	409.512	1.480	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)CN1CC[NH+](C)CC1	ZINC000676618333	1075617953	/nfs/dbraw/zinc/61/79/53/1075617953.db2.gz	SDLIPWDDLXGVMB-CYBMUJFWSA-N	1	1	408.453	1.370	20	0		HDADMO
CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CN3CCN(C)CC3)c2C1	ZINC000429456662	1075624571	/nfs/dbraw/zinc/62/45/71/1075624571.db2.gz	RVQWSFNUVKPPDZ-QZTJIDSGSA-N	1	1	415.582	1.737	20	0		HDADMO
CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CN3CCN(C)CC3)c2C1	ZINC000429456662	1075624573	/nfs/dbraw/zinc/62/45/73/1075624573.db2.gz	RVQWSFNUVKPPDZ-QZTJIDSGSA-N	1	1	415.582	1.737	20	0		HDADMO
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1=O	ZINC000732127581	1075630541	/nfs/dbraw/zinc/63/05/41/1075630541.db2.gz	LLYVHBLWANALHQ-XMSQKQJNSA-N	1	1	414.506	1.167	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)N(C)CCC[NH+]2CCN(C)CC2)C(F)(F)F)n1	ZINC000732113993	1075635495	/nfs/dbraw/zinc/63/54/95/1075635495.db2.gz	JXODUQIFCREBAE-INIZCTEOSA-N	1	1	408.490	1.687	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1	ZINC000732113006	1075635561	/nfs/dbraw/zinc/63/55/61/1075635561.db2.gz	BXIFVBUMNSIBSK-UHFFFAOYSA-N	1	1	404.536	1.592	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CCN1CCO	ZINC000429457222	1075645561	/nfs/dbraw/zinc/64/55/61/1075645561.db2.gz	YEZMMSOCOWNVBU-GOSISDBHSA-N	1	1	415.538	1.504	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1	ZINC000732149241	1075649875	/nfs/dbraw/zinc/64/98/75/1075649875.db2.gz	FGOCKUMHQSFJIX-AMRJIULGSA-N	1	1	423.546	1.762	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000732149279	1075650323	/nfs/dbraw/zinc/65/03/23/1075650323.db2.gz	GCLSCKUAQHSOFC-CKOFDZGGSA-N	1	1	420.579	1.061	20	0		HDADMO
CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000676702582	1075651795	/nfs/dbraw/zinc/65/17/95/1075651795.db2.gz	WKURMZSAMMTUDW-FQEVSTJZSA-N	1	1	416.566	1.518	20	0		HDADMO
Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000027345329	1075652458	/nfs/dbraw/zinc/65/24/58/1075652458.db2.gz	QZPHVGXGHUTNPG-QGZVFWFLSA-N	1	1	410.927	1.893	20	0		HDADMO
O=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676691309	1075653203	/nfs/dbraw/zinc/65/32/03/1075653203.db2.gz	UKVJGMLAFLJLOP-NRFANRHFSA-N	1	1	409.534	1.954	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c1=O	ZINC000732190421	1075655449	/nfs/dbraw/zinc/65/54/49/1075655449.db2.gz	XNEGBGLARWCNCC-INIZCTEOSA-N	1	1	421.567	1.199	20	0		HDADMO
CC(C)CN(C(=O)CON=C(N)C[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000732195144	1075657048	/nfs/dbraw/zinc/65/70/48/1075657048.db2.gz	JJMDVAZSNSTBHA-CVEARBPZSA-N	1	1	402.561	1.031	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCOC[C@H]2C)CC1	ZINC000676711778	1075657803	/nfs/dbraw/zinc/65/78/03/1075657803.db2.gz	IETKKEVDKDGOIN-LJQANCHMSA-N	1	1	402.539	1.497	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000732181112	1075662927	/nfs/dbraw/zinc/66/29/27/1075662927.db2.gz	YADRJRKIXFRLAC-NRFANRHFSA-N	1	1	404.511	1.160	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1	ZINC000732206803	1075664062	/nfs/dbraw/zinc/66/40/62/1075664062.db2.gz	DFXQFTXCQBXMPH-KRWDZBQOSA-N	1	1	404.486	1.135	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@H+](CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)C1	ZINC000732206802	1075664119	/nfs/dbraw/zinc/66/41/19/1075664119.db2.gz	DBAXRURXGBLYEL-YJBOKZPZSA-N	1	1	400.479	1.268	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@@H+](CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)C1	ZINC000732206802	1075664121	/nfs/dbraw/zinc/66/41/21/1075664121.db2.gz	DBAXRURXGBLYEL-YJBOKZPZSA-N	1	1	400.479	1.268	20	0		HDADMO
COc1cc(CNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc(OC)c1OC	ZINC000732209858	1075666306	/nfs/dbraw/zinc/66/63/06/1075666306.db2.gz	AZAUFNICHVSEJT-KRWDZBQOSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(CNC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc(OC)c1OC	ZINC000732209858	1075666307	/nfs/dbraw/zinc/66/63/07/1075666307.db2.gz	AZAUFNICHVSEJT-KRWDZBQOSA-N	1	1	419.522	1.806	20	0		HDADMO
CC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000676720772	1075667200	/nfs/dbraw/zinc/66/72/00/1075667200.db2.gz	YLCVZOVMGJZNJN-JOCHJYFZSA-N	1	1	406.530	1.898	20	0		HDADMO
CC(=O)N[C@H]1Cc2ccccc2N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000676720773	1075667350	/nfs/dbraw/zinc/66/73/50/1075667350.db2.gz	YLCVZOVMGJZNJN-QFIPXVFZSA-N	1	1	406.530	1.898	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@@H]3CC[N@H+](C4CC4)C3)CC2)c(F)c1	ZINC000732213879	1075669334	/nfs/dbraw/zinc/66/93/34/1075669334.db2.gz	IXYMSIMGRQAIHP-LJQANCHMSA-N	1	1	402.514	1.845	20	0		HDADMO
Cc1n[nH]cc1S(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1	ZINC000732216179	1075670971	/nfs/dbraw/zinc/67/09/71/1075670971.db2.gz	OLRXXXFBBZVXSE-KRWDZBQOSA-N	1	1	403.508	1.002	20	0		HDADMO
COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)cc1	ZINC000732203857	1075675433	/nfs/dbraw/zinc/67/54/33/1075675433.db2.gz	KGUYFRMCASCDJG-NRFANRHFSA-N	1	1	401.482	1.915	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1	ZINC001545675296	1075677886	/nfs/dbraw/zinc/67/78/86/1075677886.db2.gz	VOFGEYGWYVASDK-SCTDSRPQSA-N	1	1	411.554	1.709	20	0		HDADMO
COc1ccc(COC[C@@H](O)C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1OC	ZINC000429256163	1075691334	/nfs/dbraw/zinc/69/13/34/1075691334.db2.gz	VLWNNMMXMNAOJX-KRWDZBQOSA-N	1	1	401.525	1.338	20	0		HDADMO
COc1ccc(COC[C@H](O)C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1OC	ZINC000429256164	1075691358	/nfs/dbraw/zinc/69/13/58/1075691358.db2.gz	VLWNNMMXMNAOJX-QGZVFWFLSA-N	1	1	401.525	1.338	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1	ZINC000553512250	1075693067	/nfs/dbraw/zinc/69/30/67/1075693067.db2.gz	AMMMOFUYTRXKBJ-MRXNPFEDSA-N	1	1	417.558	1.407	20	0		HDADMO
COc1cc(C[NH+]2CCN(c3ncnc4nc(N)ccc43)CC2)cc(OC)c1OC	ZINC000534147487	1075696152	/nfs/dbraw/zinc/69/61/52/1075696152.db2.gz	IFXZVVSMHFVTFU-UHFFFAOYSA-N	1	1	410.478	1.955	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2nnc(Cc3ccccc3F)s2)CC[N@H+]1CC(C)(C)O	ZINC000444821232	1075698476	/nfs/dbraw/zinc/69/84/76/1075698476.db2.gz	YWQWXFBSCVGBBM-CYBMUJFWSA-N	1	1	407.515	2.577	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)[C@H]2C1	ZINC001084993273	1075699666	/nfs/dbraw/zinc/69/96/66/1075699666.db2.gz	WCFMMWQJDFKNBB-ZNGBIBEOSA-N	1	1	410.518	1.906	20	0		HDADMO
COc1cc2[nH+]c(NC[C@@H]3CN(Cc4ccccc4)CCO3)nc(N)c2cc1OC	ZINC000599441202	1075702215	/nfs/dbraw/zinc/70/22/15/1075702215.db2.gz	ULYGYOKZUDOKLG-MRXNPFEDSA-N	1	1	409.490	1.964	20	0		HDADMO
C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O	ZINC000429466368	1075704540	/nfs/dbraw/zinc/70/45/40/1075704540.db2.gz	YPSGSUIFCZIRPQ-ILXRZTDVSA-N	1	1	406.449	1.292	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446805682	1075704751	/nfs/dbraw/zinc/70/47/51/1075704751.db2.gz	GOCHZKBWMYTARV-GDBMZVCRSA-N	1	1	423.439	2.411	20	0		HDADMO
COc1cc2[nH+]c(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)nc(N)c2cc1OC	ZINC000561338693	1075705319	/nfs/dbraw/zinc/70/53/19/1075705319.db2.gz	QKVBERXKALPDJE-LBPRGKRZSA-N	1	1	409.512	1.337	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCOC2(CCCC2)C1	ZINC000509437248	1075705641	/nfs/dbraw/zinc/70/56/41/1075705641.db2.gz	IXEPGLMIYQCAEX-LJQANCHMSA-N	1	1	414.550	1.485	20	0		HDADMO
COc1cc2[nH+]c(N3CC[C@H](S(=O)(=O)N4CCCC4)C3)nc(N)c2cc1OC	ZINC000486915417	1075707114	/nfs/dbraw/zinc/70/71/14/1075707114.db2.gz	XOXPYKZXBQRHJV-LBPRGKRZSA-N	1	1	407.496	1.234	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000549165462	1075709784	/nfs/dbraw/zinc/70/97/84/1075709784.db2.gz	JFFPDSFSWVOZAB-WBVHZDCISA-N	1	1	411.506	1.757	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000549165462	1075709790	/nfs/dbraw/zinc/70/97/90/1075709790.db2.gz	JFFPDSFSWVOZAB-WBVHZDCISA-N	1	1	411.506	1.757	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000550834575	1075714079	/nfs/dbraw/zinc/71/40/79/1075714079.db2.gz	BRLUHUKJGBJEFM-OCCSQVGLSA-N	1	1	401.433	1.618	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1	ZINC000509438804	1075715384	/nfs/dbraw/zinc/71/53/84/1075715384.db2.gz	COCQTFMBZKTVTP-DBXWQHBBSA-N	1	1	414.550	1.339	20	0		HDADMO
CCc1cnc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)s1	ZINC000509438754	1075716636	/nfs/dbraw/zinc/71/66/36/1075716636.db2.gz	NTQZDTCANLZCDK-INIZCTEOSA-N	1	1	415.563	1.649	20	0		HDADMO
Cc1cscc1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439861	1075720057	/nfs/dbraw/zinc/72/00/57/1075720057.db2.gz	FSFDLKSNGBXQRG-KRWDZBQOSA-N	1	1	400.548	2.000	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H](C)C1CCOCC1	ZINC000509441324	1075722380	/nfs/dbraw/zinc/72/23/80/1075722380.db2.gz	VLLFQKOXFABRFR-QZTJIDSGSA-N	1	1	402.539	1.245	20	0		HDADMO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000437218772	1075722679	/nfs/dbraw/zinc/72/26/79/1075722679.db2.gz	MPNLXGYCDLTRDC-UHFFFAOYSA-N	1	1	410.453	1.935	20	0		HDADMO
C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509442273	1075726687	/nfs/dbraw/zinc/72/66/87/1075726687.db2.gz	NUONMCULHPJKCW-IRFCIJBXSA-N	1	1	416.566	1.465	20	0		HDADMO
Nc1nc(CN2CC[NH+](C[C@@H](O)COc3ccccc3F)CC2)nc2ccccc12	ZINC000438652311	1075730789	/nfs/dbraw/zinc/73/07/89/1075730789.db2.gz	ATQVWZPDVTVXBK-MRXNPFEDSA-N	1	1	411.481	1.909	20	0		HDADMO
Cc1sc(CNC(=O)N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)nc1C(C)C	ZINC000443427766	1075733811	/nfs/dbraw/zinc/73/38/11/1075733811.db2.gz	IZZTUZRSZQRMPH-AWEZNQCLSA-N	1	1	419.555	2.069	20	0		HDADMO
Cc1sc(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)nc1C(C)C	ZINC000443427766	1075733820	/nfs/dbraw/zinc/73/38/20/1075733820.db2.gz	IZZTUZRSZQRMPH-AWEZNQCLSA-N	1	1	419.555	2.069	20	0		HDADMO
COc1cccc(CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000509442863	1075735828	/nfs/dbraw/zinc/73/58/28/1075735828.db2.gz	UYHBJYHLVRAKPE-IBGZPJMESA-N	1	1	424.545	1.981	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@]1(C)CCCO	ZINC000509442837	1075735925	/nfs/dbraw/zinc/73/59/25/1075735925.db2.gz	UQURVGKTEMZUEI-XXBNENTESA-N	1	1	416.566	1.467	20	0		HDADMO
C[NH+](C)CCn1ccc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1	ZINC000467388178	1075738439	/nfs/dbraw/zinc/73/84/39/1075738439.db2.gz	JPWVBMKEOZZCOM-OAHLLOKOSA-N	1	1	422.415	2.493	20	0		HDADMO
O=C1CCCN1C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000732413214	1075738696	/nfs/dbraw/zinc/73/86/96/1075738696.db2.gz	QVHKMYNAHVUMAW-ROUUACIJSA-N	1	1	400.479	1.341	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c(OC)c1	ZINC000732413439	1075739460	/nfs/dbraw/zinc/73/94/60/1075739460.db2.gz	UWCOHUAESBNDDI-ZWKOTPCHSA-N	1	1	420.506	1.698	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000732449465	1075741137	/nfs/dbraw/zinc/74/11/37/1075741137.db2.gz	SOEMDYYGJMJEEX-SFHVURJKSA-N	1	1	423.558	1.382	20	0		HDADMO
CC(C)[C@H](NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1nncn1C	ZINC000509259981	1075742020	/nfs/dbraw/zinc/74/20/20/1075742020.db2.gz	YTXUZNYAJIWHEA-SFHVURJKSA-N	1	1	405.547	1.098	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](c1nccn1C)c1ccccc1OC	ZINC000732442022	1075744931	/nfs/dbraw/zinc/74/49/31/1075744931.db2.gz	RCZZZUSLELGKQW-LPHOPBHVSA-N	1	1	401.511	1.928	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)CC1	ZINC000732445084	1075746640	/nfs/dbraw/zinc/74/66/40/1075746640.db2.gz	BYQIEGAHXLOBON-SFHVURJKSA-N	1	1	407.559	1.164	20	0		HDADMO
C[NH+]1CCN([C@@H](C(=O)NCCN2CCc3ccccc3C2=O)c2ccccc2)CC1	ZINC000466640213	1075748569	/nfs/dbraw/zinc/74/85/69/1075748569.db2.gz	LAQWPMNZWPSMMA-JOCHJYFZSA-N	1	1	406.530	1.790	20	0		HDADMO
Nc1nc(-n2cccn2)cc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000553336047	1075749384	/nfs/dbraw/zinc/74/93/84/1075749384.db2.gz	FQYIWVPCAAJFCJ-LJQANCHMSA-N	1	1	404.522	1.641	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1	ZINC000560836140	1075759614	/nfs/dbraw/zinc/75/96/14/1075759614.db2.gz	YWYBAMMSFNDKPG-SFHVURJKSA-N	1	1	407.522	1.641	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1	ZINC000560836140	1075759620	/nfs/dbraw/zinc/75/96/20/1075759620.db2.gz	YWYBAMMSFNDKPG-SFHVURJKSA-N	1	1	407.522	1.641	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F	ZINC000732485177	1075762028	/nfs/dbraw/zinc/76/20/28/1075762028.db2.gz	NMWYRDLQKZETER-JTQLQIEISA-N	1	1	406.886	1.955	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000470946052	1075774056	/nfs/dbraw/zinc/77/40/56/1075774056.db2.gz	OJVUAZNUULMXJE-MRXNPFEDSA-N	1	1	400.458	1.217	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000470946052	1075774063	/nfs/dbraw/zinc/77/40/63/1075774063.db2.gz	OJVUAZNUULMXJE-MRXNPFEDSA-N	1	1	400.458	1.217	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C1CC1	ZINC000804222963	1075774918	/nfs/dbraw/zinc/77/49/18/1075774918.db2.gz	FRPKOOATDGKTIY-CVEARBPZSA-N	1	1	410.559	1.739	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1	ZINC000142198866	1075776645	/nfs/dbraw/zinc/77/66/45/1075776645.db2.gz	YKQBRLOPLGGNRG-GOSISDBHSA-N	1	1	419.526	1.216	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)C1CC1	ZINC000804225730	1075777758	/nfs/dbraw/zinc/77/77/58/1075777758.db2.gz	SKIWJJFSRQGWIR-OAHLLOKOSA-N	1	1	410.559	1.739	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CCC[C@H](CO)C3)CC2)cc1OC	ZINC000016337862	1075785816	/nfs/dbraw/zinc/78/58/16/1075785816.db2.gz	ATQOSEAJQJWQIQ-SFHVURJKSA-N	1	1	405.539	1.361	20	0		HDADMO
Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000672058013	1075788834	/nfs/dbraw/zinc/78/88/34/1075788834.db2.gz	YJOGMHGAQVVLGJ-GOSISDBHSA-N	1	1	411.550	1.373	20	0		HDADMO
CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732562545	1075789028	/nfs/dbraw/zinc/78/90/28/1075789028.db2.gz	GIGTUZDZNZJOPQ-HNNXBMFYSA-N	1	1	420.608	1.922	20	0		HDADMO
CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732562545	1075789031	/nfs/dbraw/zinc/78/90/31/1075789031.db2.gz	GIGTUZDZNZJOPQ-HNNXBMFYSA-N	1	1	420.608	1.922	20	0		HDADMO
C[N@H+]1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1(C)C	ZINC000443116816	1075791801	/nfs/dbraw/zinc/79/18/01/1075791801.db2.gz	DMNOLOVYQGYLFK-UHFFFAOYSA-N	1	1	418.929	1.606	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1	ZINC000551045816	1075797853	/nfs/dbraw/zinc/79/78/53/1075797853.db2.gz	YFYLPSAXYZKUJQ-AWEZNQCLSA-N	1	1	415.460	1.867	20	0		HDADMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1	ZINC000435305428	1075808412	/nfs/dbraw/zinc/80/84/12/1075808412.db2.gz	HCNBPOBAWWKRRL-HNNXBMFYSA-N	1	1	404.511	2.157	20	0		HDADMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)Nc3nc4ccccn4n3)CC2)C[C@H](C)O1	ZINC000545404354	1075808989	/nfs/dbraw/zinc/80/89/89/1075808989.db2.gz	RCRRFBKAFNTTRE-HOTGVXAUSA-N	1	1	402.499	1.851	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000462802395	1075809969	/nfs/dbraw/zinc/80/99/69/1075809969.db2.gz	MSBCINGLTBZETE-WMLDXEAASA-N	1	1	422.489	2.019	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611036412	1075817878	/nfs/dbraw/zinc/81/78/78/1075817878.db2.gz	UCYIVJKMGQRSCS-SFHVURJKSA-N	1	1	403.527	1.571	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1	ZINC000732658868	1075819132	/nfs/dbraw/zinc/81/91/32/1075819132.db2.gz	CYFGFPMCVRMKIY-ROUUACIJSA-N	1	1	406.433	1.399	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1	ZINC000732661168	1075819695	/nfs/dbraw/zinc/81/96/95/1075819695.db2.gz	RNBCLVUDWPWRJI-UHFFFAOYSA-N	1	1	406.512	1.087	20	0		HDADMO
CSC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1	ZINC000429285382	1075820388	/nfs/dbraw/zinc/82/03/88/1075820388.db2.gz	OBRRRSBPPTTXBJ-HNNXBMFYSA-N	1	1	403.556	1.087	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732674161	1075828525	/nfs/dbraw/zinc/82/85/25/1075828525.db2.gz	DDJRTVIKPJQFKI-ZDUSSCGKSA-N	1	1	414.494	1.722	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C[C@H]1C	ZINC000611100451	1075833861	/nfs/dbraw/zinc/83/38/61/1075833861.db2.gz	FOZBEOTXOBSPEB-OAHLLOKOSA-N	1	1	402.495	1.565	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C[C@H]1C	ZINC000611100451	1075833866	/nfs/dbraw/zinc/83/38/66/1075833866.db2.gz	FOZBEOTXOBSPEB-OAHLLOKOSA-N	1	1	402.495	1.565	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000611097555	1075841928	/nfs/dbraw/zinc/84/19/28/1075841928.db2.gz	HLZIBWQAAAVJQU-RDTXWAMCSA-N	1	1	401.467	1.808	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000611097555	1075841937	/nfs/dbraw/zinc/84/19/37/1075841937.db2.gz	HLZIBWQAAAVJQU-RDTXWAMCSA-N	1	1	401.467	1.808	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000732778494	1075855266	/nfs/dbraw/zinc/85/52/66/1075855266.db2.gz	DBZCHQBTRXZBNM-QGZVFWFLSA-N	1	1	414.579	1.827	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000732778494	1075855269	/nfs/dbraw/zinc/85/52/69/1075855269.db2.gz	DBZCHQBTRXZBNM-QGZVFWFLSA-N	1	1	414.579	1.827	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000732778493	1075855293	/nfs/dbraw/zinc/85/52/93/1075855293.db2.gz	DBZCHQBTRXZBNM-KRWDZBQOSA-N	1	1	414.579	1.827	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000732778493	1075855296	/nfs/dbraw/zinc/85/52/96/1075855296.db2.gz	DBZCHQBTRXZBNM-KRWDZBQOSA-N	1	1	414.579	1.827	20	0		HDADMO
CON(C)S(=O)(=O)c1cc(C(=O)NCC[NH+]2CCSCC2)ccc1Cl	ZINC000732777858	1075857189	/nfs/dbraw/zinc/85/71/89/1075857189.db2.gz	ZRBGERHXAWLPRL-UHFFFAOYSA-N	1	1	407.945	1.301	20	0		HDADMO
CN(C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732788945	1075857759	/nfs/dbraw/zinc/85/77/59/1075857759.db2.gz	VFIKWLULPKOJTJ-IAGOWNOFSA-N	1	1	412.456	1.597	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1	ZINC000575078267	1075859214	/nfs/dbraw/zinc/85/92/14/1075859214.db2.gz	PYPUDJPPBPNMCH-HNNXBMFYSA-N	1	1	417.535	2.292	20	0		HDADMO
O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000437848489	1075862077	/nfs/dbraw/zinc/86/20/77/1075862077.db2.gz	NUQBHJYIPXWXMK-HNNXBMFYSA-N	1	1	414.510	2.296	20	0		HDADMO
CCOc1ccc(N2C[C@H](C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2=O)cc1	ZINC000732781518	1075864625	/nfs/dbraw/zinc/86/46/25/1075864625.db2.gz	RMTKEGHYZRWMPA-MSOLQXFVSA-N	1	1	414.550	1.723	20	0		HDADMO
CCOc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2=O)cc1	ZINC000732781518	1075864629	/nfs/dbraw/zinc/86/46/29/1075864629.db2.gz	RMTKEGHYZRWMPA-MSOLQXFVSA-N	1	1	414.550	1.723	20	0		HDADMO
CCOC(=O)c1cnn(-c2ccc(C(=O)N3CC[NH+](C(C)(C)CO)CC3)cc2)c1C	ZINC000611165939	1075865220	/nfs/dbraw/zinc/86/52/20/1075865220.db2.gz	LFHIICMWGWYHLI-UHFFFAOYSA-N	1	1	414.506	1.886	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000732808924	1075871142	/nfs/dbraw/zinc/87/11/42/1075871142.db2.gz	PAUSHGFHAWWRAY-FQEVSTJZSA-N	1	1	402.514	1.951	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000732808924	1075871148	/nfs/dbraw/zinc/87/11/48/1075871148.db2.gz	PAUSHGFHAWWRAY-FQEVSTJZSA-N	1	1	402.514	1.951	20	0		HDADMO
NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732810030	1075871684	/nfs/dbraw/zinc/87/16/84/1075871684.db2.gz	RAPXSLUCYPLHMW-LJQANCHMSA-N	1	1	400.523	1.368	20	0		HDADMO
NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732810030	1075871688	/nfs/dbraw/zinc/87/16/88/1075871688.db2.gz	RAPXSLUCYPLHMW-LJQANCHMSA-N	1	1	400.523	1.368	20	0		HDADMO
NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1	ZINC000732809830	1075872345	/nfs/dbraw/zinc/87/23/45/1075872345.db2.gz	YXWYJNYBSSLFNP-MRXNPFEDSA-N	1	1	408.524	1.140	20	0		HDADMO
COc1cc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc(OC)c1OC	ZINC000732811132	1075872569	/nfs/dbraw/zinc/87/25/69/1075872569.db2.gz	BKWIKKWIWLWTTP-QGZVFWFLSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc(OC)c1OC	ZINC000732811132	1075872574	/nfs/dbraw/zinc/87/25/74/1075872574.db2.gz	BKWIKKWIWLWTTP-QGZVFWFLSA-N	1	1	419.522	1.806	20	0		HDADMO
CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1	ZINC000611209545	1075874793	/nfs/dbraw/zinc/87/47/93/1075874793.db2.gz	CAOWPUHFEOYASP-FQEVSTJZSA-N	1	1	405.539	1.539	20	0		HDADMO
CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1	ZINC000611209546	1075874837	/nfs/dbraw/zinc/87/48/37/1075874837.db2.gz	CAOWPUHFEOYASP-HXUWFJFHSA-N	1	1	405.539	1.539	20	0		HDADMO
COc1ccc(CCN2C(=O)C[C@@H]([N@@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000732818382	1075878332	/nfs/dbraw/zinc/87/83/32/1075878332.db2.gz	DVNBYGOFGSLMHI-AZUAARDMSA-N	1	1	413.518	1.842	20	0		HDADMO
COc1ccc(CCN2C(=O)C[C@@H]([N@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000732818382	1075878338	/nfs/dbraw/zinc/87/83/38/1075878338.db2.gz	DVNBYGOFGSLMHI-AZUAARDMSA-N	1	1	413.518	1.842	20	0		HDADMO
CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@H]1C	ZINC000611225414	1075880700	/nfs/dbraw/zinc/88/07/00/1075880700.db2.gz	WIQIOKORADQSGB-VXGBXAGGSA-N	1	1	411.524	1.983	20	0		HDADMO
COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc3c2ccnc3C(=O)OC)C1	ZINC000611233542	1075883278	/nfs/dbraw/zinc/88/32/78/1075883278.db2.gz	VQYVDVUYUBGSLT-AWEZNQCLSA-N	1	1	407.492	1.411	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc3c2ccnc3C(=O)OC)C1	ZINC000611233542	1075883285	/nfs/dbraw/zinc/88/32/85/1075883285.db2.gz	VQYVDVUYUBGSLT-AWEZNQCLSA-N	1	1	407.492	1.411	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1	ZINC000732838994	1075883564	/nfs/dbraw/zinc/88/35/64/1075883564.db2.gz	NOSIXWSFVKPFIY-UHFFFAOYSA-N	1	1	411.528	1.062	20	0		HDADMO
C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000611244140	1075885100	/nfs/dbraw/zinc/88/51/00/1075885100.db2.gz	DNUKWJQOJVOUEW-SUMWQHHRSA-N	1	1	405.474	1.276	20	0		HDADMO
COC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)CC2	ZINC000611293664	1075894960	/nfs/dbraw/zinc/89/49/60/1075894960.db2.gz	ZFNAHSHPOTZSPE-IBGZPJMESA-N	1	1	400.523	1.709	20	0		HDADMO
COC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2	ZINC000611293664	1075894969	/nfs/dbraw/zinc/89/49/69/1075894969.db2.gz	ZFNAHSHPOTZSPE-IBGZPJMESA-N	1	1	400.523	1.709	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1	ZINC000732895445	1075896136	/nfs/dbraw/zinc/89/61/36/1075896136.db2.gz	AEEQONDWUIESOM-UHFFFAOYSA-N	1	1	400.504	1.000	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1	ZINC000611328063	1075907804	/nfs/dbraw/zinc/90/78/04/1075907804.db2.gz	MCDOETRILUAYLD-QZTJIDSGSA-N	1	1	410.559	1.014	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1	ZINC000732955789	1075930793	/nfs/dbraw/zinc/93/07/93/1075930793.db2.gz	CNMSVRRPJUXFMB-BAOGPQIGSA-N	1	1	424.501	1.754	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(=O)c2cc(Br)ccc2[nH]1	ZINC000732957242	1075931834	/nfs/dbraw/zinc/93/18/34/1075931834.db2.gz	QLOQVXAMPLARAM-STQMWFEESA-N	1	1	406.280	1.884	20	0		HDADMO
Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)c(=O)n2C	ZINC000732984646	1075937848	/nfs/dbraw/zinc/93/78/48/1075937848.db2.gz	ALFQITJUIQLSJP-MRXNPFEDSA-N	1	1	403.433	1.939	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1C	ZINC000611458293	1075939831	/nfs/dbraw/zinc/93/98/31/1075939831.db2.gz	QUXICCLVSAGHPG-OAHLLOKOSA-N	1	1	422.551	1.410	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1C	ZINC000611460041	1075941377	/nfs/dbraw/zinc/94/13/77/1075941377.db2.gz	QNQUFLYBXOWATP-UHFFFAOYSA-N	1	1	402.476	1.834	20	0		HDADMO
CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000611510640	1075951231	/nfs/dbraw/zinc/95/12/31/1075951231.db2.gz	LIZPUMLMKCRKEO-CQSZACIVSA-N	1	1	400.497	1.504	20	0		HDADMO
CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000611510640	1075951233	/nfs/dbraw/zinc/95/12/33/1075951233.db2.gz	LIZPUMLMKCRKEO-CQSZACIVSA-N	1	1	400.497	1.504	20	0		HDADMO
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611516208	1075953165	/nfs/dbraw/zinc/95/31/65/1075953165.db2.gz	ZREAMGNJJUAYNE-KRWDZBQOSA-N	1	1	423.579	1.462	20	0		HDADMO
Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001079139360	1075964787	/nfs/dbraw/zinc/96/47/87/1075964787.db2.gz	PLMKEXUOKSNTFV-PKFZQDLRSA-N	1	1	423.513	1.980	20	0		HDADMO
Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001079139360	1075964789	/nfs/dbraw/zinc/96/47/89/1075964789.db2.gz	PLMKEXUOKSNTFV-PKFZQDLRSA-N	1	1	423.513	1.980	20	0		HDADMO
CC(C)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@]1(O)CC[N@@H+](C)C1	ZINC001691673324	1075965473	/nfs/dbraw/zinc/96/54/73/1075965473.db2.gz	OJIHBWSECBTHNB-IBGZPJMESA-N	1	1	417.539	1.815	20	0		HDADMO
Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cccc(F)c1	ZINC001079192390	1075966927	/nfs/dbraw/zinc/96/69/27/1075966927.db2.gz	DUCMUQZDRFJGQJ-BHQCHZOVSA-N	1	1	411.481	1.462	20	0		HDADMO
Cc1conc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3COC[C@@H]32)CC1	ZINC001079262971	1075968065	/nfs/dbraw/zinc/96/80/65/1075968065.db2.gz	GDZCTZBNCNUHQX-VROUVPMXSA-N	1	1	401.507	1.990	20	0		HDADMO
C[N@@H+]1CC[C@H](NC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1	ZINC000490963324	1075970332	/nfs/dbraw/zinc/97/03/32/1075970332.db2.gz	HASRCPGLPKYCET-RBUKOAKNSA-N	1	1	410.946	1.421	20	0		HDADMO
C[N@H+]1CC[C@H](NC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1	ZINC000490963324	1075970336	/nfs/dbraw/zinc/97/03/36/1075970336.db2.gz	HASRCPGLPKYCET-RBUKOAKNSA-N	1	1	410.946	1.421	20	0		HDADMO
C[C@@H]1C[C@H](CCNC(=O)N(CCO)CCN2CCOCC2)C[N@H+]1Cc1ccccc1	ZINC000490991411	1075970613	/nfs/dbraw/zinc/97/06/13/1075970613.db2.gz	AWMFGAOIPYNLMV-IRLDBZIGSA-N	1	1	418.582	1.623	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CC[NH+](CCc4cccs4)CC3)c2C)no1	ZINC000506778411	1075977405	/nfs/dbraw/zinc/97/74/05/1075977405.db2.gz	SFKJPNVDVGZSDR-UHFFFAOYSA-N	1	1	400.508	1.993	20	0		HDADMO
COc1cccc(OCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001080180442	1075985186	/nfs/dbraw/zinc/98/51/86/1075985186.db2.gz	KCRINEVIUHZBCT-QFIDOLFYSA-N	1	1	404.507	1.562	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C3N=NC(=S)N3C)C2)CC1=O	ZINC000733152527	1075987717	/nfs/dbraw/zinc/98/77/17/1075987717.db2.gz	ZBOUOGFVTWJAEK-BZUAXINKSA-N	1	1	420.583	1.143	20	0		HDADMO
Cn1c(=O)cc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n(C)c1=O	ZINC000493629348	1075991985	/nfs/dbraw/zinc/99/19/85/1075991985.db2.gz	ARHVXXJNSXTQLJ-LBPRGKRZSA-N	1	1	422.411	1.525	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)c(=O)[nH]c21	ZINC000733164435	1075997787	/nfs/dbraw/zinc/99/77/87/1075997787.db2.gz	SRXZIHWMDYTEKL-SREVYHEPSA-N	1	1	414.554	1.803	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N(C)CCN(C)C3CC[NH+](C)CC3)c(=O)[nH]c21	ZINC000733164435	1075997790	/nfs/dbraw/zinc/99/77/90/1075997790.db2.gz	SRXZIHWMDYTEKL-SREVYHEPSA-N	1	1	414.554	1.803	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2C(=S)N=NC2c2cccs2)CC1	ZINC000733171073	1076001323	/nfs/dbraw/zinc/00/13/23/1076001323.db2.gz	VHLMUAMFNUETGT-AWEZNQCLSA-N	1	1	408.597	1.685	20	0		HDADMO
C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000513229474	1076004481	/nfs/dbraw/zinc/00/44/81/1076004481.db2.gz	ZFNABNPVLSVSAR-MISYRCLQSA-N	1	1	405.564	1.401	20	0		HDADMO
C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000513229474	1076004485	/nfs/dbraw/zinc/00/44/85/1076004485.db2.gz	ZFNABNPVLSVSAR-MISYRCLQSA-N	1	1	405.564	1.401	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1F)N1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1	ZINC000733184472	1076011879	/nfs/dbraw/zinc/01/18/79/1076011879.db2.gz	KVHOGHRVRZCSOJ-UHFFFAOYSA-N	1	1	409.462	1.866	20	0		HDADMO
COC[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1	ZINC000733184907	1076011949	/nfs/dbraw/zinc/01/19/49/1076011949.db2.gz	ZABMRXXMVCVTGD-DENIHFKCSA-N	1	1	400.523	1.889	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)no1	ZINC000514019447	1076016062	/nfs/dbraw/zinc/01/60/62/1076016062.db2.gz	DTFRRXNACDSEKL-RDJZCZTQSA-N	1	1	404.515	1.249	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)C2)no1	ZINC000514027054	1076016630	/nfs/dbraw/zinc/01/66/30/1076016630.db2.gz	NNWPUWBEZZUMPT-SOLBZPMBSA-N	1	1	420.558	1.885	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)COc3ccc(C=O)cc3)c2)C1	ZINC000733261412	1076019929	/nfs/dbraw/zinc/01/99/29/1076019929.db2.gz	CRSMRYNBANJWBL-FQEVSTJZSA-N	1	1	409.486	1.892	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)COc3cccc(C=O)c3)c2)C1	ZINC000733262189	1076020193	/nfs/dbraw/zinc/02/01/93/1076020193.db2.gz	HTHKPTDHLSWVCO-HXUWFJFHSA-N	1	1	409.486	1.892	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960590	1076020197	/nfs/dbraw/zinc/02/01/97/1076020197.db2.gz	IIFQBDOGFBCBIW-QQEKQYBASA-N	1	1	408.502	1.611	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960846	1076020453	/nfs/dbraw/zinc/02/04/53/1076020453.db2.gz	VUJAYYKLHWOUKN-IFRDCZHFSA-N	1	1	424.497	1.840	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960846	1076020460	/nfs/dbraw/zinc/02/04/60/1076020460.db2.gz	VUJAYYKLHWOUKN-IFRDCZHFSA-N	1	1	424.497	1.840	20	0		HDADMO
COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)ccc1C	ZINC001081973135	1076021169	/nfs/dbraw/zinc/02/11/69/1076021169.db2.gz	GHUPQOJNOUWVHL-FSAOVCISSA-N	1	1	404.507	1.371	20	0		HDADMO
COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)ccc1C	ZINC001081973135	1076021175	/nfs/dbraw/zinc/02/11/75/1076021175.db2.gz	GHUPQOJNOUWVHL-FSAOVCISSA-N	1	1	404.507	1.371	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973546	1076021302	/nfs/dbraw/zinc/02/13/02/1076021302.db2.gz	MFCKRIXXZGBVSK-WRTQPQOASA-N	1	1	402.491	1.084	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973546	1076021306	/nfs/dbraw/zinc/02/13/06/1076021306.db2.gz	MFCKRIXXZGBVSK-WRTQPQOASA-N	1	1	402.491	1.084	20	0		HDADMO
CO[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081974992	1076021317	/nfs/dbraw/zinc/02/13/17/1076021317.db2.gz	KYFFKWLIWBCKCK-AYZHRIAMSA-N	1	1	404.507	1.241	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081974992	1076021323	/nfs/dbraw/zinc/02/13/23/1076021323.db2.gz	KYFFKWLIWBCKCK-AYZHRIAMSA-N	1	1	404.507	1.241	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(=O)OCc2ccccc2Cl)CC1=O	ZINC000733282663	1076030834	/nfs/dbraw/zinc/03/08/34/1076030834.db2.gz	JNMUYDMMBLZQBA-DLBZAZTESA-N	1	1	421.925	1.832	20	0		HDADMO
CCOC(=O)N(C)C1CC[NH+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1	ZINC000727025787	1076033243	/nfs/dbraw/zinc/03/32/43/1076033243.db2.gz	LPZCQHYPIHDVME-LJQANCHMSA-N	1	1	417.506	1.666	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)NC(=O)N[C@H]1C	ZINC000733310730	1076035825	/nfs/dbraw/zinc/03/58/25/1076035825.db2.gz	UHIFIHUGKLTBPQ-HNNXBMFYSA-N	1	1	414.506	1.742	20	0		HDADMO
COC[C@@]1(C)NC(=O)N(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1=O	ZINC000733291710	1076040155	/nfs/dbraw/zinc/04/01/55/1076040155.db2.gz	PAACYCXYWFJKBD-GOSISDBHSA-N	1	1	414.428	1.737	20	0		HDADMO
CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=S)NCCNS(C)(=O)=O	ZINC000727085147	1076041381	/nfs/dbraw/zinc/04/13/81/1076041381.db2.gz	OJGJDNVOSRWWIA-QGZVFWFLSA-N	1	1	412.625	1.473	20	0		HDADMO
COc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc(Cl)c1OCC(N)=O	ZINC000733329325	1076045417	/nfs/dbraw/zinc/04/54/17/1076045417.db2.gz	QFEZZLKFVDRGRF-INIZCTEOSA-N	1	1	411.930	1.946	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000733338159	1076045923	/nfs/dbraw/zinc/04/59/23/1076045923.db2.gz	RHTOCRBZYZIZTG-MRXNPFEDSA-N	1	1	411.547	1.286	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC2)CC1	ZINC000727133914	1076050592	/nfs/dbraw/zinc/05/05/92/1076050592.db2.gz	VMQTWDCUJBTSMY-UHFFFAOYSA-N	1	1	422.570	1.837	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1	ZINC000727132409	1076050755	/nfs/dbraw/zinc/05/07/55/1076050755.db2.gz	ZHCYLMBREDQEAR-SZMVWBNQSA-N	1	1	422.570	1.881	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccnc2N2CCC(O)CC2)CC1=O	ZINC000733362410	1076053175	/nfs/dbraw/zinc/05/31/75/1076053175.db2.gz	ZPMPOECPQBOUEY-IRXDYDNUSA-N	1	1	415.538	1.314	20	0		HDADMO
CCC[N@@H+](CCO)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1	ZINC000053094401	1076054166	/nfs/dbraw/zinc/05/41/66/1076054166.db2.gz	NJOCBRXOKIXYMR-UHFFFAOYSA-N	1	1	404.374	1.859	20	0		HDADMO
O=C(Cn1ccccc1=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1	ZINC000053196001	1076055101	/nfs/dbraw/zinc/05/51/01/1076055101.db2.gz	SDTNFLQRXZUOJL-UHFFFAOYSA-N	1	1	413.503	1.737	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O	ZINC000727175593	1076069822	/nfs/dbraw/zinc/06/98/22/1076069822.db2.gz	WDJZIGKVNNELLP-GDBMZVCRSA-N	1	1	423.535	1.470	20	0		HDADMO
CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1	ZINC000727375732	1076100728	/nfs/dbraw/zinc/10/07/28/1076100728.db2.gz	UMCLIONUTLMSNK-SFTDATJTSA-N	1	1	414.550	1.930	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)NC(=O)N[C@H]1C	ZINC000727385057	1076102629	/nfs/dbraw/zinc/10/26/29/1076102629.db2.gz	XGMXRIIVWORZAU-LPHOPBHVSA-N	1	1	416.522	1.476	20	0		HDADMO
CN(CC(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1	ZINC000733589175	1076118432	/nfs/dbraw/zinc/11/84/32/1076118432.db2.gz	NKQAYMYIHAROKI-UHFFFAOYSA-N	1	1	403.523	1.817	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCCO1	ZINC000727436433	1076120875	/nfs/dbraw/zinc/12/08/75/1076120875.db2.gz	JCGTVWLPJILUOY-DWKHYPNZSA-N	1	1	404.492	1.345	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCCO1	ZINC000727436433	1076120878	/nfs/dbraw/zinc/12/08/78/1076120878.db2.gz	JCGTVWLPJILUOY-DWKHYPNZSA-N	1	1	404.492	1.345	20	0		HDADMO
O=C(CN1CC(=O)Nc2ccccc21)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000733611064	1076127048	/nfs/dbraw/zinc/12/70/48/1076127048.db2.gz	DVPLBHMCDJIVLD-UHFFFAOYSA-N	1	1	422.485	1.333	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000733648368	1076140041	/nfs/dbraw/zinc/14/00/41/1076140041.db2.gz	IFEHMSWIEPFXJA-NHCUHLMSSA-N	1	1	417.554	1.179	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000733650369	1076141108	/nfs/dbraw/zinc/14/11/08/1076141108.db2.gz	ZGOGSEAQCMARMX-HKUYNNGSSA-N	1	1	402.495	1.766	20	0		HDADMO
COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c1	ZINC000733667661	1076149117	/nfs/dbraw/zinc/14/91/17/1076149117.db2.gz	DDIXXLJWSZQSGA-UHFFFAOYSA-N	1	1	404.467	1.517	20	0		HDADMO
Cn1ncc2c1nc(CCc1nc(-c3ccc(C[NH+]4CCOCC4)cc3)no1)[nH]c2=O	ZINC000733739681	1076191542	/nfs/dbraw/zinc/19/15/42/1076191542.db2.gz	SRIYEXGCWZUOFZ-UHFFFAOYSA-N	1	1	421.461	1.736	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2CN(CC)c3ccccc3O2)CC1	ZINC000733793514	1076199820	/nfs/dbraw/zinc/19/98/20/1076199820.db2.gz	GLBAFWLYEINEAA-MSOLQXFVSA-N	1	1	418.538	1.895	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CN(CC)c3ccccc3O2)CC1	ZINC000733793514	1076199823	/nfs/dbraw/zinc/19/98/23/1076199823.db2.gz	GLBAFWLYEINEAA-MSOLQXFVSA-N	1	1	418.538	1.895	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]([C@@H](C)C3CC3)C3CC3)C2=O)c1	ZINC000733793695	1076201763	/nfs/dbraw/zinc/20/17/63/1076201763.db2.gz	RRLCXHOVFQCBBO-YEJXKQKISA-N	1	1	400.479	1.756	20	0		HDADMO
CCn1cc(CN(C)CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)cn1	ZINC000733790320	1076207684	/nfs/dbraw/zinc/20/76/84/1076207684.db2.gz	KLZIAPBQZGEZCB-JOCHJYFZSA-N	1	1	410.522	1.879	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1	ZINC000733796573	1076215829	/nfs/dbraw/zinc/21/58/29/1076215829.db2.gz	MRSSYKHKGFFQGO-ROUUACIJSA-N	1	1	416.588	1.592	20	0		HDADMO
CCOC[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1	ZINC000733797374	1076216430	/nfs/dbraw/zinc/21/64/30/1076216430.db2.gz	UWSZPUPYAFTGFL-GCJKJVERSA-N	1	1	416.522	1.709	20	0		HDADMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1	ZINC000733797374	1076216435	/nfs/dbraw/zinc/21/64/35/1076216435.db2.gz	UWSZPUPYAFTGFL-GCJKJVERSA-N	1	1	416.522	1.709	20	0		HDADMO
CC(C)(CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[N@H+]1CCc2ccccc2C1	ZINC000727768140	1076221662	/nfs/dbraw/zinc/22/16/62/1076221662.db2.gz	XNYMOTHGCWPZQW-LJQANCHMSA-N	1	1	414.531	1.670	20	0		HDADMO
O=C(CN1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1)N1CCCC1	ZINC000032771293	1076244190	/nfs/dbraw/zinc/24/41/90/1076244190.db2.gz	SVNUUCQHAJHCRJ-RBBKRZOGSA-N	1	1	401.551	1.682	20	0		HDADMO
CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000533846954	1076246135	/nfs/dbraw/zinc/24/61/35/1076246135.db2.gz	CRZOAIBKIDRQJG-FQEVSTJZSA-N	1	1	401.555	1.759	20	0		HDADMO
CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000533846954	1076246139	/nfs/dbraw/zinc/24/61/39/1076246139.db2.gz	CRZOAIBKIDRQJG-FQEVSTJZSA-N	1	1	401.555	1.759	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3c(F)cc(Br)cc3c2=O)C[C@H](C)O1	ZINC000534146125	1076246811	/nfs/dbraw/zinc/24/68/11/1076246811.db2.gz	NSBHCDOPUSQUCC-LOWVWBTDSA-N	1	1	414.275	1.768	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)Cn2cnc3c(F)cc(Br)cc3c2=O)C[C@H](C)O1	ZINC000534146125	1076246816	/nfs/dbraw/zinc/24/68/16/1076246816.db2.gz	NSBHCDOPUSQUCC-LOWVWBTDSA-N	1	1	414.275	1.768	20	0		HDADMO
CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000534559473	1076248866	/nfs/dbraw/zinc/24/88/66/1076248866.db2.gz	KXWMAUKNOGEZDV-IBGZPJMESA-N	1	1	424.567	1.255	20	0		HDADMO
CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000534559473	1076248872	/nfs/dbraw/zinc/24/88/72/1076248872.db2.gz	KXWMAUKNOGEZDV-IBGZPJMESA-N	1	1	424.567	1.255	20	0		HDADMO
COCC(COC)[NH+]1CCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001299319543	1076248869	/nfs/dbraw/zinc/24/88/69/1076248869.db2.gz	VKEOJHZXEFGNHN-KRWDZBQOSA-N	1	1	413.559	1.829	20	0		HDADMO
Cc1nn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)NC(C)(C)C	ZINC000535121651	1076250130	/nfs/dbraw/zinc/25/01/30/1076250130.db2.gz	RXCXWZNJHDWVMY-HEHGZKQESA-N	1	1	402.561	1.047	20	0		HDADMO
Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535317322	1076252698	/nfs/dbraw/zinc/25/26/98/1076252698.db2.gz	IJIKWYMVVOLIEZ-IBGZPJMESA-N	1	1	406.490	1.681	20	0		HDADMO
Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000535317322	1076252700	/nfs/dbraw/zinc/25/27/00/1076252700.db2.gz	IJIKWYMVVOLIEZ-IBGZPJMESA-N	1	1	406.490	1.681	20	0		HDADMO
Cc1nn(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)N1CCCCC1	ZINC000535881027	1076253376	/nfs/dbraw/zinc/25/33/76/1076253376.db2.gz	RZMHQYDSPWWEJU-DAYGRLMNSA-N	1	1	414.572	1.145	20	0		HDADMO
Cc1nn(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)N1CCCCC1	ZINC000535881027	1076253381	/nfs/dbraw/zinc/25/33/81/1076253381.db2.gz	RZMHQYDSPWWEJU-DAYGRLMNSA-N	1	1	414.572	1.145	20	0		HDADMO
C[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCN1c1nccn2cnnc12	ZINC000536025834	1076253830	/nfs/dbraw/zinc/25/38/30/1076253830.db2.gz	BLTGGMXADBJKJP-CRAIPNDOSA-N	1	1	406.494	1.531	20	0		HDADMO
C[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCN1c1nccn2cnnc12	ZINC000536025834	1076253833	/nfs/dbraw/zinc/25/38/33/1076253833.db2.gz	BLTGGMXADBJKJP-CRAIPNDOSA-N	1	1	406.494	1.531	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cc1S(=O)(=O)N1CCCCC1	ZINC001168767234	1076255493	/nfs/dbraw/zinc/25/54/93/1076255493.db2.gz	ZBBMVNOXRDIIQB-QAPCUYQASA-N	1	1	409.552	1.811	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1S(=O)(=O)N1CCCCC1	ZINC001168767234	1076255498	/nfs/dbraw/zinc/25/54/98/1076255498.db2.gz	ZBBMVNOXRDIIQB-QAPCUYQASA-N	1	1	409.552	1.811	20	0		HDADMO
CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+](CCO)[C@@H]1CCc3ccccc31)C2=O	ZINC000733895044	1076256189	/nfs/dbraw/zinc/25/61/89/1076256189.db2.gz	MJRTYNPVBSMAAF-GXPWMBGSSA-N	1	1	414.506	1.500	20	0		HDADMO
CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](CCO)[C@@H]1CCc3ccccc31)C2=O	ZINC000733895044	1076256192	/nfs/dbraw/zinc/25/61/92/1076256192.db2.gz	MJRTYNPVBSMAAF-GXPWMBGSSA-N	1	1	414.506	1.500	20	0		HDADMO
COC(=O)CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C(C)C	ZINC000733896222	1076256382	/nfs/dbraw/zinc/25/63/82/1076256382.db2.gz	LIMJUGJISIXDOA-UHFFFAOYSA-N	1	1	424.523	1.369	20	0		HDADMO
O=S(=O)(NCCN[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000733898344	1076258980	/nfs/dbraw/zinc/25/89/80/1076258980.db2.gz	QXCNQTDSMYXDIL-OAQYLSRUSA-N	1	1	403.548	1.582	20	0		HDADMO
O=S(=O)(NCCN[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000733898344	1076258984	/nfs/dbraw/zinc/25/89/84/1076258984.db2.gz	QXCNQTDSMYXDIL-OAQYLSRUSA-N	1	1	403.548	1.582	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1	ZINC000727828816	1076263353	/nfs/dbraw/zinc/26/33/53/1076263353.db2.gz	NSTBMTFBLARPGH-IBGZPJMESA-N	1	1	402.539	1.884	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(Cc3ccccc3)CC2)CC1	ZINC000727828816	1076263358	/nfs/dbraw/zinc/26/33/58/1076263358.db2.gz	NSTBMTFBLARPGH-IBGZPJMESA-N	1	1	402.539	1.884	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCN(Cc3ccccc3)CC2)CC1	ZINC000727828816	1076263362	/nfs/dbraw/zinc/26/33/62/1076263362.db2.gz	NSTBMTFBLARPGH-IBGZPJMESA-N	1	1	402.539	1.884	20	0		HDADMO
CNC(=O)CC[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O	ZINC000727832996	1076264441	/nfs/dbraw/zinc/26/44/41/1076264441.db2.gz	HVZXEPAQLHIFCK-RVDMUPIBSA-N	1	1	422.482	1.046	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000727838893	1076266307	/nfs/dbraw/zinc/26/63/07/1076266307.db2.gz	SWEBZOZZKMMRIK-GJZGRUSLSA-N	1	1	404.964	1.405	20	0		HDADMO
COCCN1CCC[C@H]1C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000727838893	1076266310	/nfs/dbraw/zinc/26/63/10/1076266310.db2.gz	SWEBZOZZKMMRIK-GJZGRUSLSA-N	1	1	404.964	1.405	20	0		HDADMO
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CCOCC3)C2=O)C1	ZINC000727819357	1076267234	/nfs/dbraw/zinc/26/72/34/1076267234.db2.gz	SHVDRAVPURJTQE-CYBMUJFWSA-N	1	1	421.885	1.444	20	0		HDADMO
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CCOCC3)C2=O)C1	ZINC000727819357	1076267238	/nfs/dbraw/zinc/26/72/38/1076267238.db2.gz	SHVDRAVPURJTQE-CYBMUJFWSA-N	1	1	421.885	1.444	20	0		HDADMO
CC(C)[N@H+]1CCCN(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1	ZINC000727823258	1076268167	/nfs/dbraw/zinc/26/81/67/1076268167.db2.gz	FPNDMYAPKXYTBD-HXUWFJFHSA-N	1	1	422.551	1.231	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000727853021	1076272450	/nfs/dbraw/zinc/27/24/50/1076272450.db2.gz	FCJMUOQRTSWTFW-KBPBESRZSA-N	1	1	420.432	1.090	20	0		HDADMO
CN(CC(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C	ZINC000727893350	1076277257	/nfs/dbraw/zinc/27/72/57/1076277257.db2.gz	FWBUEMYUXBNTOP-UHFFFAOYSA-N	1	1	405.495	1.741	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1	ZINC000733975362	1076280471	/nfs/dbraw/zinc/28/04/71/1076280471.db2.gz	SFKYAAZOZBBKSO-KNTRCKAVSA-N	1	1	410.474	1.331	20	0		HDADMO
COC(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)CC1	ZINC000727946814	1076293215	/nfs/dbraw/zinc/29/32/15/1076293215.db2.gz	PGIBLNFDVDSXQS-OAHLLOKOSA-N	1	1	402.495	1.896	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1	ZINC001545677058	1076299684	/nfs/dbraw/zinc/29/96/84/1076299684.db2.gz	PKVWAUSVWWSZSL-QGZVFWFLSA-N	1	1	414.554	1.738	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]21	ZINC001083148903	1076307826	/nfs/dbraw/zinc/30/78/26/1076307826.db2.gz	MRRQYCNKRJZSAP-FVCOPRDSSA-N	1	1	402.466	1.540	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]21	ZINC001083148903	1076307829	/nfs/dbraw/zinc/30/78/29/1076307829.db2.gz	MRRQYCNKRJZSAP-FVCOPRDSSA-N	1	1	402.466	1.540	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000728023917	1076308835	/nfs/dbraw/zinc/30/88/35/1076308835.db2.gz	JYVIEXLWHVTYBG-OAHLLOKOSA-N	1	1	414.572	1.357	20	0		HDADMO
Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)c(=O)n(-c2ccccc2)n1C	ZINC000728053424	1076320695	/nfs/dbraw/zinc/32/06/95/1076320695.db2.gz	JYIZPPVQVQBMTF-IRXDYDNUSA-N	1	1	414.506	1.896	20	0		HDADMO
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000728054602	1076321837	/nfs/dbraw/zinc/32/18/37/1076321837.db2.gz	XSKRYDJJTVDLEA-HNAYVOBHSA-N	1	1	415.490	1.453	20	0		HDADMO
CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2CC[NH+](CC(C)(C)O)CC2)cc1	ZINC000728055155	1076322875	/nfs/dbraw/zinc/32/28/75/1076322875.db2.gz	KTPZCXGTWNSTEY-UHFFFAOYSA-N	1	1	413.566	1.804	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(O)(c1ccccc1)c1ccccc1	ZINC000728072242	1076333017	/nfs/dbraw/zinc/33/30/17/1076333017.db2.gz	AUMMJCVPZNNXEW-OAQYLSRUSA-N	1	1	409.530	1.981	20	0		HDADMO
COc1ccc(C2N=NC(=S)N2CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000728125690	1076338523	/nfs/dbraw/zinc/33/85/23/1076338523.db2.gz	JOWMJDWEOGAWST-QGZVFWFLSA-N	1	1	417.535	1.566	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccco1	ZINC000728136738	1076340349	/nfs/dbraw/zinc/34/03/49/1076340349.db2.gz	WUJGAQFRZYZQIS-QGZVFWFLSA-N	1	1	404.442	1.613	20	0		HDADMO
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1	ZINC000024713581	1076346087	/nfs/dbraw/zinc/34/60/87/1076346087.db2.gz	IBLCTQHDTJZCPN-UHFFFAOYSA-N	1	1	409.533	1.231	20	0		HDADMO
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1	ZINC000024713581	1076346091	/nfs/dbraw/zinc/34/60/91/1076346091.db2.gz	IBLCTQHDTJZCPN-UHFFFAOYSA-N	1	1	409.533	1.231	20	0		HDADMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000025252532	1076350668	/nfs/dbraw/zinc/35/06/68/1076350668.db2.gz	HZUSAMKQWZGOGM-WMZOPIPTSA-N	1	1	417.531	1.753	20	0		HDADMO
COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c1	ZINC000027279786	1076359018	/nfs/dbraw/zinc/35/90/18/1076359018.db2.gz	GKSYAPSJXZHJNS-IBGZPJMESA-N	1	1	418.538	1.073	20	0		HDADMO
COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c1	ZINC000027279786	1076359023	/nfs/dbraw/zinc/35/90/23/1076359023.db2.gz	GKSYAPSJXZHJNS-IBGZPJMESA-N	1	1	418.538	1.073	20	0		HDADMO
NC(=O)CCN(C(=O)CN1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1	ZINC000027363757	1076359147	/nfs/dbraw/zinc/35/91/47/1076359147.db2.gz	HLZQGXRZHUWINL-UHFFFAOYSA-N	1	1	404.511	1.913	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1C1OCCO1)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000728172410	1076364626	/nfs/dbraw/zinc/36/46/26/1076364626.db2.gz	HCVZMDIGUBBOQI-IBGZPJMESA-N	1	1	407.555	1.855	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1C1OCCO1)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000728172410	1076364629	/nfs/dbraw/zinc/36/46/29/1076364629.db2.gz	HCVZMDIGUBBOQI-IBGZPJMESA-N	1	1	407.555	1.855	20	0		HDADMO
C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000728173897	1076364915	/nfs/dbraw/zinc/36/49/15/1076364915.db2.gz	XTTOGTPMTWSVBZ-GJZGRUSLSA-N	1	1	420.514	1.157	20	0		HDADMO
C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000728173897	1076364921	/nfs/dbraw/zinc/36/49/21/1076364921.db2.gz	XTTOGTPMTWSVBZ-GJZGRUSLSA-N	1	1	420.514	1.157	20	0		HDADMO
O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCCCCCC1	ZINC001084531305	1076367910	/nfs/dbraw/zinc/36/79/10/1076367910.db2.gz	DEFNVYDABVOKHI-KSIVUZQRSA-N	1	1	401.551	1.735	20	0		HDADMO
O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCCCCCC1	ZINC001084531305	1076367917	/nfs/dbraw/zinc/36/79/17/1076367917.db2.gz	DEFNVYDABVOKHI-KSIVUZQRSA-N	1	1	401.551	1.735	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C1	ZINC000729983067	1076407448	/nfs/dbraw/zinc/40/74/48/1076407448.db2.gz	KSZJZOFMOJBOKP-OAHLLOKOSA-N	1	1	409.508	1.080	20	0		HDADMO
CNC(=O)C1(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CCC1	ZINC000730048760	1076421583	/nfs/dbraw/zinc/42/15/83/1076421583.db2.gz	MIHMEDBFCGMYTL-UHFFFAOYSA-N	1	1	417.506	1.189	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1	ZINC000730083579	1076431311	/nfs/dbraw/zinc/43/13/11/1076431311.db2.gz	PYFGUNPJRQYJQN-DLBZAZTESA-N	1	1	415.943	1.262	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1F	ZINC000730088009	1076443789	/nfs/dbraw/zinc/44/37/89/1076443789.db2.gz	QHIYRXRYNCQSJN-UHFFFAOYSA-N	1	1	401.504	1.041	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000730097932	1076450709	/nfs/dbraw/zinc/45/07/09/1076450709.db2.gz	NIXXWYUKEAIEDG-UHFFFAOYSA-N	1	1	423.517	1.570	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730117731	1076463154	/nfs/dbraw/zinc/46/31/54/1076463154.db2.gz	KYMQSYLCLTXJAU-MRXNPFEDSA-N	1	1	411.547	1.097	20	0		HDADMO
CC(C)(C)OC(=O)NC1(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCCC1	ZINC000730218897	1076480020	/nfs/dbraw/zinc/48/00/20/1076480020.db2.gz	RXZGGSZSMZGVNI-INIZCTEOSA-N	1	1	408.543	1.765	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000730227453	1076485256	/nfs/dbraw/zinc/48/52/56/1076485256.db2.gz	FZQSYRBTMPNSSU-MRXNPFEDSA-N	1	1	402.568	1.684	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000730263883	1076504860	/nfs/dbraw/zinc/50/48/60/1076504860.db2.gz	JVXBEODPXISXQJ-OAHLLOKOSA-N	1	1	406.483	1.163	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000730263883	1076504869	/nfs/dbraw/zinc/50/48/69/1076504869.db2.gz	JVXBEODPXISXQJ-OAHLLOKOSA-N	1	1	406.483	1.163	20	0		HDADMO
C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CC(=O)N(c3cnn(C)c3)C2=O)CC1	ZINC000730270610	1076515932	/nfs/dbraw/zinc/51/59/32/1076515932.db2.gz	FAEMKYSNGQVXOF-CJNGLKHVSA-N	1	1	405.499	1.677	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000730275909	1076518029	/nfs/dbraw/zinc/51/80/29/1076518029.db2.gz	BJENTGCKUAVJRW-UHFFFAOYSA-N	1	1	422.533	1.807	20	0		HDADMO
O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1)N1CCCC1	ZINC000730275381	1076518397	/nfs/dbraw/zinc/51/83/97/1076518397.db2.gz	CFISSBQNFJWKDQ-KRWDZBQOSA-N	1	1	416.497	1.335	20	0		HDADMO
O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1)N1CCCC1	ZINC000730275381	1076518406	/nfs/dbraw/zinc/51/84/06/1076518406.db2.gz	CFISSBQNFJWKDQ-KRWDZBQOSA-N	1	1	416.497	1.335	20	0		HDADMO
CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@H](C)O	ZINC000730419150	1076574560	/nfs/dbraw/zinc/57/45/60/1076574560.db2.gz	GFOOKIHSXLYURN-MXHVWWQHSA-N	1	1	409.552	1.223	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+](C[C@@H](C)O)C(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000730420292	1076575054	/nfs/dbraw/zinc/57/50/54/1076575054.db2.gz	WWPUAMNDNNWQHH-KUHUBIRLSA-N	1	1	405.495	1.958	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+](C[C@@H](C)O)C(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000730420292	1076575060	/nfs/dbraw/zinc/57/50/60/1076575060.db2.gz	WWPUAMNDNNWQHH-KUHUBIRLSA-N	1	1	405.495	1.958	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](C[C@@H](C)O)C(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000730420292	1076575063	/nfs/dbraw/zinc/57/50/63/1076575063.db2.gz	WWPUAMNDNNWQHH-KUHUBIRLSA-N	1	1	405.495	1.958	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1	ZINC000730538871	1076585585	/nfs/dbraw/zinc/58/55/85/1076585585.db2.gz	ASYBAIWGOLUWFF-XUVXKRRUSA-N	1	1	421.563	1.208	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1	ZINC000730560168	1076594692	/nfs/dbraw/zinc/59/46/92/1076594692.db2.gz	SYUOBHVBGPYFBC-OAHLLOKOSA-N	1	1	420.608	1.924	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000730559572	1076595020	/nfs/dbraw/zinc/59/50/20/1076595020.db2.gz	HHYDGUMGDNOJDG-JDZHNHJDSA-N	1	1	408.612	1.873	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C(C)C)cc1	ZINC000730568051	1076604129	/nfs/dbraw/zinc/60/41/29/1076604129.db2.gz	ARQDPFYZVGPRGY-VQIMIIECSA-N	1	1	407.511	1.342	20	0		HDADMO
CS(=O)(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1F	ZINC000730815800	1076669559	/nfs/dbraw/zinc/66/95/59/1076669559.db2.gz	VQVGIEZDUSEHNX-CQSZACIVSA-N	1	1	404.529	1.868	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1	ZINC000730841935	1076671074	/nfs/dbraw/zinc/67/10/74/1076671074.db2.gz	SBFQZIXIRPLYRP-CVDCTZTESA-N	1	1	424.501	1.444	20	0		HDADMO
C[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nnc2n1CCC2	ZINC000730935399	1076695971	/nfs/dbraw/zinc/69/59/71/1076695971.db2.gz	SUPHHXKJOWVJDF-OAHLLOKOSA-N	1	1	421.546	1.527	20	0		HDADMO
CC1CCC(NC(=O)CN2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)CC1	ZINC000730939990	1076698980	/nfs/dbraw/zinc/69/89/80/1076698980.db2.gz	VEXWWPLAGBIWKY-UHFFFAOYSA-N	1	1	422.595	1.189	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C	ZINC000731007185	1076709342	/nfs/dbraw/zinc/70/93/42/1076709342.db2.gz	IQHOVVUHNKIEFO-AMRJIULGSA-N	1	1	400.483	1.215	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccnc(-n4ccnc4)c3)c2)C1	ZINC000731008559	1076709717	/nfs/dbraw/zinc/70/97/17/1076709717.db2.gz	INLZOAJZNLIDSE-HXUWFJFHSA-N	1	1	418.501	1.895	20	0		HDADMO
COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2)CC1	ZINC000731108313	1076728895	/nfs/dbraw/zinc/72/88/95/1076728895.db2.gz	KCIWEDMOKWRQBK-QGZVFWFLSA-N	1	1	403.527	1.445	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(Cn3ncn(CCOC)c3=S)CC2)CC1	ZINC000731209831	1076755795	/nfs/dbraw/zinc/75/57/95/1076755795.db2.gz	YNBVHSHOZJWGQB-UHFFFAOYSA-N	1	1	410.588	1.284	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4nc(C)[nH]c43)CC2)C1=O	ZINC001164636572	719271632	/nfs/dbraw/zinc/27/16/32/719271632.db2.gz	VQUYVZURAZXGTP-UHFFFAOYSA-N	1	1	407.906	1.074	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4nc(C)[nH]c43)CC2)C1=O	ZINC001164636572	719271633	/nfs/dbraw/zinc/27/16/33/719271633.db2.gz	VQUYVZURAZXGTP-UHFFFAOYSA-N	1	1	407.906	1.074	20	0		HDADMO
COCCN1CCN(C)C2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)C1=O	ZINC001164644338	719281470	/nfs/dbraw/zinc/28/14/70/719281470.db2.gz	JGWDQANSWWUHJA-UHFFFAOYSA-N	1	1	401.555	1.435	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)n2)CC1	ZINC001164656948	719294905	/nfs/dbraw/zinc/29/49/05/719294905.db2.gz	ZRZHRKJSQCNUTB-ZVDOUQERSA-N	1	1	410.522	1.576	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2	ZINC001164649775	719311439	/nfs/dbraw/zinc/31/14/39/719311439.db2.gz	SOFCCCGYZVRCLP-KRWDZBQOSA-N	1	1	424.553	1.824	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)c2c1	ZINC001164687188	719720285	/nfs/dbraw/zinc/72/02/85/719720285.db2.gz	UZIHCBUCZGLCMG-UHFFFAOYSA-N	1	1	411.506	1.987	20	0		HDADMO
CCc1cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc(N2CCOCC2)n1	ZINC001164685573	719728442	/nfs/dbraw/zinc/72/84/42/719728442.db2.gz	MJVAKGMDDSMKKH-UHFFFAOYSA-N	1	1	402.543	1.056	20	0		HDADMO
CCc1cc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc(N2CCOCC2)n1	ZINC001164685573	719728449	/nfs/dbraw/zinc/72/84/49/719728449.db2.gz	MJVAKGMDDSMKKH-UHFFFAOYSA-N	1	1	402.543	1.056	20	0		HDADMO
CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2	ZINC001164689614	719741673	/nfs/dbraw/zinc/74/16/73/719741673.db2.gz	JFTBRQLBVFAYDS-UHFFFAOYSA-N	1	1	413.860	1.684	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2	ZINC001164689614	719741679	/nfs/dbraw/zinc/74/16/79/719741679.db2.gz	JFTBRQLBVFAYDS-UHFFFAOYSA-N	1	1	413.860	1.684	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ccn2C	ZINC001164698085	719849054	/nfs/dbraw/zinc/84/90/54/719849054.db2.gz	FDKFUJCKVWTNLB-DJJJIMSYSA-N	1	1	407.902	1.854	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1	ZINC001164705727	719871927	/nfs/dbraw/zinc/87/19/27/719871927.db2.gz	OCWRWKKGYPETHG-SIKLNZKXSA-N	1	1	402.539	1.909	20	0		HDADMO
CC(C)n1ccc2c1nc[nH+]c2N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1	ZINC001164708959	719920176	/nfs/dbraw/zinc/92/01/76/719920176.db2.gz	VQKHHKZNAJQETH-UHFFFAOYSA-N	1	1	422.537	1.696	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2	ZINC001164815380	720067745	/nfs/dbraw/zinc/06/77/45/720067745.db2.gz	YWKBDKJPCXRBPU-RDTXWAMCSA-N	1	1	414.959	1.718	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)N3CCOCC3)cn1)C2	ZINC001164813181	720075569	/nfs/dbraw/zinc/07/55/69/720075569.db2.gz	SXIDBRNHDFCFBZ-NFBKMPQASA-N	1	1	414.550	1.739	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cncc(SCC(=O)OC)n1)C2	ZINC001164817864	720181388	/nfs/dbraw/zinc/18/13/88/720181388.db2.gz	QPWWGLUMTDCOHO-OXJNMPFZSA-N	1	1	406.552	1.926	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164810300	720210484	/nfs/dbraw/zinc/21/04/84/720210484.db2.gz	BPSXVRHLKXXITE-UHFFFAOYSA-N	1	1	403.458	1.815	20	0		HDADMO
CCOC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1	ZINC001164720239	720210797	/nfs/dbraw/zinc/21/07/97/720210797.db2.gz	XJOGGXCUZLKLIV-FQEVSTJZSA-N	1	1	424.929	1.577	20	0		HDADMO
CCOC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1	ZINC001164720239	720210805	/nfs/dbraw/zinc/21/08/05/720210805.db2.gz	XJOGGXCUZLKLIV-FQEVSTJZSA-N	1	1	424.929	1.577	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)OC)c(Cl)cn3)C2)C1	ZINC001164720315	720218355	/nfs/dbraw/zinc/21/83/55/720218355.db2.gz	YFUXUNCNDHBICY-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)OC)c(Cl)cn3)C2)C1	ZINC001164720315	720218357	/nfs/dbraw/zinc/21/83/57/720218357.db2.gz	YFUXUNCNDHBICY-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccncc43)C2)C1	ZINC001164716728	720220305	/nfs/dbraw/zinc/22/03/05/720220305.db2.gz	DLDSQPSMITUSHG-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccncc43)C2)C1	ZINC001164716728	720220306	/nfs/dbraw/zinc/22/03/06/720220306.db2.gz	DLDSQPSMITUSHG-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1	ZINC001164718981	720236636	/nfs/dbraw/zinc/23/66/36/720236636.db2.gz	JTRMPGFAGNNEKR-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1	ZINC001164718981	720236662	/nfs/dbraw/zinc/23/66/62/720236662.db2.gz	JTRMPGFAGNNEKR-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1	ZINC001164813278	720240205	/nfs/dbraw/zinc/24/02/05/720240205.db2.gz	MIKDWSROVZGWBI-UHFFFAOYSA-N	1	1	414.510	1.522	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(SC)nc4c3CCCC4)C2)C1	ZINC001164717541	720243459	/nfs/dbraw/zinc/24/34/59/720243459.db2.gz	AQVJGXGGIFEPHO-OAQYLSRUSA-N	1	1	419.595	1.742	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(SC)nc4c3CCCC4)C2)C1	ZINC001164717541	720243463	/nfs/dbraw/zinc/24/34/63/720243463.db2.gz	AQVJGXGGIFEPHO-OAQYLSRUSA-N	1	1	419.595	1.742	20	0		HDADMO
COC(=O)c1ncnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1OC	ZINC001164815151	720248292	/nfs/dbraw/zinc/24/82/92/720248292.db2.gz	BHWDHNRHINBVGD-UHFFFAOYSA-N	1	1	416.482	1.079	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)cnc43)C2)C1	ZINC001164720405	720261071	/nfs/dbraw/zinc/26/10/71/720261071.db2.gz	VCDBKTVPVPEHIP-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)cnc43)C2)C1	ZINC001164720405	720261072	/nfs/dbraw/zinc/26/10/72/720261072.db2.gz	VCDBKTVPVPEHIP-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3/C=C/C(=O)OC)C2)C1	ZINC001164721606	720271519	/nfs/dbraw/zinc/27/15/19/720271519.db2.gz	LXKZVPGKZQKUTH-BDNZGDGKSA-N	1	1	416.522	1.241	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3/C=C/C(=O)OC)C2)C1	ZINC001164721606	720271525	/nfs/dbraw/zinc/27/15/25/720271525.db2.gz	LXKZVPGKZQKUTH-BDNZGDGKSA-N	1	1	416.522	1.241	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3[nH]cnc32)CC1	ZINC001164818883	720290958	/nfs/dbraw/zinc/29/09/58/720290958.db2.gz	BHGYNFFUZYBPHW-ZIAGYGMSSA-N	1	1	403.918	1.918	20	0		HDADMO
CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ccnc(N2CC[NH+](C)CC2)n1	ZINC001164724956	720316802	/nfs/dbraw/zinc/31/68/02/720316802.db2.gz	TYXHHPUXSJUDAR-GOSISDBHSA-N	1	1	412.542	1.246	20	0		HDADMO
Cn1cnc2c1nc(N1CC[C@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)nc2N1CCOCC1	ZINC001164727855	720360454	/nfs/dbraw/zinc/36/04/54/720360454.db2.gz	UQXUYBMKNFKTFE-ROUUACIJSA-N	1	1	420.521	1.448	20	0		HDADMO
c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1	ZINC001164735404	720425748	/nfs/dbraw/zinc/42/57/48/720425748.db2.gz	XAAUZBKOTRNRGA-WOJBJXKFSA-N	1	1	407.522	1.165	20	0		HDADMO
CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CCN(C)CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164840682	720512029	/nfs/dbraw/zinc/51/20/29/720512029.db2.gz	XFLPOIGKUJIUBX-QHAWAJNXSA-N	1	1	424.597	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CCN(C)CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164840682	720512037	/nfs/dbraw/zinc/51/20/37/720512037.db2.gz	XFLPOIGKUJIUBX-QHAWAJNXSA-N	1	1	424.597	1.803	20	0		HDADMO
CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CCN(C)CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164840680	720512270	/nfs/dbraw/zinc/51/22/70/720512270.db2.gz	XFLPOIGKUJIUBX-PCCBWWKXSA-N	1	1	424.597	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CCN(C)CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164840680	720512278	/nfs/dbraw/zinc/51/22/78/720512278.db2.gz	XFLPOIGKUJIUBX-PCCBWWKXSA-N	1	1	424.597	1.803	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164747591	720609228	/nfs/dbraw/zinc/60/92/28/720609228.db2.gz	ZWKRVGXOHQWHQW-UONOGXRCSA-N	1	1	416.507	1.507	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164747590	720609863	/nfs/dbraw/zinc/60/98/63/720609863.db2.gz	ZWKRVGXOHQWHQW-KGLIPLIRSA-N	1	1	416.507	1.507	20	0		HDADMO
COc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164736833	720720842	/nfs/dbraw/zinc/72/08/42/720720842.db2.gz	BLKHJPJVAOZVSS-DLBZAZTESA-N	1	1	405.462	1.679	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)n2)CC1	ZINC001164846118	720779030	/nfs/dbraw/zinc/77/90/30/720779030.db2.gz	HNHCVQLQIUHKGA-HBMCJLEFSA-N	1	1	424.549	1.967	20	0		HDADMO
Clc1nc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164748285	720793466	/nfs/dbraw/zinc/79/34/66/720793466.db2.gz	QILRXBCKISJRQI-MNOVXSKESA-N	1	1	419.276	1.859	20	0		HDADMO
NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164744152	720814450	/nfs/dbraw/zinc/81/44/50/720814450.db2.gz	HLUZGXPSOPLWJE-QGPMSJSTSA-N	1	1	415.929	1.805	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1N	ZINC001164740172	720821032	/nfs/dbraw/zinc/82/10/32/720821032.db2.gz	JJQWPHCOIMLMGE-JTDSTZFVSA-N	1	1	411.510	1.421	20	0		HDADMO
CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1	ZINC001164745142	720821385	/nfs/dbraw/zinc/82/13/85/720821385.db2.gz	WQBQSOGKELWYPD-JENIJYKNSA-N	1	1	411.510	1.624	20	0		HDADMO
CN(C)C(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164741367	720823775	/nfs/dbraw/zinc/82/37/75/720823775.db2.gz	NMZNDMSGMKCKKB-VAMGGRTRSA-N	1	1	409.538	1.754	20	0		HDADMO
CCOC(=O)c1nccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745567	720828457	/nfs/dbraw/zinc/82/84/57/720828457.db2.gz	WUVYLMYZPHZZIN-KZNAEPCWSA-N	1	1	411.510	1.624	20	0		HDADMO
NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745605	720830139	/nfs/dbraw/zinc/83/01/39/720830139.db2.gz	XDAGZBKTIINLFY-ZMSDIMECSA-N	1	1	415.929	1.805	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1	ZINC001164850463	720833389	/nfs/dbraw/zinc/83/33/89/720833389.db2.gz	UERMYVBMUQLIST-GDBMZVCRSA-N	1	1	410.540	1.549	20	0		HDADMO
CN(C)c1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2nc[nH]c21	ZINC001164748261	720835014	/nfs/dbraw/zinc/83/50/14/720835014.db2.gz	SUVOCBFXGCGSGT-GVDBMIGSSA-N	1	1	422.541	1.390	20	0		HDADMO
CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164741922	720837006	/nfs/dbraw/zinc/83/70/06/720837006.db2.gz	FWXVDMKXFZJIHZ-CMKODMSKSA-N	1	1	409.538	1.802	20	0		HDADMO
c1ncn(C[C@H]2C[C@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1	ZINC001164746641	720840187	/nfs/dbraw/zinc/84/01/87/720840187.db2.gz	PUHXZKMGPQZBQG-PWRODBHTSA-N	1	1	423.565	1.889	20	0		HDADMO
c1ncn(C[C@H]2C[C@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164746641	720840190	/nfs/dbraw/zinc/84/01/90/720840190.db2.gz	PUHXZKMGPQZBQG-PWRODBHTSA-N	1	1	423.565	1.889	20	0		HDADMO
CCn1cnc2c1ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164746611	720847795	/nfs/dbraw/zinc/84/77/95/720847795.db2.gz	PNFDKWOHOCMGFH-KZNAEPCWSA-N	1	1	407.526	1.817	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@@H]2C1	ZINC001164851604	720853908	/nfs/dbraw/zinc/85/39/08/720853908.db2.gz	BFHZSGKIPWMSEV-PKOBYXMFSA-N	1	1	414.506	1.980	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164743844	720855315	/nfs/dbraw/zinc/85/53/15/720855315.db2.gz	AALQGBODSAVECD-IPMKNSEASA-N	1	1	420.525	1.337	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3N3CCOCC3)CC[C@@H]2C1	ZINC001164862251	720856527	/nfs/dbraw/zinc/85/65/27/720856527.db2.gz	ZTZSPVGJPFCYDX-WBVHZDCISA-N	1	1	411.934	1.140	20	0		HDADMO
COCc1nc(OC)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164746855	720859377	/nfs/dbraw/zinc/85/93/77/720859377.db2.gz	GUMYCPMKSJAJQA-KZNAEPCWSA-N	1	1	413.526	1.603	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164868642	721048898	/nfs/dbraw/zinc/04/88/98/721048898.db2.gz	OXQJAROTHMLNPG-HUUCEWRRSA-N	1	1	403.870	1.791	20	0		HDADMO
O=C(c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCOCC1	ZINC001164869942	721050462	/nfs/dbraw/zinc/05/04/62/721050462.db2.gz	URUCBFXNLGWQJU-LEWJYISDSA-N	1	1	423.517	1.429	20	0		HDADMO
COC(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1C(=O)OC	ZINC001164768305	721084489	/nfs/dbraw/zinc/08/44/89/721084489.db2.gz	MTQVQUZEZGKMKA-CVEARBPZSA-N	1	1	413.478	1.347	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865164	721097997	/nfs/dbraw/zinc/09/79/97/721097997.db2.gz	JEERVSBSWHDJBO-RBUKOAKNSA-N	1	1	408.506	1.952	20	0		HDADMO
COC(=O)c1nc2cnccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164773933	721154364	/nfs/dbraw/zinc/15/43/64/721154364.db2.gz	ZIDWQZQZYPCESR-JKSUJKDBSA-N	1	1	407.478	1.503	20	0		HDADMO
CNC(=O)[C@@]12CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]1N(c1ncccn1)CCC2	ZINC001164871363	721207704	/nfs/dbraw/zinc/20/77/04/721207704.db2.gz	YRGFRVJSWRKVNN-XXBNENTESA-N	1	1	421.549	1.687	20	0		HDADMO
COC(=O)CSc1cncc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1	ZINC001164770906	721215611	/nfs/dbraw/zinc/21/56/11/721215611.db2.gz	PFICXRYMLMTXPD-HOTGVXAUSA-N	1	1	402.524	1.434	20	0		HDADMO
COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(Cl)c1	ZINC001164875064	721260902	/nfs/dbraw/zinc/26/09/02/721260902.db2.gz	LSZAVLHNAIIKBM-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
COC(=O)c1ccc(C)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164868550	721263323	/nfs/dbraw/zinc/26/33/23/721263323.db2.gz	BQLUHUAETDCASZ-UHFFFAOYSA-N	1	1	404.511	1.184	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4ccoc43)CC2)C1	ZINC001164869393	721265649	/nfs/dbraw/zinc/26/56/49/721265649.db2.gz	NFFIZYURBQANMK-UHFFFAOYSA-N	1	1	407.902	1.883	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3ccn4C)CC2)C1	ZINC001164869355	721269467	/nfs/dbraw/zinc/26/94/67/721269467.db2.gz	LJHMSNLSINJZBJ-UHFFFAOYSA-N	1	1	420.945	1.629	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4ncc(F)cc4n3)CC2)C1	ZINC001164872146	721282570	/nfs/dbraw/zinc/28/25/70/721282570.db2.gz	AZVWFCQMERHCRP-UHFFFAOYSA-N	1	1	401.486	1.776	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(-c4ccccn4)nn3)CC2)C1	ZINC001164878473	721288871	/nfs/dbraw/zinc/28/88/71/721288871.db2.gz	QPNJQSRBQIJZCO-UHFFFAOYSA-N	1	1	410.522	1.546	20	0		HDADMO
Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C(N)=O	ZINC001164885056	721385363	/nfs/dbraw/zinc/38/53/63/721385363.db2.gz	CFRBGOPYDNRJAS-HRAATJIYSA-N	1	1	421.973	1.908	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4C(N)=O)C3)O2)CC1	ZINC001164889191	721386932	/nfs/dbraw/zinc/38/69/32/721386932.db2.gz	KTSCFRHTCQDGNG-FOIQADDNSA-N	1	1	407.946	1.599	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1OC	ZINC001164890960	721388493	/nfs/dbraw/zinc/38/84/93/721388493.db2.gz	PPWBPSJBPIWIPI-HTAPYJJXSA-N	1	1	418.538	1.642	20	0		HDADMO
CC(C)OC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164887316	721394546	/nfs/dbraw/zinc/39/45/46/721394546.db2.gz	HQCDQRXOEADXHY-AVRDEDQJSA-N	1	1	417.554	1.807	20	0		HDADMO
COC(=O)c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1C(=O)OC	ZINC001164785109	721395028	/nfs/dbraw/zinc/39/50/28/721395028.db2.gz	KZXSETASWYDHPJ-BETUJISGSA-N	1	1	402.476	1.680	20	0		HDADMO
COC(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1C(=O)OC	ZINC001164785109	721395031	/nfs/dbraw/zinc/39/50/31/721395031.db2.gz	KZXSETASWYDHPJ-BETUJISGSA-N	1	1	402.476	1.680	20	0		HDADMO
COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1N	ZINC001164889848	721399107	/nfs/dbraw/zinc/39/91/07/721399107.db2.gz	MPDBRSRTZMGERB-KKSFZXQISA-N	1	1	403.527	1.216	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1C	ZINC001164887667	721405087	/nfs/dbraw/zinc/40/50/87/721405087.db2.gz	LZMNFCPDZYAXPN-GCJKJVERSA-N	1	1	402.539	1.942	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(n4)OCC(=O)N5)C3)O2)CC1	ZINC001164887725	721410281	/nfs/dbraw/zinc/41/02/81/721410281.db2.gz	MSGBEZXBVRKOJY-IIBYNOLFSA-N	1	1	401.511	1.178	20	0		HDADMO
CCOC(=O)c1nccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164889471	721411000	/nfs/dbraw/zinc/41/10/00/721411000.db2.gz	QWMIXHDLPCRUDW-UWJYYQICSA-N	1	1	403.527	1.419	20	0		HDADMO
Clc1ncc(N2CCOCC2)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1	ZINC001164789015	721411124	/nfs/dbraw/zinc/41/11/24/721411124.db2.gz	UIUDIPAMWUFEEN-OKILXGFUSA-N	1	1	406.943	1.991	20	0		HDADMO
Clc1ncc(N2CCOCC2)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1	ZINC001164789015	721411128	/nfs/dbraw/zinc/41/11/28/721411128.db2.gz	UIUDIPAMWUFEEN-OKILXGFUSA-N	1	1	406.943	1.991	20	0		HDADMO
CCOC(=O)c1c(C)ncnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164883870	721413200	/nfs/dbraw/zinc/41/32/00/721413200.db2.gz	CDGUVWOBVUMXSP-XMSQKQJNSA-N	1	1	417.554	1.727	20	0		HDADMO
CCNC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164891959	721422122	/nfs/dbraw/zinc/42/21/22/721422122.db2.gz	WZEGQKLPENUABL-XMSQKQJNSA-N	1	1	401.555	1.597	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1	ZINC001164789016	721425904	/nfs/dbraw/zinc/42/59/04/721425904.db2.gz	VLBCXQQXRFYSSX-GJZGRUSLSA-N	1	1	407.565	1.793	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccnc1C(=O)OC)CC2	ZINC001164787852	721453400	/nfs/dbraw/zinc/45/34/00/721453400.db2.gz	QYAPGKLVFHAZTC-GOSISDBHSA-N	1	1	418.538	1.997	20	0		HDADMO
CNC(=O)c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nn1	ZINC001164791790	721469139	/nfs/dbraw/zinc/46/91/39/721469139.db2.gz	ZFBAYMZNEBRIFE-SFHVURJKSA-N	1	1	417.554	1.570	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2N1C	ZINC001164803987	721556992	/nfs/dbraw/zinc/55/69/92/721556992.db2.gz	KKLWYTZTWVNDFE-OAOYMFHYSA-N	1	1	423.521	1.517	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2N1C	ZINC001164803987	721556998	/nfs/dbraw/zinc/55/69/98/721556998.db2.gz	KKLWYTZTWVNDFE-OAOYMFHYSA-N	1	1	423.521	1.517	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@H]2CCCO[C@H]12	ZINC001164801212	721573882	/nfs/dbraw/zinc/57/38/82/721573882.db2.gz	GLKIAVYSKDCRDE-JZXOWHBKSA-N	1	1	408.506	1.970	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@H]2CCCO[C@H]12	ZINC001164801212	721573884	/nfs/dbraw/zinc/57/38/84/721573884.db2.gz	GLKIAVYSKDCRDE-JZXOWHBKSA-N	1	1	408.506	1.970	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164810253	721587258	/nfs/dbraw/zinc/58/72/58/721587258.db2.gz	VNTHTDJQEWYNQA-BBTUJRGHSA-N	1	1	406.494	1.629	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@@H]43)c2)CC1	ZINC001164802864	721596656	/nfs/dbraw/zinc/59/66/56/721596656.db2.gz	VZZFHYNKOVBTGL-SLFFLAALSA-N	1	1	416.522	1.150	20	0		HDADMO
Cn1nnc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164909112	721725143	/nfs/dbraw/zinc/72/51/43/721725143.db2.gz	BNNXSLAPSYWQRZ-GOSISDBHSA-N	1	1	400.437	1.891	20	0		HDADMO
CN(C)C(=O)CN1CCC2(CCCN2c2ccc(OCC3CC[NH2+]CC3)cn2)CC1	ZINC001165012849	721749626	/nfs/dbraw/zinc/74/96/26/721749626.db2.gz	OXPUZCLUDNLMBF-UHFFFAOYSA-N	1	1	415.582	1.983	20	0		HDADMO
Fc1cc2c(cn1)ncnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2	ZINC001164911048	721775765	/nfs/dbraw/zinc/77/57/65/721775765.db2.gz	DJAMCLASJVGREW-NRFANRHFSA-N	1	1	410.453	1.667	20	0		HDADMO
Fc1cc2c(cn1)ncnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2	ZINC001164911048	721775770	/nfs/dbraw/zinc/77/57/70/721775770.db2.gz	DJAMCLASJVGREW-NRFANRHFSA-N	1	1	410.453	1.667	20	0		HDADMO
Fc1cc2c(cn1)ncnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2	ZINC001164911053	721776396	/nfs/dbraw/zinc/77/63/96/721776396.db2.gz	DJAMCLASJVGREW-OAQYLSRUSA-N	1	1	410.453	1.667	20	0		HDADMO
Fc1cc2c(cn1)ncnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2	ZINC001164911053	721776397	/nfs/dbraw/zinc/77/63/97/721776397.db2.gz	DJAMCLASJVGREW-OAQYLSRUSA-N	1	1	410.453	1.667	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC[C@@]4(CCN(c5cncnc5)C4=O)C3)n2)CC1	ZINC001165015877	721785415	/nfs/dbraw/zinc/78/54/15/721785415.db2.gz	ASFYRWVJASIVHG-OAQYLSRUSA-N	1	1	408.510	1.042	20	0		HDADMO
CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2	ZINC001165025603	721787809	/nfs/dbraw/zinc/78/78/09/721787809.db2.gz	VVIUJVHNMNNODN-QFIPXVFZSA-N	1	1	402.539	1.766	20	0		HDADMO
CCn1cnc2c1ncnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2	ZINC001164913364	721794908	/nfs/dbraw/zinc/79/49/08/721794908.db2.gz	CLVRZKNQXPVJPK-NRFANRHFSA-N	1	1	409.494	1.349	20	0		HDADMO
CCn1cnc2c1ncnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2	ZINC001164913364	721794911	/nfs/dbraw/zinc/79/49/11/721794911.db2.gz	CLVRZKNQXPVJPK-NRFANRHFSA-N	1	1	409.494	1.349	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)n2)CC1	ZINC001164922627	721840650	/nfs/dbraw/zinc/84/06/50/721840650.db2.gz	HIBHTANXCBQISD-XMSQKQJNSA-N	1	1	410.522	1.293	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1C	ZINC001164926602	721876584	/nfs/dbraw/zinc/87/65/84/721876584.db2.gz	SAPJJYZOETWQGQ-KGLIPLIRSA-N	1	1	406.918	1.623	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1C	ZINC001164926602	721876585	/nfs/dbraw/zinc/87/65/85/721876585.db2.gz	SAPJJYZOETWQGQ-KGLIPLIRSA-N	1	1	406.918	1.623	20	0		HDADMO
C[C@@H]1C(=O)NCCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1	ZINC001165039188	721883029	/nfs/dbraw/zinc/88/30/29/721883029.db2.gz	YGDWKJSLVBKQSZ-CABCVRRESA-N	1	1	403.527	1.205	20	0		HDADMO
CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]12	ZINC001164949280	721967673	/nfs/dbraw/zinc/96/76/73/721967673.db2.gz	WQWCUEPQHOFUMO-QPPBQGQZSA-N	1	1	420.561	1.997	20	0		HDADMO
O=C1COc2cc[nH+]c(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)c2N1	ZINC001164947294	721974234	/nfs/dbraw/zinc/97/42/34/721974234.db2.gz	OQOFKSZMNNTRDC-UHFFFAOYSA-N	1	1	407.474	1.384	20	0		HDADMO
COc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(S(C)(=O)=O)n1	ZINC001164952015	722017624	/nfs/dbraw/zinc/01/76/24/722017624.db2.gz	FZPFJTRDCAJYFI-UHFFFAOYSA-N	1	1	417.535	1.776	20	0		HDADMO
COc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(S(C)(=O)=O)n1	ZINC001164952015	722017629	/nfs/dbraw/zinc/01/76/29/722017629.db2.gz	FZPFJTRDCAJYFI-UHFFFAOYSA-N	1	1	417.535	1.776	20	0		HDADMO
Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]32)cn1	ZINC001164958372	722032130	/nfs/dbraw/zinc/03/21/30/722032130.db2.gz	OQUXEUZJXUNYJE-NRSPTQNISA-N	1	1	424.549	1.681	20	0		HDADMO
c1cc2nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc(N3CCOCC3)c2s1	ZINC001164965343	722069071	/nfs/dbraw/zinc/06/90/71/722069071.db2.gz	JKINBJOHERKDAC-IYBDPMFKSA-N	1	1	401.536	1.827	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1	ZINC001164966578	722076006	/nfs/dbraw/zinc/07/60/06/722076006.db2.gz	CDICALQHLQWGKA-CALCHBBNSA-N	1	1	408.568	1.848	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1	ZINC001164967534	722076074	/nfs/dbraw/zinc/07/60/74/722076074.db2.gz	UFEUMDDTWSVUJI-RYQLBKOJSA-N	1	1	408.568	1.848	20	0		HDADMO
O=S(=O)(c1cccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2)N1CCCCC1	ZINC001164967904	722076409	/nfs/dbraw/zinc/07/64/09/722076409.db2.gz	MSWHRMOTHJANSJ-HDICACEKSA-N	1	1	406.552	1.556	20	0		HDADMO
Clc1nnc(Cl)c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1N1CCOCC1	ZINC001164968081	722078215	/nfs/dbraw/zinc/07/82/15/722078215.db2.gz	PLZLTGNXDQFVDN-OKILXGFUSA-N	1	1	414.337	1.919	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC001164986095	722102081	/nfs/dbraw/zinc/10/20/81/722102081.db2.gz	XYUPVCGRKIBSCU-NVXWUHKLSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl	ZINC001164983417	722103154	/nfs/dbraw/zinc/10/31/54/722103154.db2.gz	QAKOZIZJNWPUOO-YJBOKZPZSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl	ZINC001164980828	722103311	/nfs/dbraw/zinc/10/33/11/722103311.db2.gz	KOJJHSXZYBTEBN-DOTOQJQBSA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164978204	722109185	/nfs/dbraw/zinc/10/91/85/722109185.db2.gz	NUNHYSQRMVVIOL-YLJYHZDGSA-N	1	1	412.490	1.999	20	0		HDADMO
CCOC(=O)Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164979157	722124641	/nfs/dbraw/zinc/12/46/41/722124641.db2.gz	PHDIBMFPQHVEEI-UXHICEINSA-N	1	1	411.506	1.705	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1OC	ZINC001164973150	722158353	/nfs/dbraw/zinc/15/83/53/722158353.db2.gz	LMCKNPMZAFWZPJ-DLBZAZTESA-N	1	1	413.478	1.394	20	0		HDADMO
CCOC(=O)c1cnc(C)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996519	722231932	/nfs/dbraw/zinc/23/19/32/722231932.db2.gz	IXGFVOMLZMYQDV-UHFFFAOYSA-N	1	1	411.510	1.109	20	0		HDADMO
CCOC(=O)c1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c(C)c1	ZINC001164997673	722232016	/nfs/dbraw/zinc/23/20/16/722232016.db2.gz	RXGMSGCUMGTPAI-UHFFFAOYSA-N	1	1	410.522	1.714	20	0		HDADMO
CC(C)OC(=O)c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001165001083	722239493	/nfs/dbraw/zinc/23/94/93/722239493.db2.gz	BQVLJAXJBCNGDA-UHFFFAOYSA-N	1	1	410.522	1.794	20	0		HDADMO
NC(=O)c1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)CC2)cc1	ZINC000673640695	1073474626	/nfs/dbraw/zinc/47/46/26/1073474626.db2.gz	ZIKOCSZYLMCQKO-NRFANRHFSA-N	1	1	407.518	1.489	20	0		HDADMO
NC(=O)c1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)CC2)cc1	ZINC000673640695	1073474639	/nfs/dbraw/zinc/47/46/39/1073474639.db2.gz	ZIKOCSZYLMCQKO-NRFANRHFSA-N	1	1	407.518	1.489	20	0		HDADMO
CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000509105970	1073537916	/nfs/dbraw/zinc/53/79/16/1073537916.db2.gz	HICCSVGKMCCKDH-QGZVFWFLSA-N	1	1	421.485	1.885	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN1Cc1ccccn1	ZINC000673653110	1073576322	/nfs/dbraw/zinc/57/63/22/1073576322.db2.gz	XRMRHAAREASOTL-JOCHJYFZSA-N	1	1	408.550	1.770	20	0		HDADMO
O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000429106118	1073589548	/nfs/dbraw/zinc/58/95/48/1073589548.db2.gz	XRBGTIZWPITDSA-AEFFLSMTSA-N	1	1	412.542	1.657	20	0		HDADMO
CN1C(=O)C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@H]1c1ccc(Cl)cc1	ZINC000509119427	1073596995	/nfs/dbraw/zinc/59/69/95/1073596995.db2.gz	CHMQWGPIKNHNKE-XYJFISCASA-N	1	1	421.929	1.251	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1	ZINC000673657316	1073597210	/nfs/dbraw/zinc/59/72/10/1073597210.db2.gz	XJGPLHFHJJBBPB-DNVCBOLYSA-N	1	1	402.520	1.832	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1	ZINC000673657316	1073597212	/nfs/dbraw/zinc/59/72/12/1073597212.db2.gz	XJGPLHFHJJBBPB-DNVCBOLYSA-N	1	1	402.520	1.832	20	0		HDADMO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)CC2)c1	ZINC000673661564	1073615644	/nfs/dbraw/zinc/61/56/44/1073615644.db2.gz	INFFSGPLSRTXRW-FCHUYYIVSA-N	1	1	400.567	1.565	20	0		HDADMO
CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC2)CC1	ZINC000673665398	1073618027	/nfs/dbraw/zinc/61/80/27/1073618027.db2.gz	KCDWRRMLVFVNLR-OAQYLSRUSA-N	1	1	413.566	1.449	20	0		HDADMO
CCOCCCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673669995	1073625540	/nfs/dbraw/zinc/62/55/40/1073625540.db2.gz	YDCARGDYGSQJCP-HXUWFJFHSA-N	1	1	402.539	1.827	20	0		HDADMO
CCOCCCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673669995	1073625545	/nfs/dbraw/zinc/62/55/45/1073625545.db2.gz	YDCARGDYGSQJCP-HXUWFJFHSA-N	1	1	402.539	1.827	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)CC2)C1	ZINC000673673464	1073628799	/nfs/dbraw/zinc/62/87/99/1073628799.db2.gz	SACCOXLHBCKAQY-AZUAARDMSA-N	1	1	405.587	1.589	20	0		HDADMO
CN(C(=O)NCCCN1CCCS1(=O)=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673705160	1073645713	/nfs/dbraw/zinc/64/57/13/1073645713.db2.gz	NAQIGBWTMHOHHQ-LJQANCHMSA-N	1	1	408.568	1.718	20	0		HDADMO
CC(C)C(=O)N1CCC(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000303003065	1073650040	/nfs/dbraw/zinc/65/00/40/1073650040.db2.gz	NHSBVIPNSWXARH-IBGZPJMESA-N	1	1	400.523	1.969	20	0		HDADMO
CC(C)C(=O)N1CCC(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000303003065	1073650045	/nfs/dbraw/zinc/65/00/45/1073650045.db2.gz	NHSBVIPNSWXARH-IBGZPJMESA-N	1	1	400.523	1.969	20	0		HDADMO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1	ZINC000673741145	1073674319	/nfs/dbraw/zinc/67/43/19/1073674319.db2.gz	RTPUTTATONVQAZ-LJQANCHMSA-N	1	1	416.570	1.230	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1	ZINC000673741145	1073674325	/nfs/dbraw/zinc/67/43/25/1073674325.db2.gz	RTPUTTATONVQAZ-LJQANCHMSA-N	1	1	416.570	1.230	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](Cc3ncnn3CCF)C[C@H]2CC1	ZINC000946684593	1073674414	/nfs/dbraw/zinc/67/44/14/1073674414.db2.gz	KEVXFRVVQYEQLS-XWEXYQFDSA-N	1	1	403.502	1.341	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@@H+](Cc3ncnn3CCF)C[C@H]2CC1	ZINC000946684593	1073674415	/nfs/dbraw/zinc/67/44/15/1073674415.db2.gz	KEVXFRVVQYEQLS-XWEXYQFDSA-N	1	1	403.502	1.341	20	0		HDADMO
O=C(Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1)NC1CCCCC1	ZINC000673740699	1073675613	/nfs/dbraw/zinc/67/56/13/1073675613.db2.gz	IGZXZBXNPWJYPO-MOPGFXCFSA-N	1	1	403.527	1.003	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000429121289	1073688943	/nfs/dbraw/zinc/68/89/43/1073688943.db2.gz	KAZCFBSLPGKYJU-INIZCTEOSA-N	1	1	412.556	1.554	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000429121289	1073688950	/nfs/dbraw/zinc/68/89/50/1073688950.db2.gz	KAZCFBSLPGKYJU-INIZCTEOSA-N	1	1	412.556	1.554	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC000673757544	1073691806	/nfs/dbraw/zinc/69/18/06/1073691806.db2.gz	CEAYZEYIHKHCIK-QGZVFWFLSA-N	1	1	417.531	1.836	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1	ZINC000673759149	1073698940	/nfs/dbraw/zinc/69/89/40/1073698940.db2.gz	APCPRIUXBKIDEO-UHFFFAOYSA-N	1	1	415.538	1.383	20	0		HDADMO
O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000509141924	1073712005	/nfs/dbraw/zinc/71/20/05/1073712005.db2.gz	URAPUGJYHYWSLV-IBGZPJMESA-N	1	1	409.552	1.150	20	0		HDADMO
O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CCC[N@@H+](CCCc2ccccc2)CC1	ZINC000509141924	1073712012	/nfs/dbraw/zinc/71/20/12/1073712012.db2.gz	URAPUGJYHYWSLV-IBGZPJMESA-N	1	1	409.552	1.150	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1	ZINC000673817279	1073772307	/nfs/dbraw/zinc/77/23/07/1073772307.db2.gz	RDIHRACWGBWNTO-PMACEKPBSA-N	1	1	402.514	1.731	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3Cc4cccc(O)c4C3)CC2)CC1	ZINC000429147358	1073779225	/nfs/dbraw/zinc/77/92/25/1073779225.db2.gz	BJLNCDBEEPDOQQ-GOSISDBHSA-N	1	1	400.523	1.445	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429151154	1073789504	/nfs/dbraw/zinc/78/95/04/1073789504.db2.gz	QKDOWQHGRYXVQS-KRWDZBQOSA-N	1	1	411.572	1.125	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466541963	1073799298	/nfs/dbraw/zinc/79/92/98/1073799298.db2.gz	SSZGIYJEKYGUOR-YOEHRIQHSA-N	1	1	422.489	1.417	20	0		HDADMO
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000673833700	1073801678	/nfs/dbraw/zinc/80/16/78/1073801678.db2.gz	NLSJFYSXGYDIST-KRWDZBQOSA-N	1	1	404.902	1.707	20	0		HDADMO
CCOC(=O)[C@H](NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1	ZINC000543489024	1073801953	/nfs/dbraw/zinc/80/19/53/1073801953.db2.gz	LHOGADQZBBBKTD-PZJWPPBQSA-N	1	1	403.523	1.279	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1Cc1ccc(F)cc1	ZINC000673839862	1073805312	/nfs/dbraw/zinc/80/53/12/1073805312.db2.gz	HDODZXYCFAVNQN-SFTDATJTSA-N	1	1	404.530	1.313	20	0		HDADMO
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673841346	1073805479	/nfs/dbraw/zinc/80/54/79/1073805479.db2.gz	XGZWXQHEWUVBPK-INIZCTEOSA-N	1	1	407.584	1.767	20	0		HDADMO
Cc1c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc(Br)cc1S(N)(=O)=O	ZINC000673837045	1073812077	/nfs/dbraw/zinc/81/20/77/1073812077.db2.gz	CSSPHHNGPXTNSG-ZDUSSCGKSA-N	1	1	416.341	1.619	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)c2)C1	ZINC000673837995	1073812757	/nfs/dbraw/zinc/81/27/57/1073812757.db2.gz	QNLWEMLSRKMMAG-PMACEKPBSA-N	1	1	422.533	1.459	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000057322848	1073816418	/nfs/dbraw/zinc/81/64/18/1073816418.db2.gz	KJYHCTSCCLFVKN-PZJWPPBQSA-N	1	1	416.566	1.194	20	0		HDADMO
CN(C)c1nc(CNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cs1	ZINC000673850610	1073816469	/nfs/dbraw/zinc/81/64/69/1073816469.db2.gz	KYAJCBLQALUBHK-UHFFFAOYSA-N	1	1	402.568	1.956	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2csc(-c3ccco3)n2)CC1	ZINC000673856995	1073825171	/nfs/dbraw/zinc/82/51/71/1073825171.db2.gz	FQEKISYXXFBTGT-UHFFFAOYSA-N	1	1	406.508	1.325	20	0		HDADMO
CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1C	ZINC000673891698	1073863222	/nfs/dbraw/zinc/86/32/22/1073863222.db2.gz	PSYOMVAQLTTXEB-UHFFFAOYSA-N	1	1	402.495	1.524	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000429165758	1073913211	/nfs/dbraw/zinc/91/32/11/1073913211.db2.gz	GKJRBNMWDFYMND-WMZOPIPTSA-N	1	1	421.563	1.596	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000429165758	1073913214	/nfs/dbraw/zinc/91/32/14/1073913214.db2.gz	GKJRBNMWDFYMND-WMZOPIPTSA-N	1	1	421.563	1.596	20	0		HDADMO
COc1ccc(C(=O)NCC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1OC	ZINC000026065005	1073929373	/nfs/dbraw/zinc/92/93/73/1073929373.db2.gz	PPGIKKIOFBYKGB-QGZVFWFLSA-N	1	1	407.511	1.297	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000429174479	1073942786	/nfs/dbraw/zinc/94/27/86/1073942786.db2.gz	YRZQOMXVKKWQMT-IAGOWNOFSA-N	1	1	403.593	1.115	20	0		HDADMO
CCS(=O)(=O)N1CCC(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1	ZINC000543513636	1073943960	/nfs/dbraw/zinc/94/39/60/1073943960.db2.gz	DPUGLXFWCMCZFF-FQEVSTJZSA-N	1	1	422.595	1.153	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC2CCN(c3cccnn3)CC2)C[C@@H](C)O1	ZINC000429176012	1073958143	/nfs/dbraw/zinc/95/81/43/1073958143.db2.gz	LUWLNOKNXWLHIM-LMMKCTJWSA-N	1	1	402.543	1.729	20	0		HDADMO
CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC000670440946	1073963913	/nfs/dbraw/zinc/96/39/13/1073963913.db2.gz	NAKXQUOLGSSRPW-PCCBWWKXSA-N	1	1	409.534	1.795	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1	ZINC000543521737	1073979817	/nfs/dbraw/zinc/97/98/17/1073979817.db2.gz	GVTYQLBUNUBKBS-UHFFFAOYSA-N	1	1	408.587	1.138	20	0		HDADMO
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000543520537	1073984334	/nfs/dbraw/zinc/98/43/34/1073984334.db2.gz	KMAOBZCHGQYBDE-INIZCTEOSA-N	1	1	420.535	1.199	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1	ZINC000466578167	1074004218	/nfs/dbraw/zinc/00/42/18/1074004218.db2.gz	MKJLZULDEIQFBV-AQNXPRMDSA-N	1	1	400.523	1.507	20	0		HDADMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N1CCCc2ccc(F)cc21	ZINC000543527478	1074007325	/nfs/dbraw/zinc/00/73/25/1074007325.db2.gz	DVEQEPMZXFDHCT-HXUWFJFHSA-N	1	1	411.477	1.988	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)C1	ZINC000466584873	1074028935	/nfs/dbraw/zinc/02/89/35/1074028935.db2.gz	DRASSLWMHDXTFX-INIZCTEOSA-N	1	1	422.961	1.565	20	0		HDADMO
O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@@H]2C1	ZINC000466584163	1074031314	/nfs/dbraw/zinc/03/13/14/1074031314.db2.gz	HHCBJDGDLXNCHJ-JKSUJKDBSA-N	1	1	411.428	1.699	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[NH+]1CCOCC1	ZINC000543534476	1074033129	/nfs/dbraw/zinc/03/31/29/1074033129.db2.gz	NIBWMHRBQVPFJQ-GOSISDBHSA-N	1	1	420.558	1.975	20	0		HDADMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1	ZINC000543535677	1074039163	/nfs/dbraw/zinc/03/91/63/1074039163.db2.gz	ALIGAEXXHLFSMN-ZWKOTPCHSA-N	1	1	417.554	1.916	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccnc(O[C@@H]4CCOC4)c3)cc2)CC1	ZINC000543540286	1074051681	/nfs/dbraw/zinc/05/16/81/1074051681.db2.gz	PHPHWBAWULSSQF-HXUWFJFHSA-N	1	1	424.501	1.567	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2cnnn2)cc1	ZINC000429200249	1074071583	/nfs/dbraw/zinc/07/15/83/1074071583.db2.gz	QLFGLSIBWHQPMY-OAQYLSRUSA-N	1	1	407.478	1.763	20	0		HDADMO
O=S(=O)(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc2c1OCO2	ZINC000509203844	1074098277	/nfs/dbraw/zinc/09/82/77/1074098277.db2.gz	AZCHVSTXMXTELC-IRXDYDNUSA-N	1	1	404.488	1.577	20	0		HDADMO
O=S(=O)(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc2c1OCO2	ZINC000509203844	1074098286	/nfs/dbraw/zinc/09/82/86/1074098286.db2.gz	AZCHVSTXMXTELC-IRXDYDNUSA-N	1	1	404.488	1.577	20	0		HDADMO
Cn1c2ncn(CC[N@@H+](C)[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2c(=O)n(C)c1=O	ZINC000543560518	1074107795	/nfs/dbraw/zinc/10/77/95/1074107795.db2.gz	GHYZMIJZWMFDKG-IAGOWNOFSA-N	1	1	415.469	1.425	20	0		HDADMO
CC(=O)NCCc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1	ZINC000674044048	1074131636	/nfs/dbraw/zinc/13/16/36/1074131636.db2.gz	ASVSCFPRCAVSIG-UHFFFAOYSA-N	1	1	407.511	1.915	20	0		HDADMO
CC(=O)NCCc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1	ZINC000674044048	1074131643	/nfs/dbraw/zinc/13/16/43/1074131643.db2.gz	ASVSCFPRCAVSIG-UHFFFAOYSA-N	1	1	407.511	1.915	20	0		HDADMO
C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000229623939	1074147087	/nfs/dbraw/zinc/14/70/87/1074147087.db2.gz	NKKVSOUQOBYANO-HUUCEWRRSA-N	1	1	424.542	1.590	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1	ZINC000674055911	1074148204	/nfs/dbraw/zinc/14/82/04/1074148204.db2.gz	IRUMWJULHZYECH-GOEBONIOSA-N	1	1	409.556	1.926	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnc(O[C@@H]2CCOC2)c1	ZINC000543578060	1074159889	/nfs/dbraw/zinc/15/98/89/1074159889.db2.gz	TXBUUYUJFJOTNQ-NJDAHSKKSA-N	1	1	411.502	1.862	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2c(F)cccc2F)n1	ZINC000674093541	1074181342	/nfs/dbraw/zinc/18/13/42/1074181342.db2.gz	CUWZVBQSOBLTBC-HNNXBMFYSA-N	1	1	405.449	1.287	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC000674135775	1074193223	/nfs/dbraw/zinc/19/32/23/1074193223.db2.gz	FJIOZMGCCKJLPT-OXJNMPFZSA-N	1	1	417.531	1.740	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCN1CCCS1(=O)=O	ZINC000674157818	1074194994	/nfs/dbraw/zinc/19/49/94/1074194994.db2.gz	PGBQDUZORWFPMD-HKUYNNGSSA-N	1	1	408.568	1.622	20	0		HDADMO
O=C(NC[C@H]1SCCc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674159726	1074196261	/nfs/dbraw/zinc/19/62/61/1074196261.db2.gz	OPAWFJCRYYYLMI-AZUAARDMSA-N	1	1	404.580	1.723	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1	ZINC000674168692	1074201102	/nfs/dbraw/zinc/20/11/02/1074201102.db2.gz	HJPBNGBUZKDPBR-NEWSRXKRSA-N	1	1	408.568	1.620	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1	ZINC000674168486	1074201568	/nfs/dbraw/zinc/20/15/68/1074201568.db2.gz	GCRZWFVANLWZBJ-PKOBYXMFSA-N	1	1	423.583	1.031	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N3CCN(C(=O)N4CCCC4)CC3)CC2)nc(C)[nH+]1	ZINC000674188940	1074203376	/nfs/dbraw/zinc/20/33/76/1074203376.db2.gz	ZNPNDOGZZYJALB-UHFFFAOYSA-N	1	1	415.542	1.605	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1	ZINC000674193585	1074207898	/nfs/dbraw/zinc/20/78/98/1074207898.db2.gz	ALCCBEHYYDXKLY-LJQANCHMSA-N	1	1	424.501	1.612	20	0		HDADMO
CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000674194632	1074209229	/nfs/dbraw/zinc/20/92/29/1074209229.db2.gz	OKZZRUPEMOGLGP-MRXNPFEDSA-N	1	1	407.946	1.583	20	0		HDADMO
Cc1ccc(NC(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1S(N)(=O)=O	ZINC000674250755	1074243333	/nfs/dbraw/zinc/24/33/33/1074243333.db2.gz	GQBCUQMMWAIALQ-IBGZPJMESA-N	1	1	416.547	1.787	20	0		HDADMO
COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC2)cc1	ZINC000785471347	1074247591	/nfs/dbraw/zinc/24/75/91/1074247591.db2.gz	GFDRZZIFVAVJKI-KRWDZBQOSA-N	1	1	420.554	1.956	20	0		HDADMO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1	ZINC000674294016	1074257372	/nfs/dbraw/zinc/25/73/72/1074257372.db2.gz	MWIKXFZWRCXUFP-UHFFFAOYSA-N	1	1	405.543	1.935	20	0		HDADMO
CN(C[C@@H](O)C1CC1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674316852	1074265993	/nfs/dbraw/zinc/26/59/93/1074265993.db2.gz	FGMWWKDENYIIQH-LJQANCHMSA-N	1	1	403.527	1.131	20	0		HDADMO
COC1CC[NH+](CCNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1	ZINC000674311663	1074269526	/nfs/dbraw/zinc/26/95/26/1074269526.db2.gz	KISWBFPOFDNUFC-UHFFFAOYSA-N	1	1	415.581	1.763	20	0		HDADMO
CC[N@@H+]1CCc2nc(NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)sc2C1	ZINC000674329312	1074278639	/nfs/dbraw/zinc/27/86/39/1074278639.db2.gz	ZJJADCHNFSHJBJ-UHFFFAOYSA-N	1	1	414.285	1.185	20	0		HDADMO
CC[N@H+]1CCc2nc(NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)sc2C1	ZINC000674329312	1074278645	/nfs/dbraw/zinc/27/86/45/1074278645.db2.gz	ZJJADCHNFSHJBJ-UHFFFAOYSA-N	1	1	414.285	1.185	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCC(NC(C)=O)CC3)cc2)CC1	ZINC000674319114	1074279931	/nfs/dbraw/zinc/27/99/31/1074279931.db2.gz	PFWBYJREJBHFCV-UHFFFAOYSA-N	1	1	415.538	1.526	20	0		HDADMO
Cc1ccccc1OCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000674320032	1074280322	/nfs/dbraw/zinc/28/03/22/1074280322.db2.gz	CJKIMDZTVMROPL-UHFFFAOYSA-N	1	1	403.523	1.451	20	0		HDADMO
COCC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1	ZINC000674332820	1074286545	/nfs/dbraw/zinc/28/65/45/1074286545.db2.gz	UWPQMUQQEDAFOZ-YLJYHZDGSA-N	1	1	402.539	1.976	20	0		HDADMO
CC(C)(C)NC(=O)C[NH+]1CCC(CNS(=O)(=O)C2Cc3ccccc3C2)CC1	ZINC000674345826	1074288414	/nfs/dbraw/zinc/28/84/14/1074288414.db2.gz	BYBLGZIFGNPHFT-UHFFFAOYSA-N	1	1	407.580	1.700	20	0		HDADMO
COc1ccc(C(=O)CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1F	ZINC000674360443	1074292779	/nfs/dbraw/zinc/29/27/79/1074292779.db2.gz	PQVSGUJHESBESV-QGZVFWFLSA-N	1	1	407.486	1.320	20	0		HDADMO
COc1ccc(C(=O)CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1F	ZINC000674360443	1074292785	/nfs/dbraw/zinc/29/27/85/1074292785.db2.gz	PQVSGUJHESBESV-QGZVFWFLSA-N	1	1	407.486	1.320	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C[C@H](O)CN1CCOCC1	ZINC000674369082	1074298110	/nfs/dbraw/zinc/29/81/10/1074298110.db2.gz	WVHSCUOOMXCZGA-PMACEKPBSA-N	1	1	419.566	1.705	20	0		HDADMO
CS(=O)(=O)c1ccc(CNC(=O)C[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1	ZINC000674371593	1074299820	/nfs/dbraw/zinc/29/98/20/1074299820.db2.gz	SPRDOXCRYJOWKD-HXUWFJFHSA-N	1	1	412.515	1.934	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CCN2C1=O	ZINC000674376979	1074301868	/nfs/dbraw/zinc/30/18/68/1074301868.db2.gz	JDNNXFVYPDFXJQ-IRXDYDNUSA-N	1	1	402.520	1.271	20	0		HDADMO
CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674395773	1074310128	/nfs/dbraw/zinc/31/01/28/1074310128.db2.gz	FOKQLHXKURRDOR-LEWJYISDSA-N	1	1	404.555	1.233	20	0		HDADMO
COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000674434179	1074332090	/nfs/dbraw/zinc/33/20/90/1074332090.db2.gz	IYGFRGCORIIMGK-OAHLLOKOSA-N	1	1	415.498	1.305	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)N(C)CCN2CCCS2(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000674439976	1074338678	/nfs/dbraw/zinc/33/86/78/1074338678.db2.gz	LMCSNWKNCXYYBX-HKUYNNGSSA-N	1	1	408.568	1.716	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1	ZINC000140845781	1074353458	/nfs/dbraw/zinc/35/34/58/1074353458.db2.gz	ZBMZYODPZADHNA-QGZVFWFLSA-N	1	1	405.495	1.412	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)CCN2C1=O	ZINC000674471524	1074370180	/nfs/dbraw/zinc/37/01/80/1074370180.db2.gz	GGTFJMQZOOQAHA-JSGCOSHPSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O	ZINC000674473025	1074370496	/nfs/dbraw/zinc/37/04/96/1074370496.db2.gz	RCFZNVITMSWIAI-AWEZNQCLSA-N	1	1	409.284	1.746	20	0		HDADMO
CCC1(CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1	ZINC000674483241	1074387980	/nfs/dbraw/zinc/38/79/80/1074387980.db2.gz	YRMYWVJALMHSJM-UHFFFAOYSA-N	1	1	415.538	1.142	20	0		HDADMO
C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)CCN4CCCS4(=O)=O)nc(N)c23)C1	ZINC000674495793	1074407068	/nfs/dbraw/zinc/40/70/68/1074407068.db2.gz	NWHCOKUENIOGFN-CYBMUJFWSA-N	1	1	423.608	1.908	20	0		HDADMO
C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)CCN4CCCS4(=O)=O)nc(N)c23)C1	ZINC000674495793	1074407072	/nfs/dbraw/zinc/40/70/72/1074407072.db2.gz	NWHCOKUENIOGFN-CYBMUJFWSA-N	1	1	423.608	1.908	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1=O	ZINC000674606646	1074476833	/nfs/dbraw/zinc/47/68/33/1074476833.db2.gz	KCGGDFQINWCDGQ-NRJQMVOHSA-N	1	1	414.506	1.021	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1	ZINC000674614692	1074485975	/nfs/dbraw/zinc/48/59/75/1074485975.db2.gz	VDRQGHZTIOUHSH-PHIMTYICSA-N	1	1	404.355	1.533	20	0		HDADMO
CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1ccccc1C	ZINC000674631315	1074494403	/nfs/dbraw/zinc/49/44/03/1074494403.db2.gz	NMOWOCITDRRVRU-VQTJNVASSA-N	1	1	404.555	1.858	20	0		HDADMO
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1	ZINC000670479826	1074510791	/nfs/dbraw/zinc/51/07/91/1074510791.db2.gz	NUHVNLBQQDFWTG-VQTJNVASSA-N	1	1	403.523	1.451	20	0		HDADMO
CO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1(C)C	ZINC000674678927	1074520962	/nfs/dbraw/zinc/52/09/62/1074520962.db2.gz	JYOYWDYJQPZKJI-RTBURBONSA-N	1	1	417.554	1.832	20	0		HDADMO
O=C(NC1CCOCC1)c1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000674697213	1074527300	/nfs/dbraw/zinc/52/73/00/1074527300.db2.gz	NUQAKABXJOYXKB-HXUWFJFHSA-N	1	1	416.522	1.924	20	0		HDADMO
Cc1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(N2CCOCC2)c1	ZINC000674707834	1074536198	/nfs/dbraw/zinc/53/61/98/1074536198.db2.gz	SFWKUBXOCSLZDS-OAQYLSRUSA-N	1	1	415.582	1.753	20	0		HDADMO
Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC001128809875	1074544986	/nfs/dbraw/zinc/54/49/86/1074544986.db2.gz	YTPLBWIWNAILGF-OAQYLSRUSA-N	1	1	414.531	1.927	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(c2cccs2)CC1	ZINC000674783765	1074564379	/nfs/dbraw/zinc/56/43/79/1074564379.db2.gz	PXWZDSOAICVQBH-GOSISDBHSA-N	1	1	407.584	1.423	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NC[C@]2(C)CCCO2)cc1	ZINC000674851137	1074592119	/nfs/dbraw/zinc/59/21/19/1074592119.db2.gz	STJHXJQJIBBGNE-NRFANRHFSA-N	1	1	403.527	1.587	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)C1(CO)CCC1	ZINC000429241390	1074592143	/nfs/dbraw/zinc/59/21/43/1074592143.db2.gz	WEBWOOCEHZOSPF-UHFFFAOYSA-N	1	1	409.552	1.955	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1	ZINC000674872438	1074593299	/nfs/dbraw/zinc/59/32/99/1074593299.db2.gz	OWFWBALDOQRQLG-KRWDZBQOSA-N	1	1	411.554	1.970	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1	ZINC000674872438	1074593302	/nfs/dbraw/zinc/59/33/02/1074593302.db2.gz	OWFWBALDOQRQLG-KRWDZBQOSA-N	1	1	411.554	1.970	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CCCC[C@@H]1CCO)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000674872132	1074593693	/nfs/dbraw/zinc/59/36/93/1074593693.db2.gz	ULUYARXIAOAJCD-OAHLLOKOSA-N	1	1	409.531	1.311	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000674927504	1074625527	/nfs/dbraw/zinc/62/55/27/1074625527.db2.gz	KHBLEAHDOYHLKG-GIVPXCGWSA-N	1	1	402.539	1.787	20	0		HDADMO
O=C(Cc1cccc(O)c1)NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1	ZINC000509303106	1074663518	/nfs/dbraw/zinc/66/35/18/1074663518.db2.gz	HCIINAOBWZZDSY-NRFANRHFSA-N	1	1	421.497	1.843	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429310859	1074666799	/nfs/dbraw/zinc/66/67/99/1074666799.db2.gz	XUTXPKYMQCKWDJ-IRXDYDNUSA-N	1	1	402.543	1.291	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1	ZINC000429312724	1074667358	/nfs/dbraw/zinc/66/73/58/1074667358.db2.gz	TUPFYLDVJXPPHI-FQEVSTJZSA-N	1	1	402.539	1.584	20	0		HDADMO
CNc1nnc(CC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)s1	ZINC000546798199	1074667813	/nfs/dbraw/zinc/66/78/13/1074667813.db2.gz	GSKLAEGYIUFHEY-UHFFFAOYSA-N	1	1	402.568	1.837	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O	ZINC000675003205	1074684867	/nfs/dbraw/zinc/68/48/67/1074684867.db2.gz	DDIOMKFVEQEGPE-DLBZAZTESA-N	1	1	402.495	1.307	20	0		HDADMO
O=C(Cn1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1)N1CCOCC1	ZINC000469534950	1074689840	/nfs/dbraw/zinc/68/98/40/1074689840.db2.gz	GMYYGZJYIOQIHL-LJQANCHMSA-N	1	1	411.506	1.735	20	0		HDADMO
O=C(Cn1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)n1)N1CCOCC1	ZINC000469534950	1074689872	/nfs/dbraw/zinc/68/98/72/1074689872.db2.gz	GMYYGZJYIOQIHL-LJQANCHMSA-N	1	1	411.506	1.735	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)s1	ZINC000539536201	1074700721	/nfs/dbraw/zinc/70/07/21/1074700721.db2.gz	WGMXLLLTZCIHKS-UHFFFAOYSA-N	1	1	413.544	1.856	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000675096879	1074708159	/nfs/dbraw/zinc/70/81/59/1074708159.db2.gz	DUKYJMOVUPPYCD-YGRLFVJLSA-N	1	1	405.829	1.393	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000675096879	1074708171	/nfs/dbraw/zinc/70/81/71/1074708171.db2.gz	DUKYJMOVUPPYCD-YGRLFVJLSA-N	1	1	405.829	1.393	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000675096876	1074708224	/nfs/dbraw/zinc/70/82/24/1074708224.db2.gz	DUKYJMOVUPPYCD-HZMBPMFUSA-N	1	1	405.829	1.393	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000675096876	1074708232	/nfs/dbraw/zinc/70/82/32/1074708232.db2.gz	DUKYJMOVUPPYCD-HZMBPMFUSA-N	1	1	405.829	1.393	20	0		HDADMO
COCCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000675112714	1074717700	/nfs/dbraw/zinc/71/77/00/1074717700.db2.gz	SLOZODRAYHMGDI-YLJYHZDGSA-N	1	1	402.539	1.834	20	0		HDADMO
CC(C)n1ccc(NC(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)n1	ZINC000580529927	1074719955	/nfs/dbraw/zinc/71/99/55/1074719955.db2.gz	OZMWNSDCERACQH-UHFFFAOYSA-N	1	1	424.505	2.328	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CCN2C1=O	ZINC000675108144	1074723781	/nfs/dbraw/zinc/72/37/81/1074723781.db2.gz	MSDAIWOWBFUMQF-UHOSZYNNSA-N	1	1	413.522	1.717	20	0		HDADMO
Cc1c(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675134247	1074727693	/nfs/dbraw/zinc/72/76/93/1074727693.db2.gz	DYTXDFINRSKKDB-MSOLQXFVSA-N	1	1	410.522	1.728	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CCCc3n[nH]cc32)cc1	ZINC000675136246	1074728437	/nfs/dbraw/zinc/72/84/37/1074728437.db2.gz	KUKDNZFKXLOYOE-SFHVURJKSA-N	1	1	410.522	1.679	20	0		HDADMO
Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12	ZINC000675126849	1074731696	/nfs/dbraw/zinc/73/16/96/1074731696.db2.gz	PJETUEDZXFILGB-KBXCAEBGSA-N	1	1	406.490	1.994	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[N@H+]1Cc1ccccc1	ZINC000675126697	1074731738	/nfs/dbraw/zinc/73/17/38/1074731738.db2.gz	IUGUTIGFVFCGRL-HNAYVOBHSA-N	1	1	406.486	1.690	20	0		HDADMO
C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[N@H+]1CCCC[C@H]1C	ZINC000543615341	1074738539	/nfs/dbraw/zinc/73/85/39/1074738539.db2.gz	YMVJEKNXKABUBJ-IAGOWNOFSA-N	1	1	402.543	1.854	20	0		HDADMO
Cc1cc(Br)ncc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000766096425	1074754333	/nfs/dbraw/zinc/75/43/33/1074754333.db2.gz	SYAOCCJRENBZAB-CQSZACIVSA-N	1	1	410.316	1.923	20	0		HDADMO
CN(CCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21	ZINC000766096073	1074754941	/nfs/dbraw/zinc/75/49/41/1074754941.db2.gz	GDOQJRUAHIAENQ-WMZOPIPTSA-N	1	1	418.563	1.790	20	0		HDADMO
C[N@H+]1CCN(CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1(C)C	ZINC000670496683	1074755094	/nfs/dbraw/zinc/75/50/94/1074755094.db2.gz	XAHOQKVVDPKZNN-UHFFFAOYSA-N	1	1	415.365	1.794	20	0		HDADMO
O=C(Nc1ccn(Cc2ccccc2)n1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000675208407	1074757730	/nfs/dbraw/zinc/75/77/30/1074757730.db2.gz	VEWVCULEWZQMJR-IBGZPJMESA-N	1	1	411.506	1.583	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNC(C)(C)c2cc(C(F)(F)F)on2)C1	ZINC000429244262	1074763437	/nfs/dbraw/zinc/76/34/37/1074763437.db2.gz	JQEWCYBCUGPMII-ZDUSSCGKSA-N	1	1	406.449	1.991	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC[C@H]21	ZINC000766100340	1074770506	/nfs/dbraw/zinc/77/05/06/1074770506.db2.gz	ZXQIXSUTIUZWLG-SOIKWTOOSA-N	1	1	402.470	1.535	20	0		HDADMO
CCC(CC)[C@H](C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)[NH+]1CCOCC1	ZINC000460670857	1074786279	/nfs/dbraw/zinc/78/62/79/1074786279.db2.gz	JQSMAWXPINJXQA-LJQANCHMSA-N	1	1	406.527	2.297	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000524480250	1074797117	/nfs/dbraw/zinc/79/71/17/1074797117.db2.gz	UGSHSEKTGAHKRO-LJQANCHMSA-N	1	1	404.474	1.987	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000524480250	1074797124	/nfs/dbraw/zinc/79/71/24/1074797124.db2.gz	UGSHSEKTGAHKRO-LJQANCHMSA-N	1	1	404.474	1.987	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[N@H+]1CCC[C@@H](C)C1	ZINC000675317764	1074797793	/nfs/dbraw/zinc/79/77/93/1074797793.db2.gz	BAFHFANKJPBFAB-VKJFTORMSA-N	1	1	420.941	1.798	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC[C@H]21	ZINC000766111586	1074818149	/nfs/dbraw/zinc/81/81/49/1074818149.db2.gz	XTQDYRSUZNWYJL-OKZBNKHCSA-N	1	1	402.495	1.100	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1	ZINC000514415624	1075095778	/nfs/dbraw/zinc/09/57/78/1075095778.db2.gz	QHUDQZJWGKVHEU-UHFFFAOYSA-N	1	1	420.558	1.718	20	0		HDADMO
CCCN(C(=O)C(=O)Nc1ccc(OC)nn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000570063291	1075115455	/nfs/dbraw/zinc/11/54/55/1075115455.db2.gz	DYOBDBWBRZGTJV-SFHVURJKSA-N	1	1	411.506	2.327	20	0		HDADMO
CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000550864974	1075118871	/nfs/dbraw/zinc/11/88/71/1075118871.db2.gz	OGLREYZUAQQECU-UHFFFAOYSA-N	1	1	422.327	2.421	20	0		HDADMO
O=C(NCCc1ccc(C(F)(F)F)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000670514327	1075119969	/nfs/dbraw/zinc/11/99/69/1075119969.db2.gz	TUAMSMSHDWDOFI-INIZCTEOSA-N	1	1	413.440	1.545	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)n1	ZINC000675405672	1075131331	/nfs/dbraw/zinc/13/13/31/1075131331.db2.gz	SDROATNPADLXRY-QGZVFWFLSA-N	1	1	411.506	1.754	20	0		HDADMO
COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)CN2CCOCC2)c1	ZINC000766122257	1075132637	/nfs/dbraw/zinc/13/26/37/1075132637.db2.gz	SLOZELQLFBIELP-FYYLOGMGSA-N	1	1	400.519	1.924	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC2(CC1)OCc1ccccc12	ZINC000675423058	1075139218	/nfs/dbraw/zinc/13/92/18/1075139218.db2.gz	HCKUPBYPCXOHFD-HXUWFJFHSA-N	1	1	414.550	1.624	20	0		HDADMO
Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3cc4n(n3)CCNC4=O)n2)c1	ZINC001212554320	1075147571	/nfs/dbraw/zinc/14/75/71/1075147571.db2.gz	XGKICNHLKLVAPB-UHFFFAOYSA-N	1	1	403.402	1.731	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)n1	ZINC000444503984	1075147647	/nfs/dbraw/zinc/14/76/47/1075147647.db2.gz	XXDYPFSPAPRLII-UHFFFAOYSA-N	1	1	414.441	1.808	20	0		HDADMO
O=C(NCCc1ccc2[nH]ccc2c1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000670527102	1075150960	/nfs/dbraw/zinc/15/09/60/1075150960.db2.gz	XBWYMFQMYZZMES-UHFFFAOYSA-N	1	1	412.534	1.978	20	0		HDADMO
O=C(Nc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000463992217	1075157333	/nfs/dbraw/zinc/15/73/33/1075157333.db2.gz	FMYDBZVSORHISS-LJQANCHMSA-N	1	1	405.458	2.016	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1	ZINC000144182283	1075164577	/nfs/dbraw/zinc/16/45/77/1075164577.db2.gz	JRCNHHWKHMBLIW-DLBZAZTESA-N	1	1	412.534	1.916	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000144203132	1075165314	/nfs/dbraw/zinc/16/53/14/1075165314.db2.gz	WEAWFCIWGYFMHA-STQMWFEESA-N	1	1	413.316	1.646	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000144203132	1075165319	/nfs/dbraw/zinc/16/53/19/1075165319.db2.gz	WEAWFCIWGYFMHA-STQMWFEESA-N	1	1	413.316	1.646	20	0		HDADMO
O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N1CC[NH+](CC2CC2)CC1	ZINC000490380818	1075166516	/nfs/dbraw/zinc/16/65/16/1075166516.db2.gz	VNAQPFGLKNJOLG-UHFFFAOYSA-N	1	1	422.411	1.779	20	0		HDADMO
COC(=O)c1coc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1	ZINC000543630649	1075168369	/nfs/dbraw/zinc/16/83/69/1075168369.db2.gz	ZZAKUHPKSJKHNU-MRXNPFEDSA-N	1	1	408.476	1.813	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2ccnn2)C[N@H+]1Cc1ccccc1	ZINC000466681946	1075169585	/nfs/dbraw/zinc/16/95/85/1075169585.db2.gz	VGZTZVDZLPMRMU-FUHWJXTLSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2ccnn2)C[N@H+]1Cc1ccccc1	ZINC000466681947	1075169635	/nfs/dbraw/zinc/16/96/35/1075169635.db2.gz	VGZTZVDZLPMRMU-SJLPKXTDSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cn(-c2ccccc2)nn1	ZINC000675486251	1075173025	/nfs/dbraw/zinc/17/30/25/1075173025.db2.gz	XMJWOYJPSOUOSA-MSOLQXFVSA-N	1	1	413.526	1.034	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCNc2ccc(C)c[nH+]2)c1	ZINC000531252916	1075176445	/nfs/dbraw/zinc/17/64/45/1075176445.db2.gz	VRZSRJSHDNHCPR-UHFFFAOYSA-N	1	1	420.535	1.855	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1	ZINC000675497174	1075176964	/nfs/dbraw/zinc/17/69/64/1075176964.db2.gz	FLELEQXXGWLUOH-MRXNPFEDSA-N	1	1	403.907	1.723	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1	ZINC000675497174	1075176967	/nfs/dbraw/zinc/17/69/67/1075176967.db2.gz	FLELEQXXGWLUOH-MRXNPFEDSA-N	1	1	403.907	1.723	20	0		HDADMO
CC[C@@H](NC(=O)c1ccc(=O)n(CCOC)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675501079	1075179384	/nfs/dbraw/zinc/17/93/84/1075179384.db2.gz	WHLMMZQKSTTWEC-RTWAWAEBSA-N	1	1	413.518	1.904	20	0		HDADMO
CC[C@@H](NC(=O)c1ccc(=O)n(CCOC)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675501079	1075179387	/nfs/dbraw/zinc/17/93/87/1075179387.db2.gz	WHLMMZQKSTTWEC-RTWAWAEBSA-N	1	1	413.518	1.904	20	0		HDADMO
Cc1c(C(=O)NC[C@@H](CO)Cc2ccco2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675515799	1075181522	/nfs/dbraw/zinc/18/15/22/1075181522.db2.gz	ADNBCAGIYWSDSN-INIZCTEOSA-N	1	1	409.490	1.738	20	0		HDADMO
CC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675517607	1075184004	/nfs/dbraw/zinc/18/40/04/1075184004.db2.gz	NIPUQDSVTQFHAI-MSOLQXFVSA-N	1	1	411.568	1.500	20	0		HDADMO
CC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675517607	1075184006	/nfs/dbraw/zinc/18/40/06/1075184006.db2.gz	NIPUQDSVTQFHAI-MSOLQXFVSA-N	1	1	411.568	1.500	20	0		HDADMO
CC[C@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500870	1075185530	/nfs/dbraw/zinc/18/55/30/1075185530.db2.gz	OSGUQPCASRYBIE-VQTJNVASSA-N	1	1	402.539	1.930	20	0		HDADMO
CC[C@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500870	1075185533	/nfs/dbraw/zinc/18/55/33/1075185533.db2.gz	OSGUQPCASRYBIE-VQTJNVASSA-N	1	1	402.539	1.930	20	0		HDADMO
CCNC(=O)N1CC[C@H](NC(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)C1	ZINC000675531431	1075192110	/nfs/dbraw/zinc/19/21/10/1075192110.db2.gz	BLRWBSHIXCEKLU-SFHVURJKSA-N	1	1	416.526	1.390	20	0		HDADMO
O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000468457734	1075194651	/nfs/dbraw/zinc/19/46/51/1075194651.db2.gz	KVCNUJBHNUCJLV-FQEVSTJZSA-N	1	1	418.501	1.850	20	0		HDADMO
Cc1nc2sccn2c(=O)c1CC[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1	ZINC000509347602	1075195203	/nfs/dbraw/zinc/19/52/03/1075195203.db2.gz	ATRLKTPMHCIRLN-INIZCTEOSA-N	1	1	403.552	1.235	20	0		HDADMO
Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1	ZINC000466684763	1075195341	/nfs/dbraw/zinc/19/53/41/1075195341.db2.gz	UPYVGAFUBPWEOO-BEFAXECRSA-N	1	1	419.489	1.688	20	0		HDADMO
O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000429357862	1075199709	/nfs/dbraw/zinc/19/97/09/1075199709.db2.gz	XNHPUQXHABXWCC-JOCHJYFZSA-N	1	1	409.490	1.678	20	0		HDADMO
CCn1c(SCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)nnc1-c1cccs1	ZINC000675528268	1075200184	/nfs/dbraw/zinc/20/01/84/1075200184.db2.gz	RKOMHPDPAOCUDO-UHFFFAOYSA-N	1	1	422.580	1.351	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675556513	1075201863	/nfs/dbraw/zinc/20/18/63/1075201863.db2.gz	NWSKBOCYRNQOCL-FQEVSTJZSA-N	1	1	413.566	1.899	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675558546	1075202964	/nfs/dbraw/zinc/20/29/64/1075202964.db2.gz	LGFQNTQARSKTFJ-ROUUACIJSA-N	1	1	407.559	1.019	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675580742	1075212008	/nfs/dbraw/zinc/21/20/08/1075212008.db2.gz	SDWQBMNZJONDDX-VQTJNVASSA-N	1	1	405.587	1.589	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1	ZINC000675583084	1075213073	/nfs/dbraw/zinc/21/30/73/1075213073.db2.gz	BBDAAODMCZJZAQ-KRWDZBQOSA-N	1	1	412.538	1.826	20	0		HDADMO
CC[N@@H+](CCNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)CCC(F)(F)F	ZINC000491542250	1075214067	/nfs/dbraw/zinc/21/40/67/1075214067.db2.gz	BZMKFRDDVFXVCL-UHFFFAOYSA-N	1	1	422.473	1.638	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000675584580	1075214598	/nfs/dbraw/zinc/21/45/98/1075214598.db2.gz	BYFASJXXIXCNIN-ROUUACIJSA-N	1	1	415.494	1.937	20	0		HDADMO
Cc1nc(C2CC2)oc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000546796661	1075218252	/nfs/dbraw/zinc/21/82/52/1075218252.db2.gz	AFCRKZOHMBZINY-UHFFFAOYSA-N	1	1	404.511	1.551	20	0		HDADMO
CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675606909	1075223558	/nfs/dbraw/zinc/22/35/58/1075223558.db2.gz	BCKIMYOMYRTXDM-KRWDZBQOSA-N	1	1	403.504	1.446	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[NH+]2CCCC2)o1	ZINC000675591981	1075229678	/nfs/dbraw/zinc/22/96/78/1075229678.db2.gz	DKIYRMYROUKWIX-QZTJIDSGSA-N	1	1	415.494	1.855	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)CC1	ZINC000047999945	1075231401	/nfs/dbraw/zinc/23/14/01/1075231401.db2.gz	INIFNUFAHWVYMX-UHFFFAOYSA-N	1	1	415.563	2.283	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000675594181	1075231522	/nfs/dbraw/zinc/23/15/22/1075231522.db2.gz	QPSLCSFSZZIQSY-PMACEKPBSA-N	1	1	411.506	1.781	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)Nc1cnn(CC2CC2)c1	ZINC000675595508	1075232765	/nfs/dbraw/zinc/23/27/65/1075232765.db2.gz	MZMDDRSTWCVTGX-QGZVFWFLSA-N	1	1	410.522	1.559	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)CC(N)=O	ZINC000466691921	1075234642	/nfs/dbraw/zinc/23/46/42/1075234642.db2.gz	QOULMCKIORIBFC-MRXNPFEDSA-N	1	1	405.520	1.864	20	0		HDADMO
C[C@H](c1ccccc1)[N@@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)CC(N)=O	ZINC000466691921	1075234646	/nfs/dbraw/zinc/23/46/46/1075234646.db2.gz	QOULMCKIORIBFC-MRXNPFEDSA-N	1	1	405.520	1.864	20	0		HDADMO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000533459944	1075235281	/nfs/dbraw/zinc/23/52/81/1075235281.db2.gz	NYFHZWWISRBYCI-HKUYNNGSSA-N	1	1	408.506	1.740	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1	ZINC000466691329	1075244274	/nfs/dbraw/zinc/24/42/74/1075244274.db2.gz	OACSWSZIQCCFQY-WMLDXEAASA-N	1	1	420.469	1.630	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n1	ZINC000441099188	1075245141	/nfs/dbraw/zinc/24/51/41/1075245141.db2.gz	DMSKRGSUCGODCF-BZSNNMDCSA-N	1	1	413.522	2.150	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)n1	ZINC000441099188	1075245145	/nfs/dbraw/zinc/24/51/45/1075245145.db2.gz	DMSKRGSUCGODCF-BZSNNMDCSA-N	1	1	413.522	2.150	20	0		HDADMO
O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1	ZINC000675654981	1075248240	/nfs/dbraw/zinc/24/82/40/1075248240.db2.gz	XMXZECBUMIEXOE-QZTJIDSGSA-N	1	1	402.543	1.757	20	0		HDADMO
Cn1cccc1C(=O)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1	ZINC000675655991	1075250149	/nfs/dbraw/zinc/25/01/49/1075250149.db2.gz	JUZAXLPNRDLPQA-ROUUACIJSA-N	1	1	403.527	1.136	20	0		HDADMO
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000509359760	1075250849	/nfs/dbraw/zinc/25/08/49/1075250849.db2.gz	YRNABDHGYXICAV-CYBMUJFWSA-N	1	1	407.458	1.880	20	0		HDADMO
Cc1ccccc1-n1ccnc1SCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1	ZINC000675664375	1075251296	/nfs/dbraw/zinc/25/12/96/1075251296.db2.gz	KYBUHTLTEKXUBI-UHFFFAOYSA-N	1	1	401.536	1.505	20	0		HDADMO
COc1cc(OC)cc(OCCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000675715347	1075259827	/nfs/dbraw/zinc/25/98/27/1075259827.db2.gz	GVFRMNACFXXNPI-QGZVFWFLSA-N	1	1	406.527	1.504	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1NS(C)(=O)=O	ZINC000675757809	1075265233	/nfs/dbraw/zinc/26/52/33/1075265233.db2.gz	SCCJMSQVATXLLI-XJKSGUPXSA-N	1	1	415.581	1.744	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)CC1	ZINC000675789319	1075271963	/nfs/dbraw/zinc/27/19/63/1075271963.db2.gz	UYQPCZJWQOKGEB-UHFFFAOYSA-N	1	1	401.555	1.705	20	0		HDADMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000429380781	1075274030	/nfs/dbraw/zinc/27/40/30/1075274030.db2.gz	VGNZKEWUKHMNRE-GASCZTMLSA-N	1	1	424.567	1.630	20	0		HDADMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000429380781	1075274032	/nfs/dbraw/zinc/27/40/32/1075274032.db2.gz	VGNZKEWUKHMNRE-GASCZTMLSA-N	1	1	424.567	1.630	20	0		HDADMO
O=C(NCCOC[C@@H]1CCOC1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000675819855	1075277277	/nfs/dbraw/zinc/27/72/77/1075277277.db2.gz	OMSOHNNUZAYLQJ-QGZVFWFLSA-N	1	1	410.946	1.814	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)[C@H]3CCC[C@H](C)C3)n2)c1C	ZINC000434791899	1075277671	/nfs/dbraw/zinc/27/76/71/1075277671.db2.gz	CEEJEWKRCITYLL-BBRMVZONSA-N	1	1	414.510	2.322	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@H](C(C)C)C3)n2)c1C	ZINC000434823022	1075278661	/nfs/dbraw/zinc/27/86/61/1075278661.db2.gz	PSQZWIHOKFTYLA-HNNXBMFYSA-N	1	1	400.483	1.790	20	0		HDADMO
COc1cccc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CCO2)c1	ZINC000675827280	1075279309	/nfs/dbraw/zinc/27/93/09/1075279309.db2.gz	ZBKCMKXFNUAOHL-FPOVZHCZSA-N	1	1	418.538	1.185	20	0		HDADMO
CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O	ZINC000543650614	1075284056	/nfs/dbraw/zinc/28/40/56/1075284056.db2.gz	LMTKYFVOGGLDLL-MRXNPFEDSA-N	1	1	401.960	1.776	20	0		HDADMO
CC[C@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC[N@H+]1C[C@H](C)O	ZINC000543651514	1075284126	/nfs/dbraw/zinc/28/41/26/1075284126.db2.gz	IPVDKTYZGDNRJA-HOTGVXAUSA-N	1	1	404.511	1.531	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](CC(C)C)C3)CC2)cc1	ZINC000466704416	1075284221	/nfs/dbraw/zinc/28/42/21/1075284221.db2.gz	CHCNGAXFRSBNOO-GOSISDBHSA-N	1	1	423.579	1.896	20	0		HDADMO
O=S(=O)(c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1)N1CCCC1	ZINC000498909045	1075284254	/nfs/dbraw/zinc/28/42/54/1075284254.db2.gz	GIAPSBPTMUMBRD-UHFFFAOYSA-N	1	1	403.508	1.710	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429381984	1075287102	/nfs/dbraw/zinc/28/71/02/1075287102.db2.gz	OCFGMPCLVAOIBM-SJORKVTESA-N	1	1	422.595	1.187	20	0		HDADMO
O=C(C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2)NC1CCCC1	ZINC001035207675	1075287381	/nfs/dbraw/zinc/28/73/81/1075287381.db2.gz	BALMRCVIQIAIPA-IYWGDAJJSA-N	1	1	401.551	1.783	20	0		HDADMO
Cc1cc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(Cl)c1	ZINC000675937436	1075298597	/nfs/dbraw/zinc/29/85/97/1075298597.db2.gz	STWFKLWAPHIHSE-INIZCTEOSA-N	1	1	406.914	1.660	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nc1	ZINC000548116944	1075302638	/nfs/dbraw/zinc/30/26/38/1075302638.db2.gz	NZTWZAFETOHBSH-BGYRXZFFSA-N	1	1	402.587	2.392	20	0		HDADMO
OC[C@@H](CNc1cc(NC[C@@H](CO)[C@H]2CCOC2)[nH+]c2cnccc12)[C@H]1CCOC1	ZINC000557662499	1075303802	/nfs/dbraw/zinc/30/38/02/1075303802.db2.gz	JJGPDMOOKXESHT-FJIDUMEYSA-N	1	1	416.522	1.744	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731294797	1075304391	/nfs/dbraw/zinc/30/43/91/1075304391.db2.gz	OQPMCEWVNWJCNK-GOEBONIOSA-N	1	1	415.494	1.859	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC1	ZINC000731354685	1075317984	/nfs/dbraw/zinc/31/79/84/1075317984.db2.gz	RVZDFYLLZAHAAO-UHFFFAOYSA-N	1	1	408.543	1.448	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1	ZINC000675996480	1075320121	/nfs/dbraw/zinc/32/01/21/1075320121.db2.gz	FSPSIXZCUZPTND-VQTJNVASSA-N	1	1	410.522	1.572	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3c(C=O)n[nH]c3c2)C1	ZINC000766191006	1075324380	/nfs/dbraw/zinc/32/43/80/1075324380.db2.gz	XIWQBDQFWUSCIR-HNNXBMFYSA-N	1	1	402.451	1.005	20	0		HDADMO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3c(C=O)[nH]nc3c2)C1	ZINC000766191006	1075324386	/nfs/dbraw/zinc/32/43/86/1075324386.db2.gz	XIWQBDQFWUSCIR-HNNXBMFYSA-N	1	1	402.451	1.005	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3c(C=O)[nH]nc3c2)C1	ZINC000766191006	1075324390	/nfs/dbraw/zinc/32/43/90/1075324390.db2.gz	XIWQBDQFWUSCIR-HNNXBMFYSA-N	1	1	402.451	1.005	20	0		HDADMO
COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCCOc3cccnc3)CC2)cc1	ZINC000804075768	1075335147	/nfs/dbraw/zinc/33/51/47/1075335147.db2.gz	HOYGAFSUMYHEQC-UHFFFAOYSA-N	1	1	412.490	1.320	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCCOc3cccnc3)CC2)cc1	ZINC000804075768	1075335155	/nfs/dbraw/zinc/33/51/55/1075335155.db2.gz	HOYGAFSUMYHEQC-UHFFFAOYSA-N	1	1	412.490	1.320	20	0		HDADMO
CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1	ZINC000676075732	1075343517	/nfs/dbraw/zinc/34/35/17/1075343517.db2.gz	PFBLRQJAZQNPCM-FHWLQOOXSA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1	ZINC000676075732	1075343520	/nfs/dbraw/zinc/34/35/20/1075343520.db2.gz	PFBLRQJAZQNPCM-FHWLQOOXSA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1	ZINC000676075732	1075343523	/nfs/dbraw/zinc/34/35/23/1075343523.db2.gz	PFBLRQJAZQNPCM-FHWLQOOXSA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1	ZINC000676075735	1075343819	/nfs/dbraw/zinc/34/38/19/1075343819.db2.gz	PFBLRQJAZQNPCM-QYZOEREBSA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1	ZINC000676075735	1075343825	/nfs/dbraw/zinc/34/38/25/1075343825.db2.gz	PFBLRQJAZQNPCM-QYZOEREBSA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1	ZINC000676075735	1075343832	/nfs/dbraw/zinc/34/38/32/1075343832.db2.gz	PFBLRQJAZQNPCM-QYZOEREBSA-N	1	1	404.621	1.374	20	0		HDADMO
CCO[C@@H]1C[C@H](Nc2nc(N[C@@H]3C[C@H](OCC)[C@@H]3OC)[nH+]c3c2SCC3)[C@H]1OC	ZINC000579575085	1075355399	/nfs/dbraw/zinc/35/53/99/1075355399.db2.gz	OCHSGDLUBJVDTB-JXMXSTLTSA-N	1	1	424.567	2.333	20	0		HDADMO
CNC(=O)c1ccc(CNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)cc1	ZINC000731460147	1075355691	/nfs/dbraw/zinc/35/56/91/1075355691.db2.gz	PDJZPKBRMXOQOE-UHFFFAOYSA-N	1	1	418.501	1.853	20	0		HDADMO
O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000676095120	1075357922	/nfs/dbraw/zinc/35/79/22/1075357922.db2.gz	GVEMFMUFFULAFF-ZDUSSCGKSA-N	1	1	422.411	1.825	20	0		HDADMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000429396580	1075359564	/nfs/dbraw/zinc/35/95/64/1075359564.db2.gz	CDDFPLJEOCHGEN-HDICACEKSA-N	1	1	416.570	1.483	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccc4F)c3)CC2)C1	ZINC000676096200	1075360568	/nfs/dbraw/zinc/36/05/68/1075360568.db2.gz	JKVKUCZZBYOZDF-KRWDZBQOSA-N	1	1	414.485	1.188	20	0		HDADMO
CCOc1ccc(NC(=O)CC[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1	ZINC000484997924	1075370879	/nfs/dbraw/zinc/37/08/79/1075370879.db2.gz	OPBIYWUOBWECNK-UHFFFAOYSA-N	1	1	415.494	1.967	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1	ZINC000804087441	1075377926	/nfs/dbraw/zinc/37/79/26/1075377926.db2.gz	JLHMAKKSYMQTGD-GVDBMIGSSA-N	1	1	408.543	1.539	20	0		HDADMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804087317	1075378291	/nfs/dbraw/zinc/37/82/91/1075378291.db2.gz	FXGIQWBCIJJPSO-BBWFWOEESA-N	1	1	410.559	1.739	20	0		HDADMO
COCC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1	ZINC000429397227	1075378380	/nfs/dbraw/zinc/37/83/80/1075378380.db2.gz	YTMTYEBDNJGIKA-OAHLLOKOSA-N	1	1	414.428	1.784	20	0		HDADMO
CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)C2=O	ZINC000676113479	1075386737	/nfs/dbraw/zinc/38/67/37/1075386737.db2.gz	SFTJFGWEROMSIA-HTAPYJJXSA-N	1	1	420.554	1.591	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCSC[C@H]3CCO)cc2)CC1	ZINC000676127396	1075388360	/nfs/dbraw/zinc/38/83/60/1075388360.db2.gz	WVMWWQLHXRTTPM-GOSISDBHSA-N	1	1	406.552	1.796	20	0		HDADMO
S=C(NCCC[NH+]1CCOCC1)N1CCC(n2cc(Br)cn2)CC1	ZINC000731568747	1075390806	/nfs/dbraw/zinc/39/08/06/1075390806.db2.gz	GULNINRMSCQMNA-UHFFFAOYSA-N	1	1	416.389	1.879	20	0		HDADMO
O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000676131691	1075391131	/nfs/dbraw/zinc/39/11/31/1075391131.db2.gz	UBFQYYWWJCTNAB-GHTZIAJQSA-N	1	1	408.502	1.977	20	0		HDADMO
O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000676131693	1075391205	/nfs/dbraw/zinc/39/12/05/1075391205.db2.gz	UBFQYYWWJCTNAB-RXVVDRJESA-N	1	1	408.502	1.977	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c2cccs2)CC1	ZINC000676136723	1075393893	/nfs/dbraw/zinc/39/38/93/1075393893.db2.gz	FONPXDOYCCFXCD-IXDOHACOSA-N	1	1	405.568	1.489	20	0		HDADMO
CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1Cl	ZINC000676135100	1075393947	/nfs/dbraw/zinc/39/39/47/1075393947.db2.gz	UZVOZOWFAXEXSD-HNNXBMFYSA-N	1	1	421.929	1.764	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1	ZINC000676123938	1075395111	/nfs/dbraw/zinc/39/51/11/1075395111.db2.gz	DJNCWDQSVQSJPQ-PZJWPPBQSA-N	1	1	410.518	1.980	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)n2)cc1	ZINC000441503146	1075395924	/nfs/dbraw/zinc/39/59/24/1075395924.db2.gz	SODWIFJEVGZHGX-IEBWSBKVSA-N	1	1	411.506	1.821	20	0		HDADMO
O=C(NCc1nnnn1-c1ccccc1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676151347	1075401537	/nfs/dbraw/zinc/40/15/37/1075401537.db2.gz	LFQBCLDYKWNBRQ-ICSRJNTNSA-N	1	1	421.505	1.345	20	0		HDADMO
Cc1nc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)nn1-c1ccccc1	ZINC000731602689	1075408962	/nfs/dbraw/zinc/40/89/62/1075408962.db2.gz	JLRMDEBZLVBCBJ-UHFFFAOYSA-N	1	1	406.494	1.308	20	0		HDADMO
Cc1c(C(=O)N2CCC(OCCCO)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676174718	1075412105	/nfs/dbraw/zinc/41/21/05/1075412105.db2.gz	BJEFLZDLMIYMSE-UHFFFAOYSA-N	1	1	413.522	1.567	20	0		HDADMO
CCOc1ccnc(N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)CC2)n1	ZINC000676194130	1075431534	/nfs/dbraw/zinc/43/15/34/1075431534.db2.gz	IMRNXEDIQXHMIK-IBGZPJMESA-N	1	1	410.522	1.974	20	0		HDADMO
CCOc1ccnc(N2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)CC2)n1	ZINC000676194130	1075431537	/nfs/dbraw/zinc/43/15/37/1075431537.db2.gz	IMRNXEDIQXHMIK-IBGZPJMESA-N	1	1	410.522	1.974	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676241339	1075443596	/nfs/dbraw/zinc/44/35/96/1075443596.db2.gz	AGRLBAYIDVGGNP-YJBOKZPZSA-N	1	1	412.556	1.235	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676241339	1075443600	/nfs/dbraw/zinc/44/36/00/1075443600.db2.gz	AGRLBAYIDVGGNP-YJBOKZPZSA-N	1	1	412.556	1.235	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000441587256	1075443731	/nfs/dbraw/zinc/44/37/31/1075443731.db2.gz	PUABZXQEEILBAS-UHFFFAOYSA-N	1	1	419.570	2.452	20	0		HDADMO
C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676243206	1075445304	/nfs/dbraw/zinc/44/53/04/1075445304.db2.gz	FJLHUUMUKYYUON-VQIMIIECSA-N	1	1	424.567	1.106	20	0		HDADMO
C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676243206	1075445310	/nfs/dbraw/zinc/44/53/10/1075445310.db2.gz	FJLHUUMUKYYUON-VQIMIIECSA-N	1	1	424.567	1.106	20	0		HDADMO
C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676244564	1075447005	/nfs/dbraw/zinc/44/70/05/1075447005.db2.gz	VUSMDUJZIIUXBJ-APWZRJJASA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244564	1075447008	/nfs/dbraw/zinc/44/70/08/1075447008.db2.gz	VUSMDUJZIIUXBJ-APWZRJJASA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@H+](C2CCC2)C1	ZINC000429408476	1075448315	/nfs/dbraw/zinc/44/83/15/1075448315.db2.gz	WSYLXDYBIWDHFF-OAHLLOKOSA-N	1	1	406.552	1.029	20	0		HDADMO
C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1	ZINC000676248081	1075448490	/nfs/dbraw/zinc/44/84/90/1075448490.db2.gz	MEUKJXVHPXQXHE-VKJFTORMSA-N	1	1	417.510	1.111	20	0		HDADMO
C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248081	1075448494	/nfs/dbraw/zinc/44/84/94/1075448494.db2.gz	MEUKJXVHPXQXHE-VKJFTORMSA-N	1	1	417.510	1.111	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257218	1075452114	/nfs/dbraw/zinc/45/21/14/1075452114.db2.gz	QQUGSLFZFLZUPU-JTDSTZFVSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257218	1075452117	/nfs/dbraw/zinc/45/21/17/1075452117.db2.gz	QQUGSLFZFLZUPU-JTDSTZFVSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259089	1075453790	/nfs/dbraw/zinc/45/37/90/1075453790.db2.gz	HFURTHNOHBKNSV-XEZPLFJOSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259089	1075453793	/nfs/dbraw/zinc/45/37/93/1075453793.db2.gz	HFURTHNOHBKNSV-XEZPLFJOSA-N	1	1	410.312	1.637	20	0		HDADMO
Cc1cc(N2C[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2=O)ccc1Br	ZINC000676258791	1075454894	/nfs/dbraw/zinc/45/48/94/1075454894.db2.gz	DNYAJHZNVAQNMA-VBQJREDUSA-N	1	1	424.339	1.946	20	0		HDADMO
Cc1cc(N2C[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2=O)ccc1Br	ZINC000676258791	1075454896	/nfs/dbraw/zinc/45/48/96/1075454896.db2.gz	DNYAJHZNVAQNMA-VBQJREDUSA-N	1	1	424.339	1.946	20	0		HDADMO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676258880	1075455407	/nfs/dbraw/zinc/45/54/07/1075455407.db2.gz	OOGOIFPJCYGEIM-SMDDNHRTSA-N	1	1	414.432	1.528	20	0		HDADMO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676258880	1075455414	/nfs/dbraw/zinc/45/54/14/1075455414.db2.gz	OOGOIFPJCYGEIM-SMDDNHRTSA-N	1	1	414.432	1.528	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676260474	1075458813	/nfs/dbraw/zinc/45/88/13/1075458813.db2.gz	KGGLPKVONFICJM-IERDGZPVSA-N	1	1	421.497	1.974	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260474	1075458815	/nfs/dbraw/zinc/45/88/15/1075458815.db2.gz	KGGLPKVONFICJM-IERDGZPVSA-N	1	1	421.497	1.974	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676261983	1075459256	/nfs/dbraw/zinc/45/92/56/1075459256.db2.gz	SXKGXIPJSNWRDU-VQIMIIECSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676261983	1075459259	/nfs/dbraw/zinc/45/92/59/1075459259.db2.gz	SXKGXIPJSNWRDU-VQIMIIECSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1CN(C)CCO1	ZINC000676262272	1075461745	/nfs/dbraw/zinc/46/17/45/1075461745.db2.gz	BUGRVMKSVKUMSV-UWJYYQICSA-N	1	1	415.538	1.814	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCS(=O)(=O)NCC2CCC2)cn1	ZINC000731681242	1075464290	/nfs/dbraw/zinc/46/42/90/1075464290.db2.gz	OQFSKTIHMHDBAD-UHFFFAOYSA-N	1	1	406.512	1.094	20	0		HDADMO
Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1C	ZINC000676249024	1075465468	/nfs/dbraw/zinc/46/54/68/1075465468.db2.gz	ZSFGAOXFLTUFHM-UYAOXDASSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1C	ZINC000676249024	1075465471	/nfs/dbraw/zinc/46/54/71/1075465471.db2.gz	ZSFGAOXFLTUFHM-UYAOXDASSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1Br	ZINC000676249245	1075466109	/nfs/dbraw/zinc/46/61/09/1075466109.db2.gz	MTXYXRNWWPNKCW-SWLSCSKDSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1cc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1Br	ZINC000676249245	1075466112	/nfs/dbraw/zinc/46/61/12/1075466112.db2.gz	MTXYXRNWWPNKCW-SWLSCSKDSA-N	1	1	413.316	1.714	20	0		HDADMO
COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676249989	1075466586	/nfs/dbraw/zinc/46/65/86/1075466586.db2.gz	KFQVSHJYCGTJBH-OXJNMPFZSA-N	1	1	406.527	1.645	20	0		HDADMO
COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676249989	1075466592	/nfs/dbraw/zinc/46/65/92/1075466592.db2.gz	KFQVSHJYCGTJBH-OXJNMPFZSA-N	1	1	406.527	1.645	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676251567	1075469058	/nfs/dbraw/zinc/46/90/58/1075469058.db2.gz	NKMODCGUUGBYNM-DOMZBBRYSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251567	1075469060	/nfs/dbraw/zinc/46/90/60/1075469060.db2.gz	NKMODCGUUGBYNM-DOMZBBRYSA-N	1	1	413.316	1.714	20	0		HDADMO
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676251586	1075469468	/nfs/dbraw/zinc/46/94/68/1075469468.db2.gz	QXODVVKNPZOJSK-KXBFYZLASA-N	1	1	404.511	1.774	20	0		HDADMO
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676251586	1075469477	/nfs/dbraw/zinc/46/94/77/1075469477.db2.gz	QXODVVKNPZOJSK-KXBFYZLASA-N	1	1	404.511	1.774	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251446	1075469624	/nfs/dbraw/zinc/46/96/24/1075469624.db2.gz	MRJKFUOFSSCKGL-JXFKEZNVSA-N	1	1	400.523	1.716	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251446	1075469629	/nfs/dbraw/zinc/46/96/29/1075469629.db2.gz	MRJKFUOFSSCKGL-JXFKEZNVSA-N	1	1	400.523	1.716	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252250	1075469642	/nfs/dbraw/zinc/46/96/42/1075469642.db2.gz	QSRFOZMOOUPHEN-YJBOKZPZSA-N	1	1	408.568	1.548	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252250	1075469649	/nfs/dbraw/zinc/46/96/49/1075469649.db2.gz	QSRFOZMOOUPHEN-YJBOKZPZSA-N	1	1	408.568	1.548	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676253200	1075471103	/nfs/dbraw/zinc/47/11/03/1075471103.db2.gz	ZELHGYDCSLWWKF-OXQOHEQNSA-N	1	1	404.511	1.004	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676253200	1075471107	/nfs/dbraw/zinc/47/11/07/1075471107.db2.gz	ZELHGYDCSLWWKF-OXQOHEQNSA-N	1	1	404.511	1.004	20	0		HDADMO
C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1	ZINC000547274434	1075471161	/nfs/dbraw/zinc/47/11/61/1075471161.db2.gz	XVOXAJQMUMCCBT-MAUKXSAKSA-N	1	1	410.312	1.237	20	0		HDADMO
COc1ccc(OC)c(CN2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676253297	1075471641	/nfs/dbraw/zinc/47/16/41/1075471641.db2.gz	VOGXCYUKGFKGMQ-JXFKEZNVSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1ccc(OC)c(CN2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676253297	1075471643	/nfs/dbraw/zinc/47/16/43/1075471643.db2.gz	VOGXCYUKGFKGMQ-JXFKEZNVSA-N	1	1	406.527	1.250	20	0		HDADMO
CC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C	ZINC000676253319	1075471711	/nfs/dbraw/zinc/47/17/11/1075471711.db2.gz	VVGTYHVDGULDNL-IEZWGBDMSA-N	1	1	406.527	1.623	20	0		HDADMO
CC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C	ZINC000676253319	1075471713	/nfs/dbraw/zinc/47/17/13/1075471713.db2.gz	VVGTYHVDGULDNL-IEZWGBDMSA-N	1	1	406.527	1.623	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1=O	ZINC000731689658	1075472719	/nfs/dbraw/zinc/47/27/19/1075472719.db2.gz	OCJYPYWCMZJEFW-KZNAEPCWSA-N	1	1	422.570	1.787	20	0		HDADMO
COC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1	ZINC000429414986	1075476927	/nfs/dbraw/zinc/47/69/27/1075476927.db2.gz	GYYWIWCXEOVHLJ-ZDUSSCGKSA-N	1	1	402.900	1.469	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676277741	1075476976	/nfs/dbraw/zinc/47/69/76/1075476976.db2.gz	AHKANRNSGUXLIN-CZUORRHYSA-N	1	1	416.503	1.774	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277741	1075476978	/nfs/dbraw/zinc/47/69/78/1075476978.db2.gz	AHKANRNSGUXLIN-CZUORRHYSA-N	1	1	416.503	1.774	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277739	1075477005	/nfs/dbraw/zinc/47/70/05/1075477005.db2.gz	AHKANRNSGUXLIN-BBRMVZONSA-N	1	1	416.503	1.774	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277739	1075477007	/nfs/dbraw/zinc/47/70/07/1075477007.db2.gz	AHKANRNSGUXLIN-BBRMVZONSA-N	1	1	416.503	1.774	20	0		HDADMO
CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676277647	1075477997	/nfs/dbraw/zinc/47/79/97/1075477997.db2.gz	BSKJLVINCPQSLC-SUMWQHHRSA-N	1	1	424.929	1.500	20	0		HDADMO
CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676277647	1075478001	/nfs/dbraw/zinc/47/80/01/1075478001.db2.gz	BSKJLVINCPQSLC-SUMWQHHRSA-N	1	1	424.929	1.500	20	0		HDADMO
Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)Nc1ccn(C)n1	ZINC000448539506	1075480135	/nfs/dbraw/zinc/48/01/35/1075480135.db2.gz	VMOQNSDERKUJSP-KRWDZBQOSA-N	1	1	407.478	1.949	20	0		HDADMO
Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1C(=O)N1CCCC1	ZINC000676279268	1075481450	/nfs/dbraw/zinc/48/14/50/1075481450.db2.gz	BRSRFBCUTRONTH-WBVHZDCISA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C(=O)N1CCCC1	ZINC000676279268	1075481456	/nfs/dbraw/zinc/48/14/56/1075481456.db2.gz	BRSRFBCUTRONTH-WBVHZDCISA-N	1	1	402.495	1.005	20	0		HDADMO
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676279939	1075482127	/nfs/dbraw/zinc/48/21/27/1075482127.db2.gz	RDBNCWPKDJHLER-MLGOLLRUSA-N	1	1	410.902	1.252	20	0		HDADMO
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676279939	1075482130	/nfs/dbraw/zinc/48/21/30/1075482130.db2.gz	RDBNCWPKDJHLER-MLGOLLRUSA-N	1	1	410.902	1.252	20	0		HDADMO
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676279705	1075483315	/nfs/dbraw/zinc/48/33/15/1075483315.db2.gz	QIPWSWRYAHZCAO-RHSMWYFYSA-N	1	1	404.511	1.753	20	0		HDADMO
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676279705	1075483316	/nfs/dbraw/zinc/48/33/16/1075483316.db2.gz	QIPWSWRYAHZCAO-RHSMWYFYSA-N	1	1	404.511	1.753	20	0		HDADMO
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676279494	1075483803	/nfs/dbraw/zinc/48/38/03/1075483803.db2.gz	OLNRSTMJDRSZTQ-DYVFJYSZSA-N	1	1	424.929	1.594	20	0		HDADMO
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676279494	1075483809	/nfs/dbraw/zinc/48/38/09/1075483809.db2.gz	OLNRSTMJDRSZTQ-DYVFJYSZSA-N	1	1	424.929	1.594	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12)[C@H]1C[N@H+](C)CCO1	ZINC000676279624	1075483932	/nfs/dbraw/zinc/48/39/32/1075483932.db2.gz	DXGJUTIFUIBJNF-IAQYHMDHSA-N	1	1	408.405	1.610	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12)[C@H]1C[N@@H+](C)CCO1	ZINC000676279624	1075483937	/nfs/dbraw/zinc/48/39/37/1075483937.db2.gz	DXGJUTIFUIBJNF-IAQYHMDHSA-N	1	1	408.405	1.610	20	0		HDADMO
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676279496	1075484038	/nfs/dbraw/zinc/48/40/38/1075484038.db2.gz	OLNRSTMJDRSZTQ-SUMWQHHRSA-N	1	1	424.929	1.594	20	0		HDADMO
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676279496	1075484041	/nfs/dbraw/zinc/48/40/41/1075484041.db2.gz	OLNRSTMJDRSZTQ-SUMWQHHRSA-N	1	1	424.929	1.594	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676281158	1075485054	/nfs/dbraw/zinc/48/50/54/1075485054.db2.gz	XNGPAFUVVUZHJK-SUMWQHHRSA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281158	1075485058	/nfs/dbraw/zinc/48/50/58/1075485058.db2.gz	XNGPAFUVVUZHJK-SUMWQHHRSA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280350	1075487121	/nfs/dbraw/zinc/48/71/21/1075487121.db2.gz	RXLDCSWZAAYRBZ-ZBEGNZNMSA-N	1	1	417.441	1.527	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280350	1075487125	/nfs/dbraw/zinc/48/71/25/1075487125.db2.gz	RXLDCSWZAAYRBZ-ZBEGNZNMSA-N	1	1	417.441	1.527	20	0		HDADMO
COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676282031	1075487801	/nfs/dbraw/zinc/48/78/01/1075487801.db2.gz	PZHPLUGMADTGCT-RISCZKNCSA-N	1	1	414.300	1.540	20	0		HDADMO
COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282031	1075487804	/nfs/dbraw/zinc/48/78/04/1075487804.db2.gz	PZHPLUGMADTGCT-RISCZKNCSA-N	1	1	414.300	1.540	20	0		HDADMO
COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676282258	1075489509	/nfs/dbraw/zinc/48/95/09/1075489509.db2.gz	ZSVPYBVHXIZILW-YGRLFVJLSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676282258	1075489513	/nfs/dbraw/zinc/48/95/13/1075489513.db2.gz	ZSVPYBVHXIZILW-YGRLFVJLSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@H]1C[N@H+](C)CCO1	ZINC000676282787	1075489653	/nfs/dbraw/zinc/48/96/53/1075489653.db2.gz	VQANURXLKJBNHN-DHSIGJKJSA-N	1	1	409.458	1.157	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@H]1C[N@@H+](C)CCO1	ZINC000676282787	1075489657	/nfs/dbraw/zinc/48/96/57/1075489657.db2.gz	VQANURXLKJBNHN-DHSIGJKJSA-N	1	1	409.458	1.157	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676282683	1075490082	/nfs/dbraw/zinc/49/00/82/1075490082.db2.gz	UFWQFBNTJJPGIS-APWZRJJASA-N	1	1	416.522	1.015	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282683	1075490086	/nfs/dbraw/zinc/49/00/86/1075490086.db2.gz	UFWQFBNTJJPGIS-APWZRJJASA-N	1	1	416.522	1.015	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676283424	1075490362	/nfs/dbraw/zinc/49/03/62/1075490362.db2.gz	ZBEPMGHNPAZLIG-BZNIZROVSA-N	1	1	408.886	1.006	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676283424	1075490364	/nfs/dbraw/zinc/49/03/64/1075490364.db2.gz	ZBEPMGHNPAZLIG-BZNIZROVSA-N	1	1	408.886	1.006	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CS[C@@H]1CCS(=O)(=O)C1	ZINC000711753904	1075491502	/nfs/dbraw/zinc/49/15/02/1075491502.db2.gz	AELRACZNDQWOCR-MJGOQNOKSA-N	1	1	412.577	1.002	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1	ZINC000676288988	1075492332	/nfs/dbraw/zinc/49/23/32/1075492332.db2.gz	HWZBRGIOMUCGBB-LJQANCHMSA-N	1	1	415.582	1.976	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676289344	1075494958	/nfs/dbraw/zinc/49/49/58/1075494958.db2.gz	FPHLTWHYSHCMBZ-DNVCBOLYSA-N	1	1	421.519	1.515	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676289344	1075494961	/nfs/dbraw/zinc/49/49/61/1075494961.db2.gz	FPHLTWHYSHCMBZ-DNVCBOLYSA-N	1	1	421.519	1.515	20	0		HDADMO
C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1C[N@H+](C)CCO1	ZINC000676290430	1075495594	/nfs/dbraw/zinc/49/55/94/1075495594.db2.gz	OCLXUWRMYPXBGH-QWRGUYRKSA-N	1	1	404.330	1.418	20	0		HDADMO
C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676290430	1075495597	/nfs/dbraw/zinc/49/55/97/1075495597.db2.gz	OCLXUWRMYPXBGH-QWRGUYRKSA-N	1	1	404.330	1.418	20	0		HDADMO
CCC[C@H](NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)N1CCc2sccc2C1	ZINC000676292685	1075497080	/nfs/dbraw/zinc/49/70/80/1075497080.db2.gz	NLHQAJVQJXAKGX-HYVNUMGLSA-N	1	1	408.568	1.820	20	0		HDADMO
CCC[C@H](NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)N1CCc2sccc2C1	ZINC000676292685	1075497083	/nfs/dbraw/zinc/49/70/83/1075497083.db2.gz	NLHQAJVQJXAKGX-HYVNUMGLSA-N	1	1	408.568	1.820	20	0		HDADMO
CC(C)Cc1nnc(NC(=O)CCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)s1	ZINC000676296159	1075498388	/nfs/dbraw/zinc/49/83/88/1075498388.db2.gz	XXSCKDKFELAJRZ-HNNXBMFYSA-N	1	1	409.556	1.779	20	0		HDADMO
Cc1n[nH]cc1-c1nnc(NC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1	ZINC000445007989	1075502188	/nfs/dbraw/zinc/50/21/88/1075502188.db2.gz	AZIOYMNPBVPCMF-UHFFFAOYSA-N	1	1	418.571	2.259	20	0		HDADMO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676303597	1075502273	/nfs/dbraw/zinc/50/22/73/1075502273.db2.gz	FHZYZKOUBJAXHV-QWFCFKBJSA-N	1	1	418.538	1.335	20	0		HDADMO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676303597	1075502275	/nfs/dbraw/zinc/50/22/75/1075502275.db2.gz	FHZYZKOUBJAXHV-QWFCFKBJSA-N	1	1	418.538	1.335	20	0		HDADMO
CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000556683378	1075505570	/nfs/dbraw/zinc/50/55/70/1075505570.db2.gz	VUWBXBTUBPNXQN-AWEZNQCLSA-N	1	1	420.311	2.126	20	0		HDADMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000556683378	1075505575	/nfs/dbraw/zinc/50/55/75/1075505575.db2.gz	VUWBXBTUBPNXQN-AWEZNQCLSA-N	1	1	420.311	2.126	20	0		HDADMO
Cc1csc(=O)n1CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035754088	1075505990	/nfs/dbraw/zinc/50/59/90/1075505990.db2.gz	DQQFNLSWOCHBED-WKULXVSPSA-N	1	1	403.548	1.566	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000731757381	1075512885	/nfs/dbraw/zinc/51/28/85/1075512885.db2.gz	DQQUDYFWAJVQNT-MRXNPFEDSA-N	1	1	411.547	1.238	20	0		HDADMO
CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1	ZINC000731761561	1075514950	/nfs/dbraw/zinc/51/49/50/1075514950.db2.gz	RGGPSTQOUPXWDC-UHFFFAOYSA-N	1	1	402.605	1.257	20	0		HDADMO
O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1O	ZINC000676341641	1075515125	/nfs/dbraw/zinc/51/51/25/1075515125.db2.gz	BRFVIJZBMQEMIQ-INIZCTEOSA-N	1	1	423.535	1.160	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000731761774	1075516705	/nfs/dbraw/zinc/51/67/05/1075516705.db2.gz	CVBCDQWXYPJVPE-HNNXBMFYSA-N	1	1	411.547	1.095	20	0		HDADMO
C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676332209	1075521327	/nfs/dbraw/zinc/52/13/27/1075521327.db2.gz	JLDHWWSXOHOSQR-NDXORKPFSA-N	1	1	421.497	1.729	20	0		HDADMO
C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332209	1075521330	/nfs/dbraw/zinc/52/13/30/1075521330.db2.gz	JLDHWWSXOHOSQR-NDXORKPFSA-N	1	1	421.497	1.729	20	0		HDADMO
O=C(CCN1C(=O)c2ccccc2C1=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000509405661	1075521883	/nfs/dbraw/zinc/52/18/83/1075521883.db2.gz	IZHAPVNFQGWHLQ-UHFFFAOYSA-N	1	1	424.476	1.750	20	0		HDADMO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676333181	1075522055	/nfs/dbraw/zinc/52/20/55/1075522055.db2.gz	XXTHMIXCUPNLSJ-XCRHUMRWSA-N	1	1	409.914	1.789	20	0		HDADMO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676333181	1075522059	/nfs/dbraw/zinc/52/20/59/1075522059.db2.gz	XXTHMIXCUPNLSJ-XCRHUMRWSA-N	1	1	409.914	1.789	20	0		HDADMO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676333178	1075522088	/nfs/dbraw/zinc/52/20/88/1075522088.db2.gz	XXTHMIXCUPNLSJ-FDQGKXFDSA-N	1	1	409.914	1.789	20	0		HDADMO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676333178	1075522092	/nfs/dbraw/zinc/52/20/92/1075522092.db2.gz	XXTHMIXCUPNLSJ-FDQGKXFDSA-N	1	1	409.914	1.789	20	0		HDADMO
CC(=O)NC1(c2noc(CCC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)n2)CCCCCC1	ZINC000676333125	1075522215	/nfs/dbraw/zinc/52/22/15/1075522215.db2.gz	KEPRDXACYDRCIS-NVXWUHKLSA-N	1	1	421.542	1.523	20	0		HDADMO
CC(=O)NC1(c2noc(CCC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)n2)CCCCCC1	ZINC000676333125	1075522229	/nfs/dbraw/zinc/52/22/29/1075522229.db2.gz	KEPRDXACYDRCIS-NVXWUHKLSA-N	1	1	421.542	1.523	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc(C3CC3)nc21	ZINC000676332880	1075522743	/nfs/dbraw/zinc/52/27/43/1075522743.db2.gz	UMTYVXCEYKRSIA-WBMJQRKESA-N	1	1	415.494	1.233	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc(C3CC3)nc21	ZINC000676332880	1075522747	/nfs/dbraw/zinc/52/27/47/1075522747.db2.gz	UMTYVXCEYKRSIA-WBMJQRKESA-N	1	1	415.494	1.233	20	0		HDADMO
O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000731808576	1075527009	/nfs/dbraw/zinc/52/70/09/1075527009.db2.gz	AUOSTYUCJLBEGU-DLBZAZTESA-N	1	1	411.499	1.203	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000676360213	1075532472	/nfs/dbraw/zinc/53/24/72/1075532472.db2.gz	QNHYRLJJWRCMPY-HOCLYGCPSA-N	1	1	415.494	1.528	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000676360214	1075532479	/nfs/dbraw/zinc/53/24/79/1075532479.db2.gz	QNHYRLJJWRCMPY-ZBFHGGJFSA-N	1	1	415.494	1.528	20	0		HDADMO
Cc1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cnn1-c1cc(C)ccc1C	ZINC000676426247	1075546475	/nfs/dbraw/zinc/54/64/75/1075546475.db2.gz	HVNWNTZCELHQRA-FQEVSTJZSA-N	1	1	411.550	1.934	20	0		HDADMO
Cc1cccc(OCCCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1	ZINC000731842447	1075546576	/nfs/dbraw/zinc/54/65/76/1075546576.db2.gz	JUIFKCHZFZJKDB-FQEVSTJZSA-N	1	1	403.523	1.593	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cccc(N2CCOC2=O)c1	ZINC000731842077	1075547005	/nfs/dbraw/zinc/54/70/05/1075547005.db2.gz	DEPWWAZLBGDJAK-SFHVURJKSA-N	1	1	416.478	1.295	20	0		HDADMO
O=C(N1CCO[C@@H](c2nn[nH]n2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000731880613	1075550748	/nfs/dbraw/zinc/55/07/48/1075550748.db2.gz	RMHLLDAYRGCYDS-RHSMWYFYSA-N	1	1	410.400	1.554	20	0		HDADMO
O=C(N1CCO[C@@H](c2nn[nH]n2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000731880613	1075550752	/nfs/dbraw/zinc/55/07/52/1075550752.db2.gz	RMHLLDAYRGCYDS-RHSMWYFYSA-N	1	1	410.400	1.554	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCc2cocn2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676453589	1075558859	/nfs/dbraw/zinc/55/88/59/1075558859.db2.gz	YORBGHURAAMRBR-SFHVURJKSA-N	1	1	408.462	1.881	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC2(CO)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676453543	1075559031	/nfs/dbraw/zinc/55/90/31/1075559031.db2.gz	QCBVXEDZLSUSAM-GOSISDBHSA-N	1	1	411.506	1.466	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000731872631	1075560014	/nfs/dbraw/zinc/56/00/14/1075560014.db2.gz	CQNDABBHGFHFKO-CQSZACIVSA-N	1	1	414.959	1.100	20	0		HDADMO
CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NCCCNc2ccc(C)c[nH+]2)cn1	ZINC000486481580	1075561768	/nfs/dbraw/zinc/56/17/68/1075561768.db2.gz	VZWJKJVAJDSYNL-HPGBDJQBSA-N	1	1	404.540	1.924	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1	ZINC000676471176	1075562603	/nfs/dbraw/zinc/56/26/03/1075562603.db2.gz	ASWDPBIUPDVHFL-FQEVSTJZSA-N	1	1	415.534	1.693	20	0		HDADMO
COc1cccc([C@@H](O)C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000731910644	1075567322	/nfs/dbraw/zinc/56/73/22/1075567322.db2.gz	LPXYBFBCHLYGAT-HXUWFJFHSA-N	1	1	420.506	1.423	20	0		HDADMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000509417756	1075574773	/nfs/dbraw/zinc/57/47/73/1075574773.db2.gz	QUSQZRGYRZDZHT-HZPDHXFCSA-N	1	1	408.568	1.241	20	0		HDADMO
C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[N@@H+](C)Cc1ccccc1	ZINC000520340390	1075576237	/nfs/dbraw/zinc/57/62/37/1075576237.db2.gz	DQIKSMKZMUJVIU-SFHVURJKSA-N	1	1	417.579	1.950	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C	ZINC000731967513	1075578647	/nfs/dbraw/zinc/57/86/47/1075578647.db2.gz	XCORKFPHLNIGHI-IBGZPJMESA-N	1	1	402.495	1.605	20	0		HDADMO
CC(C)[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000509419711	1075580103	/nfs/dbraw/zinc/58/01/03/1075580103.db2.gz	CVKAGBQZZMRAKR-UZLBHIALSA-N	1	1	404.559	1.588	20	0		HDADMO
CS(=O)(=O)NC1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1	ZINC000676541879	1075580451	/nfs/dbraw/zinc/58/04/51/1075580451.db2.gz	UUYKNLIRNSYFIF-AEFFLSMTSA-N	1	1	412.600	1.897	20	0		HDADMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000509421686	1075582647	/nfs/dbraw/zinc/58/26/47/1075582647.db2.gz	ZXLBQRZGODORCW-RBUKOAKNSA-N	1	1	400.567	1.751	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C1	ZINC000676551009	1075584370	/nfs/dbraw/zinc/58/43/70/1075584370.db2.gz	GQOWGELSXSOHSO-OAQYLSRUSA-N	1	1	418.501	1.998	20	0		HDADMO
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4[nH+]ccn4C)CC3)ccc21	ZINC000676556337	1075588444	/nfs/dbraw/zinc/58/84/44/1075588444.db2.gz	JSBBMVJKCDLDDJ-UHFFFAOYSA-N	1	1	403.508	1.230	20	0		HDADMO
Cn1c(NCc2ccccc2CS(=O)(=O)N2CCOCC2)[nH+]c2cccc(F)c21	ZINC000443429692	1075593282	/nfs/dbraw/zinc/59/32/82/1075593282.db2.gz	LMIAMRMQWZUVJB-UHFFFAOYSA-N	1	1	418.494	2.487	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1	ZINC000732058137	1075597037	/nfs/dbraw/zinc/59/70/37/1075597037.db2.gz	WLRKFQWLDZGZMM-FARCUNLSSA-N	1	1	411.481	1.532	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1	ZINC000732058169	1075597369	/nfs/dbraw/zinc/59/73/69/1075597369.db2.gz	XMZQWPNCMPYCAR-MZMPXXGTSA-N	1	1	421.545	1.949	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1	ZINC000732058169	1075597373	/nfs/dbraw/zinc/59/73/73/1075597373.db2.gz	XMZQWPNCMPYCAR-MZMPXXGTSA-N	1	1	421.545	1.949	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1	ZINC000732058169	1075597378	/nfs/dbraw/zinc/59/73/78/1075597378.db2.gz	XMZQWPNCMPYCAR-MZMPXXGTSA-N	1	1	421.545	1.949	20	0		HDADMO
CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000732061526	1075598353	/nfs/dbraw/zinc/59/83/53/1075598353.db2.gz	NKXGVZOCAFRICY-ROUUACIJSA-N	1	1	405.543	1.127	20	0		HDADMO
Cn1cc(-c2ccc(NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)nn2)cn1	ZINC000518884573	1075598425	/nfs/dbraw/zinc/59/84/25/1075598425.db2.gz	LXOOZWFPSQSSNZ-UHFFFAOYSA-N	1	1	406.494	1.821	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc2)C1	ZINC000732066135	1075600991	/nfs/dbraw/zinc/60/09/91/1075600991.db2.gz	CQBORCDFSCFCMS-CYBMUJFWSA-N	1	1	416.400	1.611	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)[NH+]2CCCC2)o1	ZINC000804176288	1075603653	/nfs/dbraw/zinc/60/36/53/1075603653.db2.gz	JFBDESQFHZWLHG-SJORKVTESA-N	1	1	405.495	1.643	20	0		HDADMO
CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1OC	ZINC000509423710	1075604389	/nfs/dbraw/zinc/60/43/89/1075604389.db2.gz	XBEFPNRGJDKEFS-LBPRGKRZSA-N	1	1	403.932	1.671	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)[NH+]2CCCC2)o1	ZINC000804178828	1075605134	/nfs/dbraw/zinc/60/51/34/1075605134.db2.gz	QIILBUYQXHQBIN-IRXDYDNUSA-N	1	1	405.495	1.453	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCn2cc[nH+]c2C)cc1	ZINC000676626977	1075623955	/nfs/dbraw/zinc/62/39/55/1075623955.db2.gz	QDANFWALYQFDMF-AWEZNQCLSA-N	1	1	406.508	1.610	20	0		HDADMO
CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000676633399	1075625166	/nfs/dbraw/zinc/62/51/66/1075625166.db2.gz	BODDBDGYARZMGT-CHWSQXEVSA-N	1	1	411.351	1.994	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	ZINC000732115223	1075628213	/nfs/dbraw/zinc/62/82/13/1075628213.db2.gz	ZPTWWALZVYFTQD-UHFFFAOYSA-N	1	1	419.547	1.963	20	0		HDADMO
COc1cccc(N2C[C@H](Nc3nc(N)c4cc(OC)c(OC)cc4[nH+]3)CC2=O)c1	ZINC000599834527	1075634976	/nfs/dbraw/zinc/63/49/76/1075634976.db2.gz	FWRQDGOSVVNAIA-GFCCVEGCSA-N	1	1	409.446	1.877	20	0		HDADMO
COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)c1	ZINC000508545750	1075636614	/nfs/dbraw/zinc/63/66/14/1075636614.db2.gz	QDYXJPMLDNYPRB-HNNXBMFYSA-N	1	1	423.521	1.780	20	0		HDADMO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1	ZINC000676659498	1075640849	/nfs/dbraw/zinc/64/08/49/1075640849.db2.gz	RFPSJUZNZDCVMD-MRXNPFEDSA-N	1	1	419.489	1.943	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000732149002	1075649481	/nfs/dbraw/zinc/64/94/81/1075649481.db2.gz	ADKOYBRSOASTAG-ZDUSSCGKSA-N	1	1	403.552	1.570	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSCc2nc(N)c3ccccc3n2)C1	ZINC000517965316	1075652163	/nfs/dbraw/zinc/65/21/63/1075652163.db2.gz	GZCNADFXGVTEQJ-HNNXBMFYSA-N	1	1	403.552	1.918	20	0		HDADMO
CN(CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732188503	1075654444	/nfs/dbraw/zinc/65/44/44/1075654444.db2.gz	JWBWDQDNEYVGCZ-JTSKRJEESA-N	1	1	414.506	1.784	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCCOC[C@H]2C)C2CCCC2)c(=O)[nH]c1=O	ZINC000676713719	1075658175	/nfs/dbraw/zinc/65/81/75/1075658175.db2.gz	QWKGKSPOZASRMP-OAHLLOKOSA-N	1	1	421.542	1.718	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@H+]2CCCOC[C@H]2C)C2CCCC2)c(=O)[nH]c1=O	ZINC000676713719	1075658177	/nfs/dbraw/zinc/65/81/77/1075658177.db2.gz	QWKGKSPOZASRMP-OAHLLOKOSA-N	1	1	421.542	1.718	20	0		HDADMO
C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676729497	1075662635	/nfs/dbraw/zinc/66/26/35/1075662635.db2.gz	HYOVSYNCBDDFNE-AEFFLSMTSA-N	1	1	400.523	1.140	20	0		HDADMO
NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1	ZINC000732210140	1075667728	/nfs/dbraw/zinc/66/77/28/1075667728.db2.gz	DFSMRGPRAFOLLE-MRXNPFEDSA-N	1	1	408.524	1.140	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CN(C)CCO1	ZINC000676740302	1075672130	/nfs/dbraw/zinc/67/21/30/1075672130.db2.gz	UAPYBBZMRFMFSU-IHPCNDPISA-N	1	1	416.566	1.239	20	0		HDADMO
CC[C@H]1CN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC[N@H+]1Cc1ccccc1	ZINC000546858397	1075676102	/nfs/dbraw/zinc/67/61/02/1075676102.db2.gz	WGVMVTUMVVCAKU-SFHVURJKSA-N	1	1	407.522	1.989	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1	ZINC000732245613	1075679088	/nfs/dbraw/zinc/67/90/88/1075679088.db2.gz	BRZPOHUCYBHNLN-BLLLJJGKSA-N	1	1	417.337	1.913	20	0		HDADMO
C[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@@H+](C)Cc1ccccc1	ZINC000732249561	1075680280	/nfs/dbraw/zinc/68/02/80/1075680280.db2.gz	TUGWYSPRAVENBX-SFHVURJKSA-N	1	1	418.563	1.926	20	0		HDADMO
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)C2Cc3ccccc3C2)C1=O	ZINC000141213117	1075680828	/nfs/dbraw/zinc/68/08/28/1075680828.db2.gz	OVFXIQWFMGFGSA-QHCPKHFHSA-N	1	1	406.486	1.974	20	0		HDADMO
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)C1=O	ZINC000141213117	1075680834	/nfs/dbraw/zinc/68/08/34/1075680834.db2.gz	OVFXIQWFMGFGSA-QHCPKHFHSA-N	1	1	406.486	1.974	20	0		HDADMO
CCCN1C(=O)N(c2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C(=O)[C@@H]1C	ZINC000804205667	1075681211	/nfs/dbraw/zinc/68/12/11/1075681211.db2.gz	OTETXSBBNRIHSB-INIZCTEOSA-N	1	1	401.511	1.464	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1	ZINC000732233218	1075685586	/nfs/dbraw/zinc/68/55/86/1075685586.db2.gz	YGJBAFOFNJKUBI-RTBURBONSA-N	1	1	403.527	1.369	20	0		HDADMO
C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000732275311	1075686789	/nfs/dbraw/zinc/68/67/89/1075686789.db2.gz	IRONKXTUVWJVBR-ROUUACIJSA-N	1	1	422.570	1.789	20	0		HDADMO
C[NH+]1CCN(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1	ZINC000732282016	1075697072	/nfs/dbraw/zinc/69/70/72/1075697072.db2.gz	HDKXNGFHEODWPE-UHFFFAOYSA-N	1	1	418.542	1.325	20	0		HDADMO
CNC(=O)c1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)c1	ZINC001084992978	1075699249	/nfs/dbraw/zinc/69/92/49/1075699249.db2.gz	DEFUKEKWNPKBSL-UBHOZABWSA-N	1	1	409.530	1.892	20	0		HDADMO
CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509437682	1075700062	/nfs/dbraw/zinc/70/00/62/1075700062.db2.gz	KTXBOGWIBDFSCH-ROUUACIJSA-N	1	1	406.596	1.913	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000556208088	1075700130	/nfs/dbraw/zinc/70/01/30/1075700130.db2.gz	QKFQAJMVTVKBEI-UKRRQHHQSA-N	1	1	415.460	1.817	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000732292817	1075700904	/nfs/dbraw/zinc/70/09/04/1075700904.db2.gz	ACWWPAUHEQBOIF-CQSZACIVSA-N	1	1	408.549	1.902	20	0		HDADMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)Nc3nnc(C(C)(C)C)s3)CC2)C[C@H](C)O1	ZINC000588734901	1075701380	/nfs/dbraw/zinc/70/13/80/1075701380.db2.gz	SGHAKRNYIRFPHM-OKILXGFUSA-N	1	1	423.583	2.122	20	0		HDADMO
COc1cc2[nH+]c(NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)nc(N)c2cc1OC	ZINC000521080464	1075702622	/nfs/dbraw/zinc/70/26/22/1075702622.db2.gz	UWJPKQXTTLDUCO-OAQYLSRUSA-N	1	1	422.445	1.318	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@@H](C)O1	ZINC000435002469	1075703009	/nfs/dbraw/zinc/70/30/09/1075703009.db2.gz	DKCGWDGBOGRUHZ-ZACQAIPSSA-N	1	1	418.538	2.545	20	0		HDADMO
COc1cc2[nH+]c(N3CCCN(c4nc(C)ns4)CC3)nc(N)c2cc1OC	ZINC000462946904	1075705213	/nfs/dbraw/zinc/70/52/13/1075705213.db2.gz	LCDHIAAYOJMFTO-UHFFFAOYSA-N	1	1	401.496	2.106	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC001299296841	1075709314	/nfs/dbraw/zinc/70/93/14/1075709314.db2.gz	OFFFPWVEPZDXCL-UHFFFAOYSA-N	1	1	420.583	1.484	20	0		HDADMO
Nc1nccc([C@@H]2CCC[N@H+](CC(=O)NCCc3cnn(-c4ccccc4)c3)C2)n1	ZINC000576959252	1075719752	/nfs/dbraw/zinc/71/97/52/1075719752.db2.gz	AXBDJUBGUJYRDZ-GOSISDBHSA-N	1	1	405.506	1.783	20	0		HDADMO
Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)NCCc3cnn(-c4ccccc4)c3)C2)n1	ZINC000576959252	1075719754	/nfs/dbraw/zinc/71/97/54/1075719754.db2.gz	AXBDJUBGUJYRDZ-GOSISDBHSA-N	1	1	405.506	1.783	20	0		HDADMO
CCCNC(=O)CCC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000732352499	1075720206	/nfs/dbraw/zinc/72/02/06/1075720206.db2.gz	KEVHMWVKEXUQCP-UHFFFAOYSA-N	1	1	403.523	1.879	20	0		HDADMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1	ZINC000522031693	1075721456	/nfs/dbraw/zinc/72/14/56/1075721456.db2.gz	JKMHMRWSAAVHGN-UHFFFAOYSA-N	1	1	420.945	1.806	20	0		HDADMO
CN(CCCN(C)C(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1)CC[NH+](C)C	ZINC000522031693	1075721460	/nfs/dbraw/zinc/72/14/60/1075721460.db2.gz	JKMHMRWSAAVHGN-UHFFFAOYSA-N	1	1	420.945	1.806	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1	ZINC000605931881	1075721684	/nfs/dbraw/zinc/72/16/84/1075721684.db2.gz	DVLKETMDNGYZCD-CALCHBBNSA-N	1	1	420.558	1.620	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@H](C)c1cnn(C)c1	ZINC000509441355	1075722566	/nfs/dbraw/zinc/72/25/66/1075722566.db2.gz	VSYZPDMKOJJZAQ-QZTJIDSGSA-N	1	1	412.538	1.266	20	0		HDADMO
O=C(COC(=O)[C@@H]1CNC(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000732360585	1075723331	/nfs/dbraw/zinc/72/33/31/1075723331.db2.gz	HILNORADLNGZKI-IBGZPJMESA-N	1	1	422.485	1.145	20	0		HDADMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509258569	1075730944	/nfs/dbraw/zinc/73/09/44/1075730944.db2.gz	MXIAWKKWWIJQAT-HZPDHXFCSA-N	1	1	414.597	1.742	20	0		HDADMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509258567	1075731002	/nfs/dbraw/zinc/73/10/02/1075731002.db2.gz	MXIAWKKWWIJQAT-CVEARBPZSA-N	1	1	414.597	1.742	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1	ZINC000732420136	1075733179	/nfs/dbraw/zinc/73/31/79/1075733179.db2.gz	NDOXJPVCZKEENM-UHFFFAOYSA-N	1	1	409.918	1.462	20	0		HDADMO
CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2F)CC1	ZINC000466638327	1075734383	/nfs/dbraw/zinc/73/43/83/1075734383.db2.gz	ZXIAALUJFHMKTN-SFHVURJKSA-N	1	1	406.502	1.368	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCOCC1CC1	ZINC000509442717	1075736768	/nfs/dbraw/zinc/73/67/68/1075736768.db2.gz	SPDCTTCNWNUQSZ-SFHVURJKSA-N	1	1	402.539	1.198	20	0		HDADMO
Cn1nc(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1OC(F)F	ZINC000466639962	1075737687	/nfs/dbraw/zinc/73/76/87/1075737687.db2.gz	CIUXKBLYPAJPDZ-UHFFFAOYSA-N	1	1	407.465	1.911	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@]1(C)CCCS1	ZINC000509443205	1075739083	/nfs/dbraw/zinc/73/90/83/1075739083.db2.gz	YEZMRMKXQGTFQH-UWJYYQICSA-N	1	1	404.580	1.715	20	0		HDADMO
Cc1nc2c(s1)CCC[C@H]2C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000427485992	1075745773	/nfs/dbraw/zinc/74/57/73/1075745773.db2.gz	DVXJXAAWNCTLPK-ZIAGYGMSSA-N	1	1	402.524	1.682	20	0		HDADMO
Cc1nc2c(s1)CCC[C@H]2C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000427485992	1075745777	/nfs/dbraw/zinc/74/57/77/1075745777.db2.gz	DVXJXAAWNCTLPK-ZIAGYGMSSA-N	1	1	402.524	1.682	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)N2CCCC[C@@H]2C2OCCO2)c2cccs2)CC1	ZINC000732443419	1075746275	/nfs/dbraw/zinc/74/62/75/1075746275.db2.gz	XTPCMBDJARNMOI-SJORKVTESA-N	1	1	408.568	1.974	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000620795988	1075752570	/nfs/dbraw/zinc/75/25/70/1075752570.db2.gz	LQQZLZFKQAUKRA-GOSISDBHSA-N	1	1	407.522	1.894	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000497967048	1075754269	/nfs/dbraw/zinc/75/42/69/1075754269.db2.gz	ZATOOUGWPJXUEE-KBXCAEBGSA-N	1	1	407.522	1.893	20	0		HDADMO
CN(C)c1nc(NC[C@H](O)COc2ccc(I)cc2)cc[nH+]1	ZINC000610130132	1075754644	/nfs/dbraw/zinc/75/46/44/1075754644.db2.gz	HKVFALGPDHVJPL-LBPRGKRZSA-N	1	1	414.247	1.999	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H](Cc1ccccc1)CN1CCOCC1	ZINC000732467841	1075755379	/nfs/dbraw/zinc/75/53/79/1075755379.db2.gz	YUURVYZRHDDLRP-QHAWAJNXSA-N	1	1	402.539	1.092	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000732474980	1075756764	/nfs/dbraw/zinc/75/67/64/1075756764.db2.gz	NYFWCGVWSVCPBG-GOEBONIOSA-N	1	1	408.852	1.635	20	0		HDADMO
COCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1	ZINC000732481401	1075759835	/nfs/dbraw/zinc/75/98/35/1075759835.db2.gz	WNOVRNJJFNXIGB-INIZCTEOSA-N	1	1	412.490	1.847	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000608165642	1075760598	/nfs/dbraw/zinc/76/05/98/1075760598.db2.gz	PCSYTXSXUPZREV-SFHVURJKSA-N	1	1	407.522	1.989	20	0		HDADMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000567097723	1075764841	/nfs/dbraw/zinc/76/48/41/1075764841.db2.gz	MJGILXWPGWMQMO-CQSZACIVSA-N	1	1	415.460	1.819	20	0		HDADMO
C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)CC2)CC1	ZINC000543689920	1075765346	/nfs/dbraw/zinc/76/53/46/1075765346.db2.gz	QFXPTEHYVFODBR-UHFFFAOYSA-N	1	1	417.579	1.911	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CC1	ZINC000804223229	1075776307	/nfs/dbraw/zinc/77/63/07/1075776307.db2.gz	BDZMAFOENHAYHJ-OAQYLSRUSA-N	1	1	408.543	1.446	20	0		HDADMO
C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1	ZINC000539465333	1075776573	/nfs/dbraw/zinc/77/65/73/1075776573.db2.gz	UUVSXYZSABOHMS-UHFFFAOYSA-N	1	1	408.384	1.603	20	0		HDADMO
CC(=O)N1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)Oc2ccccc21	ZINC000732558419	1075785238	/nfs/dbraw/zinc/78/52/38/1075785238.db2.gz	AHHMUHHSGXKLBY-WIYYLYMNSA-N	1	1	400.523	1.427	20	0		HDADMO
CC(=O)N1C[C@H](C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)Oc2ccccc21	ZINC000732558419	1075785242	/nfs/dbraw/zinc/78/52/42/1075785242.db2.gz	AHHMUHHSGXKLBY-WIYYLYMNSA-N	1	1	400.523	1.427	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559545	1075786938	/nfs/dbraw/zinc/78/69/38/1075786938.db2.gz	NWYDZPYXZBLDHS-CVEARBPZSA-N	1	1	420.476	1.777	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559545	1075786943	/nfs/dbraw/zinc/78/69/43/1075786943.db2.gz	NWYDZPYXZBLDHS-CVEARBPZSA-N	1	1	420.476	1.777	20	0		HDADMO
COc1ccc(C)cc1[C@]1(C)NC(=O)N(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O	ZINC000486454362	1075787251	/nfs/dbraw/zinc/78/72/51/1075787251.db2.gz	IOIIERGUIOHBMA-KQDGPHEJSA-N	1	1	405.495	1.241	20	0		HDADMO
COc1ccc(C)cc1[C@]1(C)NC(=O)N(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O	ZINC000486454362	1075787258	/nfs/dbraw/zinc/78/72/58/1075787258.db2.gz	IOIIERGUIOHBMA-KQDGPHEJSA-N	1	1	405.495	1.241	20	0		HDADMO
C[NH+]1CCN(CCCNc2ncnc3cccc(I)c32)CC1	ZINC000546572914	1075791757	/nfs/dbraw/zinc/79/17/57/1075791757.db2.gz	RYRGBUYPLYNFPR-UHFFFAOYSA-N	1	1	411.291	2.284	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)Nc3ncn(Cc4ccccc4)n3)cc2)CC1	ZINC000588253906	1075792119	/nfs/dbraw/zinc/79/21/19/1075792119.db2.gz	USAXUCLZRACJJC-UHFFFAOYSA-N	1	1	419.533	2.396	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccn(CC(=O)N(C)C)n1	ZINC000595434248	1075796060	/nfs/dbraw/zinc/79/60/60/1075796060.db2.gz	MVIKVDMTELDYPY-KRWDZBQOSA-N	1	1	413.522	2.477	20	0		HDADMO
CC(=O)N1CCC([N@H+](CCn2nc3ccccn3c2=O)Cc2cncs2)CC1	ZINC000429280912	1075800953	/nfs/dbraw/zinc/80/09/53/1075800953.db2.gz	SRWCBEYKHHTXQA-UHFFFAOYSA-N	1	1	400.508	1.466	20	0		HDADMO
CC(=O)N1CCC([N@@H+](CCn2nc3ccccn3c2=O)Cc2cncs2)CC1	ZINC000429280912	1075800957	/nfs/dbraw/zinc/80/09/57/1075800957.db2.gz	SRWCBEYKHHTXQA-UHFFFAOYSA-N	1	1	400.508	1.466	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@H](CSC)C2)c(=O)[nH]c1=O	ZINC000429282978	1075809719	/nfs/dbraw/zinc/80/97/19/1075809719.db2.gz	HIOIABSSVIOUIM-AWEZNQCLSA-N	1	1	411.572	1.759	20	0		HDADMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC[N@H+]1Cc1ccccc1	ZINC000578680097	1075811963	/nfs/dbraw/zinc/81/19/63/1075811963.db2.gz	BUNLXTLDKKHNDX-HKUYNNGSSA-N	1	1	412.538	2.488	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)C[N@H+]1Cc1ccccc1	ZINC000467478463	1075812265	/nfs/dbraw/zinc/81/22/65/1075812265.db2.gz	ORSPFCINYPKCBE-AZUAARDMSA-N	1	1	412.538	2.000	20	0		HDADMO
CCOC(=O)C1(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CCC1	ZINC000611030235	1075815068	/nfs/dbraw/zinc/81/50/68/1075815068.db2.gz	FPZBRGKHUWDJNX-UHFFFAOYSA-N	1	1	416.522	1.569	20	0		HDADMO
C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1Cc1ccccc1	ZINC000511719899	1075817446	/nfs/dbraw/zinc/81/74/46/1075817446.db2.gz	BNNFVDOWVLGMEK-PXNSSMCTSA-N	1	1	424.549	1.868	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611037240	1075818255	/nfs/dbraw/zinc/81/82/55/1075818255.db2.gz	HBWXDFJZMWTSJO-LSDHHAIUSA-N	1	1	411.524	1.716	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C1	ZINC000611043333	1075819947	/nfs/dbraw/zinc/81/99/47/1075819947.db2.gz	COYSKXXRXVLJQX-OTWHNJEPSA-N	1	1	407.555	1.901	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](CCC(=O)OCC)C2)CC1	ZINC000611060961	1075821951	/nfs/dbraw/zinc/82/19/51/1075821951.db2.gz	VEDJYOUBKXCEMN-QGZVFWFLSA-N	1	1	410.559	1.742	20	0		HDADMO
COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000611079252	1075829455	/nfs/dbraw/zinc/82/94/55/1075829455.db2.gz	OJQITTZVZSQEDC-OAHLLOKOSA-N	1	1	415.943	1.527	20	0		HDADMO
CN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732703317	1075836656	/nfs/dbraw/zinc/83/66/56/1075836656.db2.gz	SGNDTYSTGBAGBO-AWEZNQCLSA-N	1	1	412.478	1.426	20	0		HDADMO
COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000611107078	1075838320	/nfs/dbraw/zinc/83/83/20/1075838320.db2.gz	YWANVVCPAOOGHZ-GFCCVEGCSA-N	1	1	403.298	1.751	20	0		HDADMO
COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000611107078	1075838326	/nfs/dbraw/zinc/83/83/26/1075838326.db2.gz	YWANVVCPAOOGHZ-GFCCVEGCSA-N	1	1	403.298	1.751	20	0		HDADMO
CC[N@H+]1CCN(CCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@H]1C	ZINC000611091863	1075839969	/nfs/dbraw/zinc/83/99/69/1075839969.db2.gz	AOBIIEYIDQTHCH-GFCCVEGCSA-N	1	1	411.524	1.984	20	0		HDADMO
CCOC(=O)Cn1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1=O	ZINC000611097630	1075841615	/nfs/dbraw/zinc/84/16/15/1075841615.db2.gz	QIHDPVBBKHMHSE-QAPCUYQASA-N	1	1	402.495	1.892	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000611130949	1075847859	/nfs/dbraw/zinc/84/78/59/1075847859.db2.gz	WYTJFMWTUGFELQ-BBRMVZONSA-N	1	1	409.508	1.116	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000611130949	1075847864	/nfs/dbraw/zinc/84/78/64/1075847864.db2.gz	WYTJFMWTUGFELQ-BBRMVZONSA-N	1	1	409.508	1.116	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000732771649	1075851807	/nfs/dbraw/zinc/85/18/07/1075851807.db2.gz	LLELTNIRNZMUDG-UHFFFAOYSA-N	1	1	417.959	1.823	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[NH+]2CCSCC2)c1	ZINC000732777996	1075855377	/nfs/dbraw/zinc/85/53/77/1075855377.db2.gz	MBEBGAQLBFCFDU-UHFFFAOYSA-N	1	1	421.972	1.043	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC[NH+]2CCSCC2)c1	ZINC000732777992	1075855431	/nfs/dbraw/zinc/85/54/31/1075855431.db2.gz	LVXYSSUOUXLJEV-UHFFFAOYSA-N	1	1	403.545	1.633	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1	ZINC000732753525	1075856310	/nfs/dbraw/zinc/85/63/10/1075856310.db2.gz	RPMHGHPFYUBNBM-UHFFFAOYSA-N	1	1	411.572	1.925	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nn1	ZINC000556516046	1075859269	/nfs/dbraw/zinc/85/92/69/1075859269.db2.gz	YKPOUYNDTVTBRH-SFHVURJKSA-N	1	1	411.506	1.883	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1	ZINC000611157235	1075860053	/nfs/dbraw/zinc/86/00/53/1075860053.db2.gz	ZJPXVZYBVOZQBP-UHFFFAOYSA-N	1	1	410.565	1.294	20	0		HDADMO
CC(C)[C@@H](CNC(=O)NCCNc1ccc(-c2ccccc2)nn1)[NH+]1CCOCC1	ZINC000443644929	1075866913	/nfs/dbraw/zinc/86/69/13/1075866913.db2.gz	ADINBSLHMHXJOZ-HXUWFJFHSA-N	1	1	412.538	2.212	20	0		HDADMO
COC(=O)COc1cccc(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1	ZINC000611176968	1075869907	/nfs/dbraw/zinc/86/99/07/1075869907.db2.gz	OWIHOUBKRRYDSP-UHFFFAOYSA-N	1	1	403.523	1.869	20	0		HDADMO
NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732810029	1075871722	/nfs/dbraw/zinc/87/17/22/1075871722.db2.gz	RAPXSLUCYPLHMW-IBGZPJMESA-N	1	1	400.523	1.368	20	0		HDADMO
NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732810029	1075871726	/nfs/dbraw/zinc/87/17/26/1075871726.db2.gz	RAPXSLUCYPLHMW-IBGZPJMESA-N	1	1	400.523	1.368	20	0		HDADMO
COCC1CC[NH+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1	ZINC000732811161	1075872258	/nfs/dbraw/zinc/87/22/58/1075872258.db2.gz	NWMIELXLKPXOEU-NRFANRHFSA-N	1	1	402.495	1.319	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)CC1	ZINC000732835051	1075872790	/nfs/dbraw/zinc/87/27/90/1075872790.db2.gz	VEEQTGKALPHAKR-JVCXIRSZSA-N	1	1	420.579	1.252	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)CC1	ZINC000732835051	1075872793	/nfs/dbraw/zinc/87/27/93/1075872793.db2.gz	VEEQTGKALPHAKR-JVCXIRSZSA-N	1	1	420.579	1.252	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732812273	1075873356	/nfs/dbraw/zinc/87/33/56/1075873356.db2.gz	NBQUBMPNGVVYAV-APWZRJJASA-N	1	1	401.507	1.955	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732812273	1075873360	/nfs/dbraw/zinc/87/33/60/1075873360.db2.gz	NBQUBMPNGVVYAV-APWZRJJASA-N	1	1	401.507	1.955	20	0		HDADMO
CC[N@@H+](Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)C[C@H]1CCOC1	ZINC000611205020	1075877407	/nfs/dbraw/zinc/87/74/07/1075877407.db2.gz	GWCOXARZSMHANX-LLVKDONJSA-N	1	1	423.491	1.345	20	0		HDADMO
CC[N@H+](Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)C[C@H]1CCOC1	ZINC000611205020	1075877410	/nfs/dbraw/zinc/87/74/10/1075877410.db2.gz	GWCOXARZSMHANX-LLVKDONJSA-N	1	1	423.491	1.345	20	0		HDADMO
COc1ccc(CCN2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000732818485	1075878187	/nfs/dbraw/zinc/87/81/87/1075878187.db2.gz	DVNBYGOFGSLMHI-UYAOXDASSA-N	1	1	413.518	1.842	20	0		HDADMO
COc1ccc(CCN2C(=O)C[C@@H]([N@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000732818485	1075878193	/nfs/dbraw/zinc/87/81/93/1075878193.db2.gz	DVNBYGOFGSLMHI-UYAOXDASSA-N	1	1	413.518	1.842	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC[N@H+](CC(=O)N3CCOC[C@H]3C3CC3)CC2)nc1	ZINC000611225130	1075880247	/nfs/dbraw/zinc/88/02/47/1075880247.db2.gz	RJLXBHBMOVZOBT-IBGZPJMESA-N	1	1	416.522	1.408	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC[N@@H+](CC(=O)N3CCOC[C@H]3C3CC3)CC2)nc1	ZINC000611225130	1075880252	/nfs/dbraw/zinc/88/02/52/1075880252.db2.gz	RJLXBHBMOVZOBT-IBGZPJMESA-N	1	1	416.522	1.408	20	0		HDADMO
COC(=O)c1cccc([C@@H](C(=O)OC)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000611244298	1075884481	/nfs/dbraw/zinc/88/44/81/1075884481.db2.gz	QBDHFEOCHDSMMU-MSOLQXFVSA-N	1	1	403.479	1.101	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O	ZINC000611244227	1075885347	/nfs/dbraw/zinc/88/53/47/1075885347.db2.gz	LKDHHZDISZDKQR-CVEARBPZSA-N	1	1	420.535	1.054	20	0		HDADMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)C1	ZINC000611268042	1075889351	/nfs/dbraw/zinc/88/93/51/1075889351.db2.gz	SDHHNOIYNUMIRN-INIZCTEOSA-N	1	1	411.524	1.292	20	0		HDADMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)C1	ZINC000611268042	1075889355	/nfs/dbraw/zinc/88/93/55/1075889355.db2.gz	SDHHNOIYNUMIRN-INIZCTEOSA-N	1	1	411.524	1.292	20	0		HDADMO
CC(C)(C)OC(=O)C1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1	ZINC000611279168	1075890591	/nfs/dbraw/zinc/89/05/91/1075890591.db2.gz	FEMAMVNVBMGJIU-CTWPCTMYSA-N	1	1	424.586	1.593	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[NH+]1CCOCC1	ZINC000732885982	1075892395	/nfs/dbraw/zinc/89/23/95/1075892395.db2.gz	SBRANPUZTIRMTK-JKSUJKDBSA-N	1	1	422.492	1.928	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000611321383	1075899687	/nfs/dbraw/zinc/89/96/87/1075899687.db2.gz	OHQRXCMKIGGIAC-IAGOWNOFSA-N	1	1	419.522	1.864	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611321428	1075899825	/nfs/dbraw/zinc/89/98/25/1075899825.db2.gz	OXHOTVUZFJFFBM-UONOGXRCSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611321428	1075899827	/nfs/dbraw/zinc/89/98/27/1075899827.db2.gz	OXHOTVUZFJFFBM-UONOGXRCSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1	ZINC000611323251	1075900894	/nfs/dbraw/zinc/90/08/94/1075900894.db2.gz	LDVCBYPBMDPCTD-ZDUSSCGKSA-N	1	1	401.463	1.762	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1	ZINC000611323251	1075900897	/nfs/dbraw/zinc/90/08/97/1075900897.db2.gz	LDVCBYPBMDPCTD-ZDUSSCGKSA-N	1	1	401.463	1.762	20	0		HDADMO
CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+]([C@H]3CCOC3)CC1)CCC2	ZINC000611348790	1075913289	/nfs/dbraw/zinc/91/32/89/1075913289.db2.gz	IQIOZTMSBKUAPK-AWEZNQCLSA-N	1	1	407.536	1.759	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1	ZINC000611373469	1075915984	/nfs/dbraw/zinc/91/59/84/1075915984.db2.gz	LUUTUIYPDPHRBY-HOCLYGCPSA-N	1	1	410.465	1.822	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1	ZINC000611373469	1075915989	/nfs/dbraw/zinc/91/59/89/1075915989.db2.gz	LUUTUIYPDPHRBY-HOCLYGCPSA-N	1	1	410.465	1.822	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1C	ZINC000611360082	1075917927	/nfs/dbraw/zinc/91/79/27/1075917927.db2.gz	ZYKWDCIYPGKUQZ-QGZVFWFLSA-N	1	1	412.490	1.779	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1C	ZINC000611458292	1075940047	/nfs/dbraw/zinc/94/00/47/1075940047.db2.gz	QUXICCLVSAGHPG-HNNXBMFYSA-N	1	1	422.551	1.410	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733046343	1075952751	/nfs/dbraw/zinc/95/27/51/1075952751.db2.gz	PEDFUULSNCXSNP-ZBFHGGJFSA-N	1	1	414.506	1.824	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)c(I)c1	ZINC000611515842	1075953265	/nfs/dbraw/zinc/95/32/65/1075953265.db2.gz	IJZGLVBCVOCRBC-UHFFFAOYSA-N	1	1	418.275	1.829	20	0		HDADMO
CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)cn1	ZINC000611546385	1075959842	/nfs/dbraw/zinc/95/98/42/1075959842.db2.gz	LRRUKNSNIMKDEZ-UHFFFAOYSA-N	1	1	411.422	1.339	20	0		HDADMO
CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000733083884	1075966066	/nfs/dbraw/zinc/96/60/66/1075966066.db2.gz	VKXGTXXHDVQTCB-MRXNPFEDSA-N	1	1	400.589	1.962	20	0		HDADMO
C[C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H](C)N1C(=O)OC(C)(C)C	ZINC000733087886	1075971219	/nfs/dbraw/zinc/97/12/19/1075971219.db2.gz	VPJCLZQTHMVVKS-HOTGVXAUSA-N	1	1	400.589	1.913	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(N)=O)CC1=O	ZINC000733141413	1075974091	/nfs/dbraw/zinc/97/40/91/1075974091.db2.gz	KCPWKFFQYAWVRU-ZIAGYGMSSA-N	1	1	418.494	1.074	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nn2cnc3sc(C)c(C)c3c2=O)CC1=O	ZINC000733129341	1075979576	/nfs/dbraw/zinc/97/95/76/1075979576.db2.gz	WDRQGTIJOWUJFN-CABCVRRESA-N	1	1	417.535	1.478	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)NC)CC1=O	ZINC000733130951	1075979920	/nfs/dbraw/zinc/97/99/20/1075979920.db2.gz	VHGMLGLGMYGSMW-HIFRSBDPSA-N	1	1	406.914	1.971	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1=O	ZINC000733135868	1075981648	/nfs/dbraw/zinc/98/16/48/1075981648.db2.gz	KZLKWDYGGNMDRC-SJORKVTESA-N	1	1	410.559	1.692	20	0		HDADMO
C[C@@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163574	1075983978	/nfs/dbraw/zinc/98/39/78/1075983978.db2.gz	OWKMTJJMFVWYHZ-GAQVFZABSA-N	1	1	423.513	1.533	20	0		HDADMO
CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001080180399	1075985061	/nfs/dbraw/zinc/98/50/61/1075985061.db2.gz	HOWWIIWHYUECQM-FLXYZCAYSA-N	1	1	401.507	1.633	20	0		HDADMO
C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12	ZINC001080183343	1075985592	/nfs/dbraw/zinc/98/55/92/1075985592.db2.gz	RFYMJYPNRPMUMB-DISONHOPSA-N	1	1	404.555	1.970	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](C3N=NC(=S)N3C)C2)CC1=O	ZINC000733152528	1075987781	/nfs/dbraw/zinc/98/77/81/1075987781.db2.gz	ZBOUOGFVTWJAEK-HRCADAONSA-N	1	1	420.583	1.143	20	0		HDADMO
O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000493875611	1075992786	/nfs/dbraw/zinc/99/27/86/1075992786.db2.gz	QYMZJIAYIRBMSV-GFCCVEGCSA-N	1	1	410.400	1.869	20	0		HDADMO
O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000733160561	1075993883	/nfs/dbraw/zinc/99/38/83/1075993883.db2.gz	QGEIGYCDQRZWHR-INIZCTEOSA-N	1	1	400.928	1.873	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000733164525	1075997374	/nfs/dbraw/zinc/99/73/74/1075997374.db2.gz	WGMUBNCLMCBMEJ-HNNXBMFYSA-N	1	1	408.465	1.634	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000733164525	1075997375	/nfs/dbraw/zinc/99/73/75/1075997375.db2.gz	WGMUBNCLMCBMEJ-HNNXBMFYSA-N	1	1	408.465	1.634	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000733164526	1075997433	/nfs/dbraw/zinc/99/74/33/1075997433.db2.gz	WGMUBNCLMCBMEJ-OAHLLOKOSA-N	1	1	408.465	1.634	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000733164526	1075997436	/nfs/dbraw/zinc/99/74/36/1075997436.db2.gz	WGMUBNCLMCBMEJ-OAHLLOKOSA-N	1	1	408.465	1.634	20	0		HDADMO
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1	ZINC000511912149	1075999723	/nfs/dbraw/zinc/99/97/23/1075999723.db2.gz	YSCDDFGDHJAZET-IRXDYDNUSA-N	1	1	406.531	1.639	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1	ZINC000733169568	1076000062	/nfs/dbraw/zinc/00/00/62/1076000062.db2.gz	CARCWBLRDHTJQH-QGZVFWFLSA-N	1	1	416.595	1.932	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1	ZINC000733169555	1076000189	/nfs/dbraw/zinc/00/01/89/1076000189.db2.gz	BPEXALYKIDVMPL-INIZCTEOSA-N	1	1	401.507	1.870	20	0		HDADMO
CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)c1	ZINC000733171076	1076001425	/nfs/dbraw/zinc/00/14/25/1076001425.db2.gz	VIMZEBMMWOCAKS-OAHLLOKOSA-N	1	1	414.547	1.127	20	0		HDADMO
CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccccc1	ZINC001081148321	1076002892	/nfs/dbraw/zinc/00/28/92/1076002892.db2.gz	CCKGVUABRKCYNJ-OSFNYYGPSA-N	1	1	422.533	1.762	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1	ZINC000733196355	1076002944	/nfs/dbraw/zinc/00/29/44/1076002944.db2.gz	CCORUBFRTCHQBJ-IUPCOXQMSA-N	1	1	418.519	1.593	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)C2)no1	ZINC000514020160	1076016027	/nfs/dbraw/zinc/01/60/27/1076016027.db2.gz	LUNNFBGYWRUNAV-MSOLQXFVSA-N	1	1	420.558	1.742	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCCCCn3cc[nH+]c3C)C2)no1	ZINC000514025778	1076016676	/nfs/dbraw/zinc/01/66/76/1076016676.db2.gz	ZLXOCXGJAZFTPB-QGZVFWFLSA-N	1	1	417.514	1.750	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3CC)C2)no1	ZINC000514033797	1076017232	/nfs/dbraw/zinc/01/72/32/1076017232.db2.gz	YXOQONBEWZAMRF-IAGOWNOFSA-N	1	1	406.531	1.639	20	0		HDADMO
CCc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)c1	ZINC001081959524	1076019432	/nfs/dbraw/zinc/01/94/32/1076019432.db2.gz	LLFKIBAZYJUVCW-QQEKQYBASA-N	1	1	400.519	1.867	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973586	1076021248	/nfs/dbraw/zinc/02/12/48/1076021248.db2.gz	OMJKDHWUULCANQ-XTKDNXAFSA-N	1	1	400.475	1.800	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973586	1076021253	/nfs/dbraw/zinc/02/12/53/1076021253.db2.gz	OMJKDHWUULCANQ-XTKDNXAFSA-N	1	1	400.475	1.800	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973720	1076021699	/nfs/dbraw/zinc/02/16/99/1076021699.db2.gz	RBTVCTDREBRVRO-MKJVIKKCSA-N	1	1	402.535	1.979	20	0		HDADMO
Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1	ZINC000052816086	1076028815	/nfs/dbraw/zinc/02/88/15/1076028815.db2.gz	JVXMGHYYUXTFSB-QHAWAJNXSA-N	1	1	403.567	1.857	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC(=O)OCc2ccccc2Cl)CC1=O	ZINC000733282664	1076030800	/nfs/dbraw/zinc/03/08/00/1076030800.db2.gz	JNMUYDMMBLZQBA-IAGOWNOFSA-N	1	1	421.925	1.832	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(CN3C[C@H](c4ccccn4)CC3=O)CC2)CC1	ZINC000733299504	1076032897	/nfs/dbraw/zinc/03/28/97/1076032897.db2.gz	MGWUFICZMHWNLV-HXUWFJFHSA-N	1	1	413.566	1.621	20	0		HDADMO
CS(=O)(=O)NCCNC(=S)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1	ZINC000727072646	1076034931	/nfs/dbraw/zinc/03/49/31/1076034931.db2.gz	CTTPXXOOLVDFQN-UHFFFAOYSA-N	1	1	404.989	1.271	20	0		HDADMO
CS(=O)(=O)NCCNC(=S)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1	ZINC000727072646	1076034937	/nfs/dbraw/zinc/03/49/37/1076034937.db2.gz	CTTPXXOOLVDFQN-UHFFFAOYSA-N	1	1	404.989	1.271	20	0		HDADMO
CCN(CC)CCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000727071822	1076038335	/nfs/dbraw/zinc/03/83/35/1076038335.db2.gz	GVGDPEAMPVCHRJ-MRXNPFEDSA-N	1	1	406.662	1.280	20	0		HDADMO
CCCN(C(=S)NCCNS(C)(=O)=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000727084319	1076040628	/nfs/dbraw/zinc/04/06/28/1076040628.db2.gz	DJHYBUOXGRBUPD-GOSISDBHSA-N	1	1	412.625	1.787	20	0		HDADMO
C[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1	ZINC000733294156	1076040913	/nfs/dbraw/zinc/04/09/13/1076040913.db2.gz	UYUGYSUCJXLLFF-IAGOWNOFSA-N	1	1	408.543	1.604	20	0		HDADMO
CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cn3cc(Cl)ccc3n2)c1	ZINC000733328155	1076045027	/nfs/dbraw/zinc/04/50/27/1076045027.db2.gz	JCUNWAKMZSFUPR-UHFFFAOYSA-N	1	1	407.883	1.624	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)c1	ZINC000733370782	1076057996	/nfs/dbraw/zinc/05/79/96/1076057996.db2.gz	OJVDEBBVYHXICE-QGZVFWFLSA-N	1	1	420.466	1.175	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)c1	ZINC000733370782	1076058002	/nfs/dbraw/zinc/05/80/02/1076058002.db2.gz	OJVDEBBVYHXICE-QGZVFWFLSA-N	1	1	420.466	1.175	20	0		HDADMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(C(=O)c2ccco2)CC1	ZINC000054976486	1076065349	/nfs/dbraw/zinc/06/53/49/1076065349.db2.gz	DEPKJWNYWPYJAG-UHFFFAOYSA-N	1	1	412.490	1.779	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1	ZINC000727175803	1076069776	/nfs/dbraw/zinc/06/97/76/1076069776.db2.gz	ZYYLQOOZUGJWRZ-CQSZACIVSA-N	1	1	416.975	1.982	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)o2)CC1	ZINC000733585761	1076115533	/nfs/dbraw/zinc/11/55/33/1076115533.db2.gz	CYHMKFHKVZOCFX-HNNXBMFYSA-N	1	1	420.487	1.745	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cn1	ZINC000733632344	1076133568	/nfs/dbraw/zinc/13/35/68/1076133568.db2.gz	ZRQPLMZVVUABDU-UHFFFAOYSA-N	1	1	421.461	1.503	20	0		HDADMO
C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C	ZINC000733642812	1076137532	/nfs/dbraw/zinc/13/75/32/1076137532.db2.gz	APJGHLIJKFGQSW-HZPDHXFCSA-N	1	1	411.547	1.190	20	0		HDADMO
CO[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C(F)(F)F	ZINC000733672387	1076153789	/nfs/dbraw/zinc/15/37/89/1076153789.db2.gz	VBQYECHDYPPLBM-CQSZACIVSA-N	1	1	422.835	1.724	20	0		HDADMO
CO[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C(F)(F)F	ZINC000733673996	1076156912	/nfs/dbraw/zinc/15/69/12/1076156912.db2.gz	NVVSUSUTABNUCQ-OAHLLOKOSA-N	1	1	402.417	1.461	20	0		HDADMO
Cn1ncc(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C(F)F	ZINC000727568567	1076175481	/nfs/dbraw/zinc/17/54/81/1076175481.db2.gz	QJNBSUQTAIYGKB-UHFFFAOYSA-N	1	1	414.453	1.666	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1	ZINC000733778793	1076203939	/nfs/dbraw/zinc/20/39/39/1076203939.db2.gz	HIUGXRRTSYGQLL-IRXDYDNUSA-N	1	1	419.547	1.944	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1	ZINC000733778794	1076203952	/nfs/dbraw/zinc/20/39/52/1076203952.db2.gz	HIUGXRRTSYGQLL-SJORKVTESA-N	1	1	419.547	1.944	20	0		HDADMO
CCn1cc(CN(C)CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)cn1	ZINC000733790322	1076207845	/nfs/dbraw/zinc/20/78/45/1076207845.db2.gz	KLZIAPBQZGEZCB-QFIPXVFZSA-N	1	1	410.522	1.879	20	0		HDADMO
CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1	ZINC000733797158	1076216490	/nfs/dbraw/zinc/21/64/90/1076216490.db2.gz	REFGYXMGGRLCRI-MRXNPFEDSA-N	1	1	422.551	1.844	20	0		HDADMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1	ZINC000733797158	1076216496	/nfs/dbraw/zinc/21/64/96/1076216496.db2.gz	REFGYXMGGRLCRI-MRXNPFEDSA-N	1	1	422.551	1.844	20	0		HDADMO
CCOC[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)C1	ZINC000733797183	1076216513	/nfs/dbraw/zinc/21/65/13/1076216513.db2.gz	RXDVJGWYTFROCN-IERDGZPVSA-N	1	1	402.495	1.623	20	0		HDADMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)C1	ZINC000733797183	1076216517	/nfs/dbraw/zinc/21/65/17/1076216517.db2.gz	RXDVJGWYTFROCN-IERDGZPVSA-N	1	1	402.495	1.623	20	0		HDADMO
O=C(Cc1csc(-c2nc[nH]n2)n1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000727767033	1076220407	/nfs/dbraw/zinc/22/04/07/1076220407.db2.gz	QRWBXMWWRUDWSO-UHFFFAOYSA-N	1	1	415.498	1.548	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccccc1Cl	ZINC000727752525	1076225490	/nfs/dbraw/zinc/22/54/90/1076225490.db2.gz	QNBUAJPOZHFRHY-DOTOQJQBSA-N	1	1	408.911	1.789	20	0		HDADMO
Cc1noc(Cn2cc(C(=O)Nc3ccc(C[NH+]4CCN(C)CC4)cc3)ccc2=O)n1	ZINC000530332341	1076234165	/nfs/dbraw/zinc/23/41/65/1076234165.db2.gz	MRFFRKGCWJASQG-UHFFFAOYSA-N	1	1	422.489	1.588	20	0		HDADMO
COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1	ZINC000531656365	1076237691	/nfs/dbraw/zinc/23/76/91/1076237691.db2.gz	BDOWZNUXKTUZQK-UHFFFAOYSA-N	1	1	406.430	1.660	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)CC1	ZINC000532998842	1076240541	/nfs/dbraw/zinc/24/05/41/1076240541.db2.gz	YPGXHBZIWPKZDJ-CALCHBBNSA-N	1	1	404.559	1.594	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000533000498	1076241009	/nfs/dbraw/zinc/24/10/09/1076241009.db2.gz	CPWLTFHKJJJJID-APWZRJJASA-N	1	1	413.522	1.982	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000533000498	1076241013	/nfs/dbraw/zinc/24/10/13/1076241013.db2.gz	CPWLTFHKJJJJID-APWZRJJASA-N	1	1	413.522	1.982	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000533847387	1076246022	/nfs/dbraw/zinc/24/60/22/1076246022.db2.gz	LYLWKRKGAKIEOT-LJQANCHMSA-N	1	1	423.521	1.001	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000533847387	1076246024	/nfs/dbraw/zinc/24/60/24/1076246024.db2.gz	LYLWKRKGAKIEOT-LJQANCHMSA-N	1	1	423.521	1.001	20	0		HDADMO
Cc1cc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000533874389	1076246441	/nfs/dbraw/zinc/24/64/41/1076246441.db2.gz	CJCVVSIVQXPPRN-WBVHZDCISA-N	1	1	403.508	1.859	20	0		HDADMO
Cc1cc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000533874389	1076246443	/nfs/dbraw/zinc/24/64/43/1076246443.db2.gz	CJCVVSIVQXPPRN-WBVHZDCISA-N	1	1	403.508	1.859	20	0		HDADMO
CCN(C1CC1)S(=O)(=O)c1c(C)nn(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C	ZINC000534383954	1076247207	/nfs/dbraw/zinc/24/72/07/1076247207.db2.gz	DFMQGOZKBVFTCE-HBUWYVDXSA-N	1	1	414.572	1.143	20	0		HDADMO
CCN(CC)S(=O)(=O)c1c(C)nn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000535120779	1076250068	/nfs/dbraw/zinc/25/00/68/1076250068.db2.gz	LYQMSKBOUOXOQG-JKIFEVAISA-N	1	1	402.561	1.001	20	0		HDADMO
CCN(CC)S(=O)(=O)c1c(C)nn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000535120779	1076250071	/nfs/dbraw/zinc/25/00/71/1076250071.db2.gz	LYQMSKBOUOXOQG-JKIFEVAISA-N	1	1	402.561	1.001	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000535277283	1076251332	/nfs/dbraw/zinc/25/13/32/1076251332.db2.gz	YDOQEJHAOZIIBR-FQEVSTJZSA-N	1	1	415.515	1.624	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000535277283	1076251335	/nfs/dbraw/zinc/25/13/35/1076251335.db2.gz	YDOQEJHAOZIIBR-FQEVSTJZSA-N	1	1	415.515	1.624	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000144162200	1076253847	/nfs/dbraw/zinc/25/38/47/1076253847.db2.gz	GZITXFOZYFVQLD-ZWKOTPCHSA-N	1	1	418.538	1.325	20	0		HDADMO
COc1c(F)cc(CC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1S(N)(=O)=O	ZINC000536035640	1076254671	/nfs/dbraw/zinc/25/46/71/1076254671.db2.gz	MHJGGQZZUZFIRJ-INIZCTEOSA-N	1	1	407.467	1.327	20	0		HDADMO
COc1c(F)cc(CC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1S(N)(=O)=O	ZINC000536035640	1076254674	/nfs/dbraw/zinc/25/46/74/1076254674.db2.gz	MHJGGQZZUZFIRJ-INIZCTEOSA-N	1	1	407.467	1.327	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000536035090	1076254683	/nfs/dbraw/zinc/25/46/83/1076254683.db2.gz	FJQULPBZWPPKCU-WOJBJXKFSA-N	1	1	400.523	1.003	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000536035090	1076254687	/nfs/dbraw/zinc/25/46/87/1076254687.db2.gz	FJQULPBZWPPKCU-WOJBJXKFSA-N	1	1	400.523	1.003	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536047500	1076254857	/nfs/dbraw/zinc/25/48/57/1076254857.db2.gz	JAESDXDWXCNZFB-UTKZUKDTSA-N	1	1	413.566	1.948	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536047500	1076254864	/nfs/dbraw/zinc/25/48/64/1076254864.db2.gz	JAESDXDWXCNZFB-UTKZUKDTSA-N	1	1	413.566	1.948	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH2+]C1(C(=O)NC)CCCC1	ZINC000733896375	1076256501	/nfs/dbraw/zinc/25/65/01/1076256501.db2.gz	YIXLNNIZZQYULW-UHFFFAOYSA-N	1	1	424.523	1.180	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1	ZINC000536746885	1076256818	/nfs/dbraw/zinc/25/68/18/1076256818.db2.gz	CQJZBSBBZHSCKY-DLTLXFJOSA-N	1	1	414.344	1.377	20	0		HDADMO
Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)N1CCCOCC1	ZINC000536741438	1076256843	/nfs/dbraw/zinc/25/68/43/1076256843.db2.gz	FGKAKMCIRSGJHO-IBGZPJMESA-N	1	1	411.506	1.826	20	0		HDADMO
CCOc1ccc(C[NH+]2CCN(CN3C(=O)NC4(CCOCC4)C3=O)CC2)cc1	ZINC000727818210	1076266905	/nfs/dbraw/zinc/26/69/05/1076266905.db2.gz	YAOXMVWGLYIPCJ-UHFFFAOYSA-N	1	1	402.495	1.261	20	0		HDADMO
COCCN(CC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)OC(C)(C)C	ZINC000733951629	1076273295	/nfs/dbraw/zinc/27/32/95/1076273295.db2.gz	LDOLZECHOZMASQ-KZNAEPCWSA-N	1	1	413.559	1.970	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)c2ccccc2COc2cccc(C=O)c2)CC1	ZINC000733974769	1076279475	/nfs/dbraw/zinc/27/94/75/1076279475.db2.gz	BNYMDHZQLXBAIH-UHFFFAOYSA-N	1	1	409.486	1.972	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000733975697	1076280090	/nfs/dbraw/zinc/28/00/90/1076280090.db2.gz	JMYUGQPNKMWWCQ-OAHLLOKOSA-N	1	1	408.465	1.684	20	0		HDADMO
CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)CC(C)(C)O	ZINC000734002605	1076288558	/nfs/dbraw/zinc/28/85/58/1076288558.db2.gz	RBWPZILYOZDGHH-XNTDXEJSSA-N	1	1	409.552	1.224	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)CC1	ZINC000727951666	1076296050	/nfs/dbraw/zinc/29/60/50/1076296050.db2.gz	JDBIZPYCPIEVHQ-UHFFFAOYSA-N	1	1	421.973	1.973	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]21	ZINC001083148197	1076305290	/nfs/dbraw/zinc/30/52/90/1076305290.db2.gz	YYYIXGPAJMKFSE-NVYAHWSDSA-N	1	1	404.482	1.931	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]21	ZINC001083148197	1076305293	/nfs/dbraw/zinc/30/52/93/1076305293.db2.gz	YYYIXGPAJMKFSE-NVYAHWSDSA-N	1	1	404.482	1.931	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]21	ZINC001083148364	1076305931	/nfs/dbraw/zinc/30/59/31/1076305931.db2.gz	IVTKIYPMROGVHP-ZHHZFAINSA-N	1	1	420.513	1.707	20	0		HDADMO
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)C1	ZINC000728053700	1076320545	/nfs/dbraw/zinc/32/05/45/1076320545.db2.gz	PZUXLUNCFQEZOG-MJGOQNOKSA-N	1	1	407.555	1.568	20	0		HDADMO
CO[C@H]1CCC[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1	ZINC000728056392	1076323415	/nfs/dbraw/zinc/32/34/15/1076323415.db2.gz	STLBEEBHZZJHMM-BMANGOCTSA-N	1	1	404.492	1.345	20	0		HDADMO
CO[C@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1	ZINC000728056392	1076323420	/nfs/dbraw/zinc/32/34/20/1076323420.db2.gz	STLBEEBHZZJHMM-BMANGOCTSA-N	1	1	404.492	1.345	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)cc1OC	ZINC000022945502	1076330341	/nfs/dbraw/zinc/33/03/41/1076330341.db2.gz	IEIZLSIZVHEQKU-UHFFFAOYSA-N	1	1	404.555	1.294	20	0		HDADMO
CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1	ZINC000728144472	1076344078	/nfs/dbraw/zinc/34/40/78/1076344078.db2.gz	BJHHUUKYGWNIFV-UHFFFAOYSA-N	1	1	409.552	1.893	20	0		HDADMO
CC(C)(CNC(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N1CCOCC1	ZINC000024829739	1076346407	/nfs/dbraw/zinc/34/64/07/1076346407.db2.gz	SHWZWNVEVJRAQA-UHFFFAOYSA-N	1	1	402.539	1.108	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1F	ZINC000728152255	1076348581	/nfs/dbraw/zinc/34/85/81/1076348581.db2.gz	ZHLRLUWOSGHGEE-SFHVURJKSA-N	1	1	415.450	1.666	20	0		HDADMO
COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c1	ZINC000027279790	1076358822	/nfs/dbraw/zinc/35/88/22/1076358822.db2.gz	GKSYAPSJXZHJNS-LJQANCHMSA-N	1	1	418.538	1.073	20	0		HDADMO
COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c1	ZINC000027279790	1076358829	/nfs/dbraw/zinc/35/88/29/1076358829.db2.gz	GKSYAPSJXZHJNS-LJQANCHMSA-N	1	1	418.538	1.073	20	0		HDADMO
C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1N1CCOCC1	ZINC000027372885	1076359646	/nfs/dbraw/zinc/35/96/46/1076359646.db2.gz	ODDIFGZOYWSQBO-UHFFFAOYSA-N	1	1	405.520	1.681	20	0		HDADMO
Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccc(C[NH+]3CCOCC3)cc1)C2=O	ZINC000029716321	1076363273	/nfs/dbraw/zinc/36/32/73/1076363273.db2.gz	ZFFPMXDVRAKUBO-UHFFFAOYSA-N	1	1	407.470	1.740	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)c1	ZINC000728173157	1076364604	/nfs/dbraw/zinc/36/46/04/1076364604.db2.gz	PVMJQDUYCXYRNS-SBUREZEXSA-N	1	1	422.485	1.983	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)c1	ZINC000728173157	1076364609	/nfs/dbraw/zinc/36/46/09/1076364609.db2.gz	PVMJQDUYCXYRNS-SBUREZEXSA-N	1	1	422.485	1.983	20	0		HDADMO
CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)c1	ZINC001084532856	1076369428	/nfs/dbraw/zinc/36/94/28/1076369428.db2.gz	RWHGARAATGYJBZ-CPIJNGAXSA-N	1	1	409.530	1.845	20	0		HDADMO
CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)c1	ZINC001084532856	1076369435	/nfs/dbraw/zinc/36/94/35/1076369435.db2.gz	RWHGARAATGYJBZ-CPIJNGAXSA-N	1	1	409.530	1.845	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1	ZINC000730083447	1076431488	/nfs/dbraw/zinc/43/14/88/1076431488.db2.gz	LSCOPBSSDYILTB-ROUUACIJSA-N	1	1	413.515	1.184	20	0		HDADMO
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)n(C)c2)C1	ZINC000730216915	1076479000	/nfs/dbraw/zinc/47/90/00/1076479000.db2.gz	VZHYRHMWRPDODJ-ZACQAIPSSA-N	1	1	424.567	1.039	20	0		HDADMO
CCCNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000730251686	1076497569	/nfs/dbraw/zinc/49/75/69/1076497569.db2.gz	HUZUKYODTAXJEL-JOCHJYFZSA-N	1	1	416.522	1.744	20	0		HDADMO
C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000730261350	1076503203	/nfs/dbraw/zinc/50/32/03/1076503203.db2.gz	IBCBEILLLJLMLL-YVUOITTCSA-N	1	1	421.563	1.367	20	0		HDADMO
COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000730286733	1076514185	/nfs/dbraw/zinc/51/41/85/1076514185.db2.gz	WQHDCCZTKPKHJU-HNNXBMFYSA-N	1	1	418.567	1.385	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CC2)CC1	ZINC000730528047	1076590008	/nfs/dbraw/zinc/59/00/08/1076590008.db2.gz	PYHUTKLGUAEGGK-SFHVURJKSA-N	1	1	422.570	1.789	20	0		HDADMO
Cn1ccnc1[C@](O)(CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(F)(F)F	ZINC000730560347	1076594671	/nfs/dbraw/zinc/59/46/71/1076594671.db2.gz	WBJWWDQLNDUVCM-CRAIPNDOSA-N	1	1	417.476	1.189	20	0		HDADMO
CC(=O)[C@@H]1CC(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)=NN1c1ccccc1	ZINC000730559723	1076594963	/nfs/dbraw/zinc/59/49/63/1076594963.db2.gz	JQRPSWGQSMNBHB-IRLDBZIGSA-N	1	1	411.550	1.839	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000730562969	1076603501	/nfs/dbraw/zinc/60/35/01/1076603501.db2.gz	OLCUEOANHHTENX-HZPDHXFCSA-N	1	1	420.476	1.778	20	0		HDADMO
COC(=O)NCCCC(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1	ZINC000730746605	1076646289	/nfs/dbraw/zinc/64/62/89/1076646289.db2.gz	NCOLDTMGJVLAOE-GOSISDBHSA-N	1	1	402.495	1.245	20	0		HDADMO
O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000730774082	1076650411	/nfs/dbraw/zinc/65/04/11/1076650411.db2.gz	SJYVLSPJVYSGFZ-ZACQAIPSSA-N	1	1	420.897	1.524	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C1	ZINC000730787529	1076657916	/nfs/dbraw/zinc/65/79/16/1076657916.db2.gz	LTXBQLNIRHAMTA-QFBILLFUSA-N	1	1	416.522	1.800	20	0		HDADMO
C[N@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O	ZINC000730803834	1076658846	/nfs/dbraw/zinc/65/88/46/1076658846.db2.gz	OWWOZKYUAOYSON-YCRPNKLZSA-N	1	1	416.478	1.726	20	0		HDADMO
C[N@@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O	ZINC000730803834	1076658849	/nfs/dbraw/zinc/65/88/49/1076658849.db2.gz	OWWOZKYUAOYSON-YCRPNKLZSA-N	1	1	416.478	1.726	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1	ZINC000730808255	1076665893	/nfs/dbraw/zinc/66/58/93/1076665893.db2.gz	GJVZJAQCZXLGOP-GOSISDBHSA-N	1	1	422.570	1.790	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1	ZINC000730808255	1076665895	/nfs/dbraw/zinc/66/58/95/1076665895.db2.gz	GJVZJAQCZXLGOP-GOSISDBHSA-N	1	1	422.570	1.790	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1=O	ZINC000730841773	1076671569	/nfs/dbraw/zinc/67/15/69/1076671569.db2.gz	MPODXQZMDYOCBV-KZNAEPCWSA-N	1	1	422.570	1.835	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1	ZINC000730936356	1076696989	/nfs/dbraw/zinc/69/69/89/1076696989.db2.gz	KSYVRIJIWUTULK-CQSZACIVSA-N	1	1	414.959	1.594	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000730955098	1076700959	/nfs/dbraw/zinc/70/09/59/1076700959.db2.gz	UGZNLDKFOBTVQL-OAHLLOKOSA-N	1	1	412.581	1.336	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN/C=C3\C(=O)NC(=O)c4ccccc43)c2)C1	ZINC000730996167	1076707099	/nfs/dbraw/zinc/70/70/99/1076707099.db2.gz	PAADTRDFOPZOQK-PKIWBCANSA-N	1	1	418.497	1.785	20	0		HDADMO
C[C@H](CN1CCOCC1)[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1	ZINC000731031244	1076714429	/nfs/dbraw/zinc/71/44/29/1076714429.db2.gz	XTAZPJVKVYDKLD-HXUWFJFHSA-N	1	1	417.550	1.575	20	0		HDADMO
C[C@H](CN1CCOCC1)[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1	ZINC000731031244	1076714434	/nfs/dbraw/zinc/71/44/34/1076714434.db2.gz	XTAZPJVKVYDKLD-HXUWFJFHSA-N	1	1	417.550	1.575	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(Cn4cccn4)o3)CC2)CC1	ZINC000731180555	1076745453	/nfs/dbraw/zinc/74/54/53/1076745453.db2.gz	DPUAHMDUOYENFS-UHFFFAOYSA-N	1	1	413.522	1.931	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)CC1	ZINC000731206064	1076754666	/nfs/dbraw/zinc/75/46/66/1076754666.db2.gz	YYERNPQQGZOTOF-UHFFFAOYSA-N	1	1	416.353	1.774	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc(C(N)=O)cc3C)CC2)CC1	ZINC000731280374	1076774012	/nfs/dbraw/zinc/77/40/12/1076774012.db2.gz	KRNZTRWFMQHVGS-UHFFFAOYSA-N	1	1	415.538	1.892	20	0		HDADMO
C[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)C[C@@H]21	ZINC001164671501	719410172	/nfs/dbraw/zinc/41/01/72/719410172.db2.gz	PSIJYTPCHXXACQ-ROUUACIJSA-N	1	1	402.520	1.857	20	0		HDADMO
COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1	ZINC001164666476	719418239	/nfs/dbraw/zinc/41/82/39/719418239.db2.gz	CYGRKBFTZPGWSJ-DGEHHSODSA-N	1	1	402.495	1.772	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CC2	ZINC001164685236	719705477	/nfs/dbraw/zinc/70/54/77/719705477.db2.gz	SQZIWBCETQCDEK-UHFFFAOYSA-N	1	1	416.904	1.922	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2nc(Cl)ccc21	ZINC001164707124	719844418	/nfs/dbraw/zinc/84/44/18/719844418.db2.gz	ZLCVNKZGCISBRM-YJYMSZOUSA-N	1	1	405.886	1.911	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c(OC)cccc21	ZINC001164702682	719845170	/nfs/dbraw/zinc/84/51/70/719845170.db2.gz	OWBRSESURXIJOM-YCRPNKLZSA-N	1	1	400.479	1.871	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1[nH]c2cc(=O)[nH]c-2cc1Cl	ZINC001164700564	719856264	/nfs/dbraw/zinc/85/62/64/719856264.db2.gz	ICBXHGYIRIDKHA-BLVKFPJESA-N	1	1	408.886	1.462	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1[nH]c2cc(=O)[nH]c-2cc1Cl	ZINC001164700566	719856605	/nfs/dbraw/zinc/85/66/05/719856605.db2.gz	ICBXHGYIRIDKHA-CWTRNNRKSA-N	1	1	408.886	1.462	20	0		HDADMO
COC(=O)c1cc2c[nH]c(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)cc-2n1	ZINC001164707654	719863818	/nfs/dbraw/zinc/86/38/18/719863818.db2.gz	UXGGHBMIIRGIOB-YCRPNKLZSA-N	1	1	416.478	1.582	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(S(N)(=O)=O)cc1Cl)C2	ZINC001164815926	720104860	/nfs/dbraw/zinc/10/48/60/720104860.db2.gz	XNEAIHQJTHTWHT-KDOFPFPSSA-N	1	1	414.959	1.567	20	0		HDADMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1nnn3C)CC2	ZINC001164713984	720142746	/nfs/dbraw/zinc/14/27/46/720142746.db2.gz	USDCPXHIJYOZTH-QGZVFWFLSA-N	1	1	408.510	1.661	20	0		HDADMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(-n3cncn3)n1)CC2	ZINC001164714633	720146897	/nfs/dbraw/zinc/14/68/97/720146897.db2.gz	XSHKWGLCZGTDDW-IBGZPJMESA-N	1	1	420.521	1.960	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)C2	ZINC001164814313	720167745	/nfs/dbraw/zinc/16/77/45/720167745.db2.gz	FRLRHXBKYGWRNI-NQIIRXRSSA-N	1	1	422.595	1.953	20	0		HDADMO
Cn1nnc2c1CCN(c1cc(Cl)nc3[nH]cnc31)[C@H]2COCC[NH+]1CCCC1	ZINC001164718212	720180065	/nfs/dbraw/zinc/18/00/65/720180065.db2.gz	NOBUQQJZSNNCFR-HNNXBMFYSA-N	1	1	416.917	1.956	20	0		HDADMO
Cc1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1C(N)=O	ZINC001164813306	720211256	/nfs/dbraw/zinc/21/12/56/720211256.db2.gz	OCWYLPSFLJWDMX-UHFFFAOYSA-N	1	1	418.929	1.950	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164813296	720230885	/nfs/dbraw/zinc/23/08/85/720230885.db2.gz	MOHOMKMNKZRDMG-UHFFFAOYSA-N	1	1	414.510	1.522	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4cc(Cl)ncc43)C2)C1	ZINC001164720422	720234346	/nfs/dbraw/zinc/23/43/46/720234346.db2.gz	VOYQFURISWZFFH-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4cc(Cl)ncc43)C2)C1	ZINC001164720422	720234352	/nfs/dbraw/zinc/23/43/52/720234352.db2.gz	VOYQFURISWZFFH-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
COCCOc1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nn1	ZINC001164814499	720239112	/nfs/dbraw/zinc/23/91/12/720239112.db2.gz	VWKRIRWQKKCMNA-UHFFFAOYSA-N	1	1	402.499	1.309	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1	ZINC001164720011	720241125	/nfs/dbraw/zinc/24/11/25/720241125.db2.gz	QKNNYAZRSPPZPO-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1	ZINC001164720011	720241137	/nfs/dbraw/zinc/24/11/37/720241137.db2.gz	QKNNYAZRSPPZPO-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CCc1cc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)[nH]1	ZINC001164722308	720277929	/nfs/dbraw/zinc/27/79/29/720277929.db2.gz	PNTRHHFHWZRREN-HXUWFJFHSA-N	1	1	420.945	1.839	20	0		HDADMO
CCc1cc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)[nH]1	ZINC001164722308	720277938	/nfs/dbraw/zinc/27/79/38/720277938.db2.gz	PNTRHHFHWZRREN-HXUWFJFHSA-N	1	1	420.945	1.839	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CCNC3)CC1	ZINC001164821090	720301375	/nfs/dbraw/zinc/30/13/75/720301375.db2.gz	JKMLNKDYWVSKBK-QZTJIDSGSA-N	1	1	418.973	1.687	20	0		HDADMO
Clc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCOCC2)n1	ZINC001164726072	720353592	/nfs/dbraw/zinc/35/35/92/720353592.db2.gz	PLNWPVKYZPEDDG-CVEARBPZSA-N	1	1	401.902	1.610	20	0		HDADMO
CN1c2cnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2N2CCC[C@H]2C1=O	ZINC001164721628	720387898	/nfs/dbraw/zinc/38/78/98/720387898.db2.gz	ADEPRZRUWPQUNS-SQNIBIBYSA-N	1	1	405.506	1.670	20	0		HDADMO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CCN(C)CC4)nn3)CC[C@@H]21	ZINC001164840678	720512191	/nfs/dbraw/zinc/51/21/91/720512191.db2.gz	XFLPOIGKUJIUBX-HKBOAZHASA-N	1	1	424.597	1.803	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CCN(C)CC4)nn3)CC[C@@H]21	ZINC001164840678	720512192	/nfs/dbraw/zinc/51/21/92/720512192.db2.gz	XFLPOIGKUJIUBX-HKBOAZHASA-N	1	1	424.597	1.803	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(C(N)=O)n3)CC[C@@H]21	ZINC001164834291	720529616	/nfs/dbraw/zinc/52/96/16/720529616.db2.gz	DHFGMARDIVUDCH-DZKIICNBSA-N	1	1	403.918	1.803	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1	ZINC001164842859	720601885	/nfs/dbraw/zinc/60/18/85/720601885.db2.gz	WBIJUNXNXNJVSQ-ZIFCJYIRSA-N	1	1	418.567	1.564	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164739569	720618916	/nfs/dbraw/zinc/61/89/16/720618916.db2.gz	GADVFCLUGOQXNV-RYUDHWBXSA-N	1	1	424.839	1.511	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164739569	720618930	/nfs/dbraw/zinc/61/89/30/720618930.db2.gz	GADVFCLUGOQXNV-RYUDHWBXSA-N	1	1	424.839	1.511	20	0		HDADMO
CC(C)(C)OC(=O)Nc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncn1	ZINC001164743086	720641198	/nfs/dbraw/zinc/64/11/98/720641198.db2.gz	OWNMBSJSRQTXHO-LSDHHAIUSA-N	1	1	413.482	1.956	20	0		HDADMO
CCOC(=O)c1nnc(Cl)cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739594	720681829	/nfs/dbraw/zinc/68/18/29/720681829.db2.gz	OBRHRAHQWCMFEM-OLZOCXBDSA-N	1	1	404.858	1.439	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737619	720693115	/nfs/dbraw/zinc/69/31/15/720693115.db2.gz	GPNVMDFIYNWUFZ-IAGOWNOFSA-N	1	1	420.473	1.938	20	0		HDADMO
Clc1ncc(N2CCOCC2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164741993	720702519	/nfs/dbraw/zinc/70/25/19/720702519.db2.gz	VDHHAMCECQPCCK-LSDHHAIUSA-N	1	1	417.901	1.099	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(S(N)(=O)=O)ccn1)CC2	ZINC001164838814	720718574	/nfs/dbraw/zinc/71/85/74/720718574.db2.gz	JEXHJCCUJFCCMU-GOSISDBHSA-N	1	1	416.547	1.989	20	0		HDADMO
CN(C)c1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164740501	720722076	/nfs/dbraw/zinc/72/20/76/720722076.db2.gz	QQHVXWFRCPPFDS-ROUUACIJSA-N	1	1	418.505	1.737	20	0		HDADMO
CCc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164746941	720729734	/nfs/dbraw/zinc/72/97/34/720729734.db2.gz	ZBVJRKZNRDLTLB-QZTJIDSGSA-N	1	1	411.510	1.008	20	0		HDADMO
CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c21	ZINC001164742148	720747173	/nfs/dbraw/zinc/74/71/73/720747173.db2.gz	NOSNRKCFHQFOPA-CHWSQXEVSA-N	1	1	403.874	1.091	20	0		HDADMO
Clc1nc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164748290	720794957	/nfs/dbraw/zinc/79/49/57/720794957.db2.gz	QILRXBCKISJRQI-WDEREUQCSA-N	1	1	419.276	1.859	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@H]43)c2)CC1	ZINC001164848205	720804405	/nfs/dbraw/zinc/80/44/05/720804405.db2.gz	PECDNVRTSRPBIZ-SLFFLAALSA-N	1	1	400.523	1.675	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164741734	720806858	/nfs/dbraw/zinc/80/68/58/720806858.db2.gz	BQVQHQVIXJKXPU-ZIAGYGMSSA-N	1	1	417.901	1.402	20	0		HDADMO
CS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164740258	720820581	/nfs/dbraw/zinc/82/05/81/720820581.db2.gz	JWOMVYIIBVPASN-RCCFBDPRSA-N	1	1	416.551	1.456	20	0		HDADMO
CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1	ZINC001164745146	720821235	/nfs/dbraw/zinc/82/12/35/720821235.db2.gz	WQBQSOGKELWYPD-ZIFCJYIRSA-N	1	1	411.510	1.624	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1F	ZINC001164743321	720821454	/nfs/dbraw/zinc/82/14/54/720821454.db2.gz	SEQHVPWJLHBBMP-TXPKVOOTSA-N	1	1	414.485	1.978	20	0		HDADMO
NC(=O)c1ncc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164737978	720822581	/nfs/dbraw/zinc/82/25/81/720822581.db2.gz	CVXVEFIYXSPPRL-QLFBSQMISA-N	1	1	416.917	1.200	20	0		HDADMO
NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745603	720829915	/nfs/dbraw/zinc/82/99/15/720829915.db2.gz	XDAGZBKTIINLFY-HLLBOEOZSA-N	1	1	415.929	1.805	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164744535	720829997	/nfs/dbraw/zinc/82/99/97/720829997.db2.gz	UYFQGGFGGFBPPS-LAVFITLUSA-N	1	1	422.537	1.893	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164741433	720832002	/nfs/dbraw/zinc/83/20/02/720832002.db2.gz	FHGCZOOYEOITMM-HMXCVIKNSA-N	1	1	421.549	1.945	20	0		HDADMO
C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164747836	720833621	/nfs/dbraw/zinc/83/36/21/720833621.db2.gz	RSOMONKAMYKFOX-QSPRXWTASA-N	1	1	408.510	1.503	20	0		HDADMO
c1ncn(C[C@@H]2C[C@@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164743130	720836528	/nfs/dbraw/zinc/83/65/28/720836528.db2.gz	IWFQHSDTOFVLMD-HSALFYBXSA-N	1	1	424.553	1.284	20	0		HDADMO
CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164741924	720836720	/nfs/dbraw/zinc/83/67/20/720836720.db2.gz	FWXVDMKXFZJIHZ-QWFCFKBJSA-N	1	1	409.538	1.802	20	0		HDADMO
Cc1cn(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cn1	ZINC001164743603	720839166	/nfs/dbraw/zinc/83/91/66/720839166.db2.gz	JOEVIAGTLQGBJZ-XUVXKRRUSA-N	1	1	419.537	1.942	20	0		HDADMO
c1ncn(C[C@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1	ZINC001164746633	720840608	/nfs/dbraw/zinc/84/06/08/720840608.db2.gz	PUHXZKMGPQZBQG-NJDAHSKKSA-N	1	1	423.565	1.889	20	0		HDADMO
c1ncn(C[C@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164746633	720840611	/nfs/dbraw/zinc/84/06/11/720840611.db2.gz	PUHXZKMGPQZBQG-NJDAHSKKSA-N	1	1	423.565	1.889	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc5c(cc43)OCCO5)CC[C@@H]2C1	ZINC001164851826	720840754	/nfs/dbraw/zinc/84/07/54/720840754.db2.gz	IAMLBSUOYUMOSC-QRWLVFNGSA-N	1	1	400.479	1.575	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164743538	720843180	/nfs/dbraw/zinc/84/31/80/720843180.db2.gz	IYEHJVBLLKSJPP-ZIFCJYIRSA-N	1	1	416.551	1.456	20	0		HDADMO
CCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164749663	720845864	/nfs/dbraw/zinc/84/58/64/720845864.db2.gz	WOKDTWSKJWFANC-SLFFLAALSA-N	1	1	409.538	1.802	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc4nc(C(=O)OC)cc-4c(OC)[nH]3)CC[C@@H]2C1	ZINC001164858999	720852874	/nfs/dbraw/zinc/85/28/74/720852874.db2.gz	TXKIFSZZSSLRAJ-RDTXWAMCSA-N	1	1	418.494	1.532	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ncc3N3CCOCC3)CC[C@@H]2C1	ZINC001164862244	720856857	/nfs/dbraw/zinc/85/68/57/720856857.db2.gz	ZTZSPVGJPFCYDX-NVXWUHKLSA-N	1	1	411.934	1.140	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3N3CCOCC3)CC[C@H]2C1	ZINC001164862247	720857027	/nfs/dbraw/zinc/85/70/27/720857027.db2.gz	ZTZSPVGJPFCYDX-RDJZCZTQSA-N	1	1	411.934	1.140	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1	ZINC001164853595	720857058	/nfs/dbraw/zinc/85/70/58/720857058.db2.gz	HTZWVJDVKSYKKI-ZBFHGGJFSA-N	1	1	412.918	1.409	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC[C@@H]2C1	ZINC001164855501	720863145	/nfs/dbraw/zinc/86/31/45/720863145.db2.gz	NBJVCRRKBBBVJE-RTBURBONSA-N	1	1	412.538	1.778	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(OC)nc(N4CCCCCC4)n3)CC[C@H]2C1	ZINC001164862098	720873399	/nfs/dbraw/zinc/87/33/99/720873399.db2.gz	QOODMLWPTNZRHJ-ROUUACIJSA-N	1	1	420.558	1.434	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)CC[C@@H]2C1	ZINC001164864769	720875616	/nfs/dbraw/zinc/87/56/16/720875616.db2.gz	XCBGXCZFZWMIBQ-KGLIPLIRSA-N	1	1	406.861	1.771	20	0		HDADMO
NC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1	ZINC001164747906	720878299	/nfs/dbraw/zinc/87/82/99/720878299.db2.gz	CGBJOEONFKDWLE-XXBNENTESA-N	1	1	422.533	1.726	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)CC[C@@H]2C1	ZINC001164860084	720887514	/nfs/dbraw/zinc/88/75/14/720887514.db2.gz	ODVMJDRRIMDQJB-ZIAGYGMSSA-N	1	1	419.904	1.914	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1Cl	ZINC001164861070	721031478	/nfs/dbraw/zinc/03/14/78/721031478.db2.gz	AFXWFNCCQWDQFL-UHFFFAOYSA-N	1	1	421.839	1.883	20	0		HDADMO
COC(=O)Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866863	721072399	/nfs/dbraw/zinc/07/23/99/721072399.db2.gz	GJOSQVVIAXXTFC-HOTGVXAUSA-N	1	1	417.897	1.720	20	0		HDADMO
CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c12	ZINC001164768658	721093996	/nfs/dbraw/zinc/09/39/96/721093996.db2.gz	OCAAOWAKKQTKPL-HOTGVXAUSA-N	1	1	409.494	1.826	20	0		HDADMO
O=C1NCc2c1c(N1CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C1)nc(Cl)c2F	ZINC001164865616	721098929	/nfs/dbraw/zinc/09/89/29/721098929.db2.gz	NMQOYRSCECPXRH-UONOGXRCSA-N	1	1	417.872	1.992	20	0		HDADMO
CCc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(N2CCOCC2)n1	ZINC001164863328	721113090	/nfs/dbraw/zinc/11/30/90/721113090.db2.gz	BVENSSUALDXAHV-SFTDATJTSA-N	1	1	424.549	1.750	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(S(N)(=O)=O)cc4Cl)C[C@@H]3C2)cn1	ZINC001164764107	721113545	/nfs/dbraw/zinc/11/35/45/721113545.db2.gz	GZJBEOCMLAEWTQ-KGLIPLIRSA-N	1	1	410.931	1.074	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164762059	721118363	/nfs/dbraw/zinc/11/83/63/721118363.db2.gz	BHZXHHOAZAHVPT-HOTGVXAUSA-N	1	1	400.483	1.354	20	0		HDADMO
COC(=O)c1cc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2n1C	ZINC001164871523	721134061	/nfs/dbraw/zinc/13/40/61/721134061.db2.gz	FFKCRHWOBZDWNZ-ROUUACIJSA-N	1	1	422.489	1.630	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001164876534	721139456	/nfs/dbraw/zinc/13/94/56/721139456.db2.gz	NBEPHDWQZBVTPB-MSOLQXFVSA-N	1	1	417.535	1.207	20	0		HDADMO
CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(N2CCOCC2)n1	ZINC001164762677	721165237	/nfs/dbraw/zinc/16/52/37/721165237.db2.gz	DDIJPCANVWQKMH-OALUTQOASA-N	1	1	411.554	1.567	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164880668	721167575	/nfs/dbraw/zinc/16/75/75/721167575.db2.gz	WVFLZYDNJFVJMG-HUUCEWRRSA-N	1	1	403.870	1.791	20	0		HDADMO
CN1CCN(c2nccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1	ZINC001164879872	721167782	/nfs/dbraw/zinc/16/77/82/721167782.db2.gz	UWKHPQNFOYOQCE-WOJBJXKFSA-N	1	1	409.538	1.103	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@H]3C2)cn1	ZINC001164773315	721208181	/nfs/dbraw/zinc/20/81/81/721208181.db2.gz	WEMAMKSMRPBBGP-NHCUHLMSSA-N	1	1	404.518	1.983	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)C[C@@H]3C2)cn1	ZINC001164762802	721243812	/nfs/dbraw/zinc/24/38/12/721243812.db2.gz	LIZCCQQSDOKNAG-IXDOHACOSA-N	1	1	418.929	1.990	20	0		HDADMO
Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1NC(C)C	ZINC001164871842	721261064	/nfs/dbraw/zinc/26/10/64/721261064.db2.gz	AIGWHMXNEFAOCT-UHFFFAOYSA-N	1	1	404.559	1.612	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1C	ZINC001164873174	721261093	/nfs/dbraw/zinc/26/10/93/721261093.db2.gz	GRYUYROCOOAQNS-UHFFFAOYSA-N	1	1	418.538	1.574	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc4c3C(=O)OC4(C)C)CC2)C1	ZINC001164869340	721270982	/nfs/dbraw/zinc/27/09/82/721270982.db2.gz	KPZQIDOIBLSJPF-UHFFFAOYSA-N	1	1	416.522	1.494	20	0		HDADMO
COCc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(SC)n1	ZINC001164869373	721273091	/nfs/dbraw/zinc/27/30/91/721273091.db2.gz	MIGYHGKMGULFII-UHFFFAOYSA-N	1	1	423.583	1.352	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc4ncnc(Cl)c4n3)CC2)C1	ZINC001164872097	721278752	/nfs/dbraw/zinc/27/87/52/721278752.db2.gz	AEOIYQICEGFIFI-UHFFFAOYSA-N	1	1	419.917	1.080	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3c(F)nc(F)nc3Cl)CC2)C1	ZINC001164872102	721283385	/nfs/dbraw/zinc/28/33/85/721283385.db2.gz	AFJPJEZIPROVII-UHFFFAOYSA-N	1	1	403.861	1.415	20	0		HDADMO
CN(C)C(=O)CN1CCOCC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)C1	ZINC001164878539	721292731	/nfs/dbraw/zinc/29/27/31/721292731.db2.gz	QYVDUUHUPRHFEF-UHFFFAOYSA-N	1	1	415.582	1.684	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3nnn4C)C2)C1	ZINC001164780307	721366811	/nfs/dbraw/zinc/36/68/11/721366811.db2.gz	FXWXDIWWUASULT-FQEVSTJZSA-N	1	1	412.498	1.482	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(Cl)c(C(N)=O)n4)C3)O2)CC1	ZINC001164885577	721387738	/nfs/dbraw/zinc/38/77/38/721387738.db2.gz	COIDGRCHOPGLRO-QRWLVFNGSA-N	1	1	407.946	1.599	20	0		HDADMO
CCOC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164887787	721391393	/nfs/dbraw/zinc/39/13/93/721391393.db2.gz	IJYXRGPUMPFJFA-DYESRHJHSA-N	1	1	403.527	1.419	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4COC5)C3)O2)CC1	ZINC001164889804	721398155	/nfs/dbraw/zinc/39/81/55/721398155.db2.gz	MKGXBHIPPPIBMJ-FOIQADDNSA-N	1	1	407.946	1.926	20	0		HDADMO
CN1c2cnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2N2CCC[C@H]2C1=O	ZINC001164789500	721411805	/nfs/dbraw/zinc/41/18/05/721411805.db2.gz	UPBZSQPLXCIORJ-KKUMJFAQSA-N	1	1	411.535	1.447	20	0		HDADMO
CN(C)c1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2nc[nH]c21	ZINC001164886574	721419799	/nfs/dbraw/zinc/41/97/99/721419799.db2.gz	JZABIBDIQITRKY-KKSFZXQISA-N	1	1	414.558	1.184	20	0		HDADMO
Cc1cn(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)cn1	ZINC001164883726	721424302	/nfs/dbraw/zinc/42/43/02/721424302.db2.gz	BXBLULRDWWZXAH-SIKLNZKXSA-N	1	1	411.554	1.736	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(Cn5cncn5)cn4)C3)O2)CC1	ZINC001164899374	721434819	/nfs/dbraw/zinc/43/48/19/721434819.db2.gz	YIZURXCASYTBJI-RBBKRZOGSA-N	1	1	411.554	1.487	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@@H]43)c2)CC1	ZINC001164884872	721459574	/nfs/dbraw/zinc/45/95/74/721459574.db2.gz	BMJYKQWJSWZICX-UFYCRDLUSA-N	1	1	400.523	1.817	20	0		HDADMO
CNC(=O)c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nn1	ZINC001164791789	721469054	/nfs/dbraw/zinc/46/90/54/721469054.db2.gz	ZFBAYMZNEBRIFE-GOSISDBHSA-N	1	1	417.554	1.570	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@]4(CC(=O)NCC4CC4)C3)c2)CC1	ZINC001164898959	721484437	/nfs/dbraw/zinc/48/44/37/721484437.db2.gz	XNXQDCIPIKRRPN-JPYJTQIMSA-N	1	1	414.550	1.924	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(C[C@@H](C(=O)NC5CCC5)CO4)CC3)n2)CC1	ZINC001164900447	721490765	/nfs/dbraw/zinc/49/07/65/721490765.db2.gz	PSKHFFNAUUMPLH-QGZVFWFLSA-N	1	1	414.554	1.273	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCOCC3)n2)[C@H]2CCCO[C@H]12	ZINC001164807295	721564961	/nfs/dbraw/zinc/56/49/61/721564961.db2.gz	SNIWRHFDOQXGIW-ZVDOUQERSA-N	1	1	410.522	1.576	20	0		HDADMO
NS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164908424	721586816	/nfs/dbraw/zinc/58/68/16/721586816.db2.gz	ZBXIHDDCBCHERE-SFHVURJKSA-N	1	1	423.489	1.862	20	0		HDADMO
COC(=O)c1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1OC	ZINC001164800021	721591136	/nfs/dbraw/zinc/59/11/36/721591136.db2.gz	BFVMJWMECGROFJ-XYJFISCASA-N	1	1	413.478	1.535	20	0		HDADMO
COC(=O)c1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1OC	ZINC001164800021	721591137	/nfs/dbraw/zinc/59/11/37/721591137.db2.gz	BFVMJWMECGROFJ-XYJFISCASA-N	1	1	413.478	1.535	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)c2)CC1	ZINC001164802863	721596640	/nfs/dbraw/zinc/59/66/40/721596640.db2.gz	VZZFHYNKOVBTGL-HSALFYBXSA-N	1	1	416.522	1.150	20	0		HDADMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(S(N)(=O)=O)ccn1)C2	ZINC001164909466	721763372	/nfs/dbraw/zinc/76/33/72/721763372.db2.gz	AKKKYJLIHVXFBF-UHFFFAOYSA-N	1	1	413.503	1.912	20	0		HDADMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(S(N)(=O)=O)ccn1)C2	ZINC001164909466	721763380	/nfs/dbraw/zinc/76/33/80/721763380.db2.gz	AKKKYJLIHVXFBF-UHFFFAOYSA-N	1	1	413.503	1.912	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(S(N)(=O)=O)n3)C[C@@H]21	ZINC001165026252	721831450	/nfs/dbraw/zinc/83/14/50/721831450.db2.gz	OKHSHESBIWJKND-BPQIPLTHSA-N	1	1	401.536	1.861	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)n2)CC1	ZINC001164922321	721840611	/nfs/dbraw/zinc/84/06/11/721840611.db2.gz	HIBHTANXCBQISD-GCJKJVERSA-N	1	1	410.522	1.293	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC001164932956	721878591	/nfs/dbraw/zinc/87/85/91/721878591.db2.gz	KJHDBJBJWMBQSP-OALUTQOASA-N	1	1	407.584	1.471	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC001164932956	721878590	/nfs/dbraw/zinc/87/85/90/721878590.db2.gz	KJHDBJBJWMBQSP-OALUTQOASA-N	1	1	407.584	1.471	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164935105	721881354	/nfs/dbraw/zinc/88/13/54/721881354.db2.gz	VZRLUGKHODHHBI-MSOLQXFVSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164935105	721881357	/nfs/dbraw/zinc/88/13/57/721881357.db2.gz	VZRLUGKHODHHBI-MSOLQXFVSA-N	1	1	409.600	1.763	20	0		HDADMO
c1ccc(OCC[NH+]2CCN(c3nc(N4CCOCC4)nc4c3CCN4)CC2)cc1	ZINC001165043775	721954592	/nfs/dbraw/zinc/95/45/92/721954592.db2.gz	ALOHQKZCUNBERU-UHFFFAOYSA-N	1	1	410.522	1.482	20	0		HDADMO
O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2	ZINC001164947674	721976229	/nfs/dbraw/zinc/97/62/29/721976229.db2.gz	QELGMLFQOCUNEX-UHFFFAOYSA-N	1	1	411.897	1.977	20	0		HDADMO
O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2	ZINC001164947674	721976230	/nfs/dbraw/zinc/97/62/30/721976230.db2.gz	QELGMLFQOCUNEX-UHFFFAOYSA-N	1	1	411.897	1.977	20	0		HDADMO
CN(C)S(=O)(=O)N1CC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]2C1	ZINC001164948833	721990027	/nfs/dbraw/zinc/99/00/27/721990027.db2.gz	FJEWTRDZFDITLI-DLBZAZTESA-N	1	1	423.583	1.119	20	0		HDADMO
CN(C)Cc1ccnc(N(C[C@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1	ZINC001164952399	721991474	/nfs/dbraw/zinc/99/14/74/721991474.db2.gz	PIUYLWQPYFFZKI-XLIONFOSSA-N	1	1	408.568	1.743	20	0		HDADMO
CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)C1	ZINC001164953308	722010860	/nfs/dbraw/zinc/01/08/60/722010860.db2.gz	DXLSNXKZLPDJSM-HTAPYJJXSA-N	1	1	417.554	1.954	20	0		HDADMO
Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@@H]23)cn1	ZINC001164958374	722032232	/nfs/dbraw/zinc/03/22/32/722032232.db2.gz	OQUXEUZJXUNYJE-TYPHKJRUSA-N	1	1	424.549	1.681	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)n2)CC1	ZINC001164956278	722034870	/nfs/dbraw/zinc/03/48/70/722034870.db2.gz	DDVMYWHUXPIBBB-XMSQKQJNSA-N	1	1	407.522	1.156	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCc4onc(COc5ccccn5)c4C3)n2)CC1	ZINC001164968434	722082936	/nfs/dbraw/zinc/08/29/36/722082936.db2.gz	CTLHIQFUBUDSJD-UHFFFAOYSA-N	1	1	407.478	1.753	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164983823	722136639	/nfs/dbraw/zinc/13/66/39/722136639.db2.gz	VKDLUISAJWZZTM-HKUYNNGSSA-N	1	1	402.520	1.607	20	0		HDADMO
O=C1CSc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2N1	ZINC001164972090	722156338	/nfs/dbraw/zinc/15/63/38/722156338.db2.gz	FKZPPNCNGPTPLM-HOTGVXAUSA-N	1	1	412.519	1.643	20	0		HDADMO
COc1ccc2c(c1)ncnc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997159	722233078	/nfs/dbraw/zinc/23/30/78/722233078.db2.gz	MRGNPWCRCOKNNY-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
CCOC(=O)c1cc(C)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996730	722233627	/nfs/dbraw/zinc/23/36/27/722233627.db2.gz	IOKZNRSAMSPGQL-UHFFFAOYSA-N	1	1	410.522	1.714	20	0		HDADMO
COC(=O)/C=C/c1cc(C)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996795	722235843	/nfs/dbraw/zinc/23/58/43/722235843.db2.gz	JDZVWTNSVCUJTA-SNAWJCMRSA-N	1	1	422.533	1.723	20	0		HDADMO
CSc1ncc(Cl)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001165002310	722236799	/nfs/dbraw/zinc/23/67/99/722236799.db2.gz	UDMBHVUYRSAQAR-UHFFFAOYSA-N	1	1	405.959	1.999	20	0		HDADMO
Cc1noc(-c2cccnc2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001165001605	722237817	/nfs/dbraw/zinc/23/78/17/722237817.db2.gz	KBOWVRAXZGODCS-UHFFFAOYSA-N	1	1	406.494	1.587	20	0		HDADMO
CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429043764	1073458383	/nfs/dbraw/zinc/45/83/83/1073458383.db2.gz	BLXFNBIILUDXFD-RYQLBKOJSA-N	1	1	413.609	1.684	20	0		HDADMO
CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429043764	1073458393	/nfs/dbraw/zinc/45/83/93/1073458393.db2.gz	BLXFNBIILUDXFD-RYQLBKOJSA-N	1	1	413.609	1.684	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1	ZINC000429048082	1073467639	/nfs/dbraw/zinc/46/76/39/1073467639.db2.gz	QRPWROFIRQESNN-UHFFFAOYSA-N	1	1	422.489	2.035	20	0		HDADMO
CCOCCN1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1	ZINC000429051835	1073479646	/nfs/dbraw/zinc/47/96/46/1073479646.db2.gz	IXCBYSHLGKNIDA-NRFANRHFSA-N	1	1	404.555	1.641	20	0		HDADMO
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC001299281974	1073514966	/nfs/dbraw/zinc/51/49/66/1073514966.db2.gz	VOUAQTDANVEDQV-WMZOPIPTSA-N	1	1	412.575	1.983	20	0		HDADMO
CN1CCN(C(=O)c2ccc(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1	ZINC000673646814	1073532231	/nfs/dbraw/zinc/53/22/31/1073532231.db2.gz	LAHFVJILWCAJHP-DEOSSOPVSA-N	1	1	422.529	1.650	20	0		HDADMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000673648521	1073534584	/nfs/dbraw/zinc/53/45/84/1073534584.db2.gz	FMWDVKUJPLQWOL-LJQANCHMSA-N	1	1	420.473	1.987	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000673650486	1073549142	/nfs/dbraw/zinc/54/91/42/1073549142.db2.gz	VOAGLPOMSRHGIV-KRWDZBQOSA-N	1	1	415.538	1.937	20	0		HDADMO
Cc1ccc(N2CCC(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)CC2)[nH+]c1	ZINC000625183108	1073550168	/nfs/dbraw/zinc/55/01/68/1073550168.db2.gz	BAPDQRCUWBTMDO-UHFFFAOYSA-N	1	1	408.506	1.449	20	0		HDADMO
COc1ccc(C(=O)NCCCC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000625182795	1073550963	/nfs/dbraw/zinc/55/09/63/1073550963.db2.gz	LKDSRJNFACPHMN-FQEVSTJZSA-N	1	1	403.523	1.919	20	0		HDADMO
O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625188466	1073553673	/nfs/dbraw/zinc/55/36/73/1073553673.db2.gz	IHWMHFNUELKTTD-SFHVURJKSA-N	1	1	413.526	1.054	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN1Cc1ccccn1	ZINC000673653113	1073576437	/nfs/dbraw/zinc/57/64/37/1073576437.db2.gz	XRMRHAAREASOTL-QFIPXVFZSA-N	1	1	408.550	1.770	20	0		HDADMO
CN(C(=O)c1ccc(F)c(F)c1F)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000429105440	1073585032	/nfs/dbraw/zinc/58/50/32/1073585032.db2.gz	UHBXSVCKMNZMFU-UHFFFAOYSA-N	1	1	412.456	1.414	20	0		HDADMO
O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000429106124	1073589701	/nfs/dbraw/zinc/58/97/01/1073589701.db2.gz	XRBGTIZWPITDSA-SJLPKXTDSA-N	1	1	412.542	1.657	20	0		HDADMO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000429105789	1073591352	/nfs/dbraw/zinc/59/13/52/1073591352.db2.gz	VVLIBYUUVSVMGN-AZUAARDMSA-N	1	1	400.571	1.908	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1	ZINC000673667420	1073619616	/nfs/dbraw/zinc/61/96/16/1073619616.db2.gz	XEGZLNMKRCTFDC-QFBILLFUSA-N	1	1	411.506	1.137	20	0		HDADMO
CN(C(=O)c1ccccc1CN1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668865	1073622366	/nfs/dbraw/zinc/62/23/66/1073622366.db2.gz	BKSPWTWVAWTTRC-NRFANRHFSA-N	1	1	400.567	1.759	20	0		HDADMO
CN(C(=O)c1ccccc1CN1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668865	1073622368	/nfs/dbraw/zinc/62/23/68/1073622368.db2.gz	BKSPWTWVAWTTRC-NRFANRHFSA-N	1	1	400.567	1.759	20	0		HDADMO
COCC[NH+]1CCN(CC(=O)Nc2ccccc2I)CC1	ZINC000302919435	1073640969	/nfs/dbraw/zinc/64/09/69/1073640969.db2.gz	YMHFJASTOCNLOP-UHFFFAOYSA-N	1	1	403.264	1.494	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCCC[C@H]2CO)c1	ZINC000673701856	1073644849	/nfs/dbraw/zinc/64/48/49/1073644849.db2.gz	QYTKTEWSBQZYSG-ZDUSSCGKSA-N	1	1	403.932	1.766	20	0		HDADMO
CCOC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1	ZINC000673710393	1073650088	/nfs/dbraw/zinc/65/00/88/1073650088.db2.gz	YXTKVYZSDBLXNF-QHAWAJNXSA-N	1	1	405.539	1.940	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000766019910	1073650733	/nfs/dbraw/zinc/65/07/33/1073650733.db2.gz	NUGIUYJMCOTBHR-IBGZPJMESA-N	1	1	419.501	1.433	20	0		HDADMO
CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1	ZINC000673713793	1073653586	/nfs/dbraw/zinc/65/35/86/1073653586.db2.gz	GCPIZOIWFYKFEK-FGZHOGPDSA-N	1	1	402.583	1.666	20	0		HDADMO
CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1	ZINC000673713793	1073653592	/nfs/dbraw/zinc/65/35/92/1073653592.db2.gz	GCPIZOIWFYKFEK-FGZHOGPDSA-N	1	1	402.583	1.666	20	0		HDADMO
CC(C)Cn1c(N)c(C(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)[nH]c1=O	ZINC000673715472	1073654225	/nfs/dbraw/zinc/65/42/25/1073654225.db2.gz	WAFSPFLBYHEUSL-KRWDZBQOSA-N	1	1	413.522	1.576	20	0		HDADMO
COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c(OC)c1	ZINC000028726147	1073671617	/nfs/dbraw/zinc/67/16/17/1073671617.db2.gz	CDJBWCJTHYAASA-IBGZPJMESA-N	1	1	418.538	1.073	20	0		HDADMO
COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c(OC)c1	ZINC000028726147	1073671628	/nfs/dbraw/zinc/67/16/28/1073671628.db2.gz	CDJBWCJTHYAASA-IBGZPJMESA-N	1	1	418.538	1.073	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C	ZINC000673748804	1073673141	/nfs/dbraw/zinc/67/31/41/1073673141.db2.gz	BXQWVDWLRMJACH-OAHLLOKOSA-N	1	1	407.474	1.771	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O	ZINC000673750379	1073693564	/nfs/dbraw/zinc/69/35/64/1073693564.db2.gz	OASLRGJCTIFZAL-HNNXBMFYSA-N	1	1	424.505	1.418	20	0		HDADMO
Cn1cnc(CNC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n1	ZINC000509135732	1073700132	/nfs/dbraw/zinc/70/01/32/1073700132.db2.gz	GSOQGXALGQIJMV-UHFFFAOYSA-N	1	1	402.499	1.304	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC(N)=O)c1	ZINC000429136559	1073745009	/nfs/dbraw/zinc/74/50/09/1073745009.db2.gz	XKEBCVGLTTVOAJ-JOCHJYFZSA-N	1	1	412.490	1.651	20	0		HDADMO
COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(OC)ccc2Br)C1	ZINC000673821313	1073765400	/nfs/dbraw/zinc/76/54/00/1073765400.db2.gz	GOWUOYREZNZGNQ-GFCCVEGCSA-N	1	1	407.330	1.847	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(OC)ccc2Br)C1	ZINC000673821313	1073765407	/nfs/dbraw/zinc/76/54/07/1073765407.db2.gz	GOWUOYREZNZGNQ-GFCCVEGCSA-N	1	1	407.330	1.847	20	0		HDADMO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000673824581	1073768263	/nfs/dbraw/zinc/76/82/63/1073768263.db2.gz	NOLTZFUIQUBFPQ-QGZVFWFLSA-N	1	1	412.519	1.947	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000673824581	1073768273	/nfs/dbraw/zinc/76/82/73/1073768273.db2.gz	NOLTZFUIQUBFPQ-QGZVFWFLSA-N	1	1	412.519	1.947	20	0		HDADMO
CNC(=O)c1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cn1C	ZINC000673824857	1073771275	/nfs/dbraw/zinc/77/12/75/1073771275.db2.gz	RQNAIMIRURVSRL-MRXNPFEDSA-N	1	1	404.536	1.670	20	0		HDADMO
CNC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cn1C	ZINC000673824857	1073771286	/nfs/dbraw/zinc/77/12/86/1073771286.db2.gz	RQNAIMIRURVSRL-MRXNPFEDSA-N	1	1	404.536	1.670	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3Cc4cccc(O)c4C3)CC2)CC1	ZINC000429147360	1073779599	/nfs/dbraw/zinc/77/95/99/1073779599.db2.gz	BJLNCDBEEPDOQQ-SFHVURJKSA-N	1	1	400.523	1.445	20	0		HDADMO
Cc1cc(C(=O)CN2CC[NH+](C[C@H]3CCCO3)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1	ZINC000673830336	1073787763	/nfs/dbraw/zinc/78/77/63/1073787763.db2.gz	YYARASPBLLYPPY-RBUKOAKNSA-N	1	1	423.579	1.444	20	0		HDADMO
Cc1cc(C(=O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1	ZINC000673830327	1073787926	/nfs/dbraw/zinc/78/79/26/1073787926.db2.gz	YYARASPBLLYPPY-MOPGFXCFSA-N	1	1	423.579	1.444	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1	ZINC000673830807	1073790072	/nfs/dbraw/zinc/79/00/72/1073790072.db2.gz	OEPNDWYCZQYMFZ-SFTDATJTSA-N	1	1	408.550	1.940	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1	ZINC000673830807	1073790079	/nfs/dbraw/zinc/79/00/79/1073790079.db2.gz	OEPNDWYCZQYMFZ-SFTDATJTSA-N	1	1	408.550	1.940	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1	ZINC000673830807	1073790085	/nfs/dbraw/zinc/79/00/85/1073790085.db2.gz	OEPNDWYCZQYMFZ-SFTDATJTSA-N	1	1	408.550	1.940	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1	ZINC000673840943	1073806664	/nfs/dbraw/zinc/80/66/64/1073806664.db2.gz	SFLKRVNXXPHNHG-SFHVURJKSA-N	1	1	409.458	1.893	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1	ZINC000673840943	1073806675	/nfs/dbraw/zinc/80/66/75/1073806675.db2.gz	SFLKRVNXXPHNHG-SFHVURJKSA-N	1	1	409.458	1.893	20	0		HDADMO
COC(=O)c1cccc(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1	ZINC000509162960	1073808455	/nfs/dbraw/zinc/80/84/55/1073808455.db2.gz	DMIIZYBYNPUSFZ-SFHVURJKSA-N	1	1	404.511	1.258	20	0		HDADMO
Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)CC2)cc1	ZINC000543492970	1073822346	/nfs/dbraw/zinc/82/23/46/1073822346.db2.gz	DHFJBHHDAJMIET-OAQYLSRUSA-N	1	1	416.566	1.290	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1	ZINC000673868432	1073846858	/nfs/dbraw/zinc/84/68/58/1073846858.db2.gz	YZCXVXNGXMRDTJ-INIZCTEOSA-N	1	1	401.511	1.039	20	0		HDADMO
O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000673878775	1073849729	/nfs/dbraw/zinc/84/97/29/1073849729.db2.gz	OTISUEMTWOIOBE-PZJWPPBQSA-N	1	1	410.518	1.958	20	0		HDADMO
COc1ccccc1C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C	ZINC000673912486	1073885032	/nfs/dbraw/zinc/88/50/32/1073885032.db2.gz	JOEKYEMXSADAON-NHCUHLMSSA-N	1	1	418.582	1.968	20	0		HDADMO
CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000670435838	1073945009	/nfs/dbraw/zinc/94/50/09/1073945009.db2.gz	BRTVMJVHTXIETL-WMLDXEAASA-N	1	1	410.540	1.255	20	0		HDADMO
COC[C@H](NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)c1ccc(F)cc1	ZINC000466567686	1073955033	/nfs/dbraw/zinc/95/50/33/1073955033.db2.gz	STPWJIUILBJBHX-SFTDATJTSA-N	1	1	422.545	1.950	20	0		HDADMO
O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)NC1CCN(c2cccnn2)CC1	ZINC000429179240	1073967856	/nfs/dbraw/zinc/96/78/56/1073967856.db2.gz	GZWCVGOAULPHRV-QFIPXVFZSA-N	1	1	410.522	1.382	20	0		HDADMO
C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000543518652	1073974786	/nfs/dbraw/zinc/97/47/86/1073974786.db2.gz	YCTCMSOCQHCUFL-STQMWFEESA-N	1	1	410.434	1.888	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1	ZINC000030921327	1073977838	/nfs/dbraw/zinc/97/78/38/1073977838.db2.gz	GYJIDULLVQAZDL-QKLQHJQFSA-N	1	1	401.507	1.475	20	0		HDADMO
C[NH+]1CCN([C@@H](C(=O)NCc2nc(CN3CCCCC3)no2)c2ccccc2)CC1	ZINC000670445814	1073996897	/nfs/dbraw/zinc/99/68/97/1073996897.db2.gz	SKPYHCURERRWOI-OAQYLSRUSA-N	1	1	412.538	1.660	20	0		HDADMO
Cc1cccc(CCCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1	ZINC000509186939	1074001640	/nfs/dbraw/zinc/00/16/40/1074001640.db2.gz	UUBUYUSPHHSNSJ-UHFFFAOYSA-N	1	1	401.555	1.908	20	0		HDADMO
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000509188407	1074002845	/nfs/dbraw/zinc/00/28/45/1074002845.db2.gz	ZUQDOVPPTQHMJD-GOSISDBHSA-N	1	1	412.538	1.495	20	0		HDADMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000543524644	1074004847	/nfs/dbraw/zinc/00/48/47/1074004847.db2.gz	MKCARFXTOYYAEO-GASCZTMLSA-N	1	1	422.551	1.445	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)[N@H+]1CCCC[C@@H]1C	ZINC000543533360	1074029192	/nfs/dbraw/zinc/02/91/92/1074029192.db2.gz	UBJWUWHHCLRYGK-GJZGRUSLSA-N	1	1	422.551	1.445	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)[N@H+]1CCCC[C@H]1C	ZINC000543533363	1074029237	/nfs/dbraw/zinc/02/92/37/1074029237.db2.gz	UBJWUWHHCLRYGK-HUUCEWRRSA-N	1	1	422.551	1.445	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000543535331	1074035634	/nfs/dbraw/zinc/03/56/34/1074035634.db2.gz	XGLSIYOXFNDSOD-GJZGRUSLSA-N	1	1	422.551	1.184	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000466589068	1074040622	/nfs/dbraw/zinc/04/06/22/1074040622.db2.gz	VQFDHECIXUYIKD-OXQOHEQNSA-N	1	1	420.579	1.763	20	0		HDADMO
CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1	ZINC001299292254	1074047035	/nfs/dbraw/zinc/04/70/35/1074047035.db2.gz	UGFDOKHAHMKHSG-RHSMWYFYSA-N	1	1	404.540	1.216	20	0		HDADMO
O=C(C(=O)N1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1)N1CCOCC1	ZINC000674004873	1074047147	/nfs/dbraw/zinc/04/71/47/1074047147.db2.gz	PKVCLGNZTJMVFS-UHFFFAOYSA-N	1	1	413.440	1.641	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccco1	ZINC000543544993	1074060159	/nfs/dbraw/zinc/06/01/59/1074060159.db2.gz	GLCCPEMFCXGBSB-INIZCTEOSA-N	1	1	420.491	1.078	20	0		HDADMO
CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c(C)c1	ZINC000484663344	1074067533	/nfs/dbraw/zinc/06/75/33/1074067533.db2.gz	MEVCQJJCYZDPJI-UHFFFAOYSA-N	1	1	409.490	1.735	20	0		HDADMO
O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000674038856	1074109592	/nfs/dbraw/zinc/10/95/92/1074109592.db2.gz	FAXJBWOWTYIOLP-INIZCTEOSA-N	1	1	402.886	1.519	20	0		HDADMO
C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)cc2)C1	ZINC000674041060	1074127342	/nfs/dbraw/zinc/12/73/42/1074127342.db2.gz	HKTSKSBJYYIDTP-HNNXBMFYSA-N	1	1	409.552	1.796	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC2(CCOCC2)[C@@H]1C	ZINC000543575161	1074146586	/nfs/dbraw/zinc/14/65/86/1074146586.db2.gz	YBMGDFOBNFYTJP-XHSDSOJGSA-N	1	1	409.552	1.791	20	0		HDADMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1	ZINC000674055915	1074148210	/nfs/dbraw/zinc/14/82/10/1074148210.db2.gz	IRUMWJULHZYECH-ZBFHGGJFSA-N	1	1	409.556	1.926	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCC1	ZINC000674091305	1074181328	/nfs/dbraw/zinc/18/13/28/1074181328.db2.gz	MHZBPEYLPSODFG-ROUUACIJSA-N	1	1	417.554	1.137	20	0		HDADMO
Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)c(C)c1	ZINC000484982442	1074186761	/nfs/dbraw/zinc/18/67/61/1074186761.db2.gz	ZJINACXZVWUXFW-UHFFFAOYSA-N	1	1	402.539	1.999	20	0		HDADMO
Cn1ccnc1-c1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000674190622	1074204798	/nfs/dbraw/zinc/20/47/98/1074204798.db2.gz	ORNYXVRULTVJEF-IBGZPJMESA-N	1	1	411.506	1.739	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1	ZINC000674193584	1074208012	/nfs/dbraw/zinc/20/80/12/1074208012.db2.gz	ALCCBEHYYDXKLY-IBGZPJMESA-N	1	1	424.501	1.612	20	0		HDADMO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1	ZINC000674182568	1074216180	/nfs/dbraw/zinc/21/61/80/1074216180.db2.gz	PXHKGLGVENOPNK-YADHBBJMSA-N	1	1	416.566	1.384	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCC[C@@H](CCO)C2)C[C@H](C)O1	ZINC000674205612	1074220821	/nfs/dbraw/zinc/22/08/21/1074220821.db2.gz	IUXAQNQFYXDZKF-KSZLIROESA-N	1	1	403.523	1.855	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCC[C@@H](CCO)C2)C[C@H](C)O1	ZINC000674205612	1074220826	/nfs/dbraw/zinc/22/08/26/1074220826.db2.gz	IUXAQNQFYXDZKF-KSZLIROESA-N	1	1	403.523	1.855	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCC	ZINC000674229313	1074235779	/nfs/dbraw/zinc/23/57/79/1074235779.db2.gz	BIRSBDJSTPCUEO-MRXNPFEDSA-N	1	1	405.495	1.603	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)nc(C)[nH+]1	ZINC000674229274	1074235845	/nfs/dbraw/zinc/23/58/45/1074235845.db2.gz	ARQIMMFBODEMDP-UHFFFAOYSA-N	1	1	414.441	1.055	20	0		HDADMO
CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C	ZINC000674230883	1074236452	/nfs/dbraw/zinc/23/64/52/1074236452.db2.gz	SQUMJHJYUBZJOT-KRWDZBQOSA-N	1	1	402.495	1.381	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000674270812	1074250484	/nfs/dbraw/zinc/25/04/84/1074250484.db2.gz	JBNTWGYBICZXFX-IAGOWNOFSA-N	1	1	414.531	1.741	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000674274759	1074253943	/nfs/dbraw/zinc/25/39/43/1074253943.db2.gz	ZCMZYSGSNNQYRA-LPHOPBHVSA-N	1	1	419.957	1.913	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000674274759	1074253946	/nfs/dbraw/zinc/25/39/46/1074253946.db2.gz	ZCMZYSGSNNQYRA-LPHOPBHVSA-N	1	1	419.957	1.913	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000674274761	1074253980	/nfs/dbraw/zinc/25/39/80/1074253980.db2.gz	ZCMZYSGSNNQYRA-VQIMIIECSA-N	1	1	419.957	1.913	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000674274761	1074253986	/nfs/dbraw/zinc/25/39/86/1074253986.db2.gz	ZCMZYSGSNNQYRA-VQIMIIECSA-N	1	1	419.957	1.913	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC1	ZINC000674276866	1074258783	/nfs/dbraw/zinc/25/87/83/1074258783.db2.gz	KTBKSFDRIAHMFY-MSOLQXFVSA-N	1	1	416.515	1.079	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC1	ZINC000674276866	1074258793	/nfs/dbraw/zinc/25/87/93/1074258793.db2.gz	KTBKSFDRIAHMFY-MSOLQXFVSA-N	1	1	416.515	1.079	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)C1	ZINC000674299636	1074263794	/nfs/dbraw/zinc/26/37/94/1074263794.db2.gz	RORBQLQILHIWPI-RTBURBONSA-N	1	1	419.957	1.867	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc2)CC1	ZINC000674324185	1074272753	/nfs/dbraw/zinc/27/27/53/1074272753.db2.gz	PTMSUVJKNPHFHS-UHFFFAOYSA-N	1	1	424.567	1.050	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)NCCCN2CCCS2(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000674329177	1074278021	/nfs/dbraw/zinc/27/80/21/1074278021.db2.gz	YWASXBDTPXTHMM-PKOBYXMFSA-N	1	1	408.568	1.764	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCNC(=O)C[C@@H]3C)cc2)CC1	ZINC000674319220	1074279457	/nfs/dbraw/zinc/27/94/57/1074279457.db2.gz	SSJOOHAMVYTKFG-INIZCTEOSA-N	1	1	401.511	1.136	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCc3nnnn3C3CC3)cc2)CC1	ZINC000674318690	1074280543	/nfs/dbraw/zinc/28/05/43/1074280543.db2.gz	CNUUAMJGAMDOPH-UHFFFAOYSA-N	1	1	412.498	1.036	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C3CC3)cc2)CC1	ZINC000674320696	1074282815	/nfs/dbraw/zinc/28/28/15/1074282815.db2.gz	PWQGOUIELPBBRB-HXUWFJFHSA-N	1	1	412.534	1.733	20	0		HDADMO
COC1CC[NH+](CCNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1	ZINC000674333900	1074282948	/nfs/dbraw/zinc/28/29/48/1074282948.db2.gz	QQGNCXUFHQMIEM-UHFFFAOYSA-N	1	1	423.457	1.368	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1	ZINC000674357920	1074291025	/nfs/dbraw/zinc/29/10/25/1074291025.db2.gz	FQGSVULEDCCNIT-LJQANCHMSA-N	1	1	412.465	1.531	20	0		HDADMO
COC(=O)N(C)Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1	ZINC000766061138	1074306487	/nfs/dbraw/zinc/30/64/87/1074306487.db2.gz	MNXPDIBTBZGRHM-GOSISDBHSA-N	1	1	417.510	1.655	20	0		HDADMO
CCC(CC)(CO)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674382657	1074306958	/nfs/dbraw/zinc/30/69/58/1074306958.db2.gz	QNXFCRAUXBDACJ-UHFFFAOYSA-N	1	1	405.543	1.569	20	0		HDADMO
COc1cc2[nH+]c(NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)nc(N)c2cc1OC	ZINC000674413267	1074313576	/nfs/dbraw/zinc/31/35/76/1074313576.db2.gz	FCTJWDRVFJKJML-DGIBIBHMSA-N	1	1	400.439	1.362	20	0		HDADMO
C[C@@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[N@@H+]1CCc2sccc2C1	ZINC000674423679	1074326617	/nfs/dbraw/zinc/32/66/17/1074326617.db2.gz	AJAHGAOEANUNTC-AWEZNQCLSA-N	1	1	400.570	1.172	20	0		HDADMO
C[C@@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[N@H+]1CCc2sccc2C1	ZINC000674423679	1074326622	/nfs/dbraw/zinc/32/66/22/1074326622.db2.gz	AJAHGAOEANUNTC-AWEZNQCLSA-N	1	1	400.570	1.172	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1=O	ZINC000674425290	1074327000	/nfs/dbraw/zinc/32/70/00/1074327000.db2.gz	YVQMHOCGJAIHTD-GCJKJVERSA-N	1	1	413.522	1.455	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000674436864	1074334182	/nfs/dbraw/zinc/33/41/82/1074334182.db2.gz	BQXSWPDUOPKWOH-XMSQKQJNSA-N	1	1	413.522	1.277	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1	ZINC000674431642	1074343334	/nfs/dbraw/zinc/34/33/34/1074343334.db2.gz	SUIKMFSTNHZRGE-SDDRHHMPSA-N	1	1	418.382	1.956	20	0		HDADMO
C[N@H+](CCN1CCCS1(=O)=O)C[C@H](O)COc1ccc(Br)cc1	ZINC000674462202	1074363291	/nfs/dbraw/zinc/36/32/91/1074363291.db2.gz	PFGZKMJIPKEMCL-AWEZNQCLSA-N	1	1	407.330	1.156	20	0		HDADMO
C[N@@H+](CCN1CCCS1(=O)=O)C[C@H](O)COc1ccc(Br)cc1	ZINC000674462202	1074363294	/nfs/dbraw/zinc/36/32/94/1074363294.db2.gz	PFGZKMJIPKEMCL-AWEZNQCLSA-N	1	1	407.330	1.156	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)CCN2C1=O	ZINC000674468325	1074365285	/nfs/dbraw/zinc/36/52/85/1074365285.db2.gz	NZNGIKDLKDRRJW-GXTWGEPZSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccc(OC)c(F)c3)CCN2C1=O	ZINC000674470318	1074367869	/nfs/dbraw/zinc/36/78/69/1074367869.db2.gz	TVALJLBWDWQTRN-BBRMVZONSA-N	1	1	406.458	1.150	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)Cc3ccc(OC)c(F)c3)CCN2C1=O	ZINC000674470318	1074367874	/nfs/dbraw/zinc/36/78/74/1074367874.db2.gz	TVALJLBWDWQTRN-BBRMVZONSA-N	1	1	406.458	1.150	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2N)CC[N@H+]1Cc1ccccc1	ZINC000670473581	1074380984	/nfs/dbraw/zinc/38/09/84/1074380984.db2.gz	PAMHNFNWKHVKEF-SJLPKXTDSA-N	1	1	416.547	1.716	20	0		HDADMO
CCN(C(=O)C[N@H+]1CCC[C@@H]1COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000674500193	1074392623	/nfs/dbraw/zinc/39/26/23/1074392623.db2.gz	QZDLWEZYGOWJPZ-MRXNPFEDSA-N	1	1	415.494	1.043	20	0		HDADMO
COC[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000674499699	1074393069	/nfs/dbraw/zinc/39/30/69/1074393069.db2.gz	FDQQPLVAAAKABX-GOSISDBHSA-N	1	1	421.563	1.861	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000674499699	1074393077	/nfs/dbraw/zinc/39/30/77/1074393077.db2.gz	FDQQPLVAAAKABX-GOSISDBHSA-N	1	1	421.563	1.861	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	ZINC000674499918	1074393191	/nfs/dbraw/zinc/39/31/91/1074393191.db2.gz	JGDWODQZOCQKAL-IBGZPJMESA-N	1	1	402.539	1.497	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CCN2C1=O	ZINC000674500462	1074393214	/nfs/dbraw/zinc/39/32/14/1074393214.db2.gz	DHDGTKATWVMEPJ-SFHVURJKSA-N	1	1	424.505	1.786	20	0		HDADMO
COCCOc1ccccc1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000141172730	1074405244	/nfs/dbraw/zinc/40/52/44/1074405244.db2.gz	VZFGRPUNOXPBII-UHFFFAOYSA-N	1	1	419.522	1.802	20	0		HDADMO
Cn1c2ncn(CC[NH+]3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2c(=O)n(C)c1=O	ZINC000674497440	1074408671	/nfs/dbraw/zinc/40/86/71/1074408671.db2.gz	RMAZUIYUTYKCOD-IUCAKERBSA-N	1	1	413.322	1.106	20	0		HDADMO
CC(C)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	ZINC000674514865	1074411898	/nfs/dbraw/zinc/41/18/98/1074411898.db2.gz	KVKPEDWEQOYTIF-UAFMIMERSA-N	1	1	419.566	1.825	20	0		HDADMO
Cc1nc(C[NH+]2CCC(C(=O)N(C)CCN3CCCS3(=O)=O)CC2)cs1	ZINC000674520795	1074417802	/nfs/dbraw/zinc/41/78/02/1074417802.db2.gz	NIGSLSCEGXQWDG-UHFFFAOYSA-N	1	1	400.570	1.157	20	0		HDADMO
COCCC(C)(C)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674563638	1074441149	/nfs/dbraw/zinc/44/11/49/1074441149.db2.gz	CGJYXJVJYJEDDJ-UHFFFAOYSA-N	1	1	405.543	1.833	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC[C@@H](C)[NH+]1CCN(c3ccccc3)CC1)CC2	ZINC000674615618	1074485983	/nfs/dbraw/zinc/48/59/83/1074485983.db2.gz	YJMZGAZYICKEFQ-GOSISDBHSA-N	1	1	424.549	1.542	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC(Cc2ccccc2Cl)C1	ZINC000674631529	1074494491	/nfs/dbraw/zinc/49/44/91/1074494491.db2.gz	QONNBUNCAZQYFN-IBGZPJMESA-N	1	1	406.958	1.930	20	0		HDADMO
CCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000674631193	1074494828	/nfs/dbraw/zinc/49/48/28/1074494828.db2.gz	MKJPSZOZFCYIFE-WIYYLYMNSA-N	1	1	413.566	1.992	20	0		HDADMO
CCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000674631193	1074494838	/nfs/dbraw/zinc/49/48/38/1074494838.db2.gz	MKJPSZOZFCYIFE-WIYYLYMNSA-N	1	1	413.566	1.992	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)C2)CC1	ZINC000674631105	1074495134	/nfs/dbraw/zinc/49/51/34/1074495134.db2.gz	LLVFXYYHWVHNHT-SJLPKXTDSA-N	1	1	407.946	1.724	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)C2)CC1	ZINC000674631105	1074495137	/nfs/dbraw/zinc/49/51/37/1074495137.db2.gz	LLVFXYYHWVHNHT-SJLPKXTDSA-N	1	1	407.946	1.724	20	0		HDADMO
O=C(NCc1c(F)cccc1OC(F)F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674632148	1074496024	/nfs/dbraw/zinc/49/60/24/1074496024.db2.gz	ZRFFXWDRMSIGCP-AWEZNQCLSA-N	1	1	416.444	1.633	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1Oc2ccccc2[C@H]1C	ZINC000674631745	1074496166	/nfs/dbraw/zinc/49/61/66/1074496166.db2.gz	URBSRGNNBHQRLI-BMQTXXJKSA-N	1	1	402.539	1.645	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000674667122	1074512028	/nfs/dbraw/zinc/51/20/28/1074512028.db2.gz	AENNDFIPUJFMPY-KRWDZBQOSA-N	1	1	423.579	1.596	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000674667122	1074512040	/nfs/dbraw/zinc/51/20/40/1074512040.db2.gz	AENNDFIPUJFMPY-KRWDZBQOSA-N	1	1	423.579	1.596	20	0		HDADMO
C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674672474	1074516176	/nfs/dbraw/zinc/51/61/76/1074516176.db2.gz	QMFVUVPVVAPNGJ-VGOFRKELSA-N	1	1	416.543	1.947	20	0		HDADMO
C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674667912	1074519236	/nfs/dbraw/zinc/51/92/36/1074519236.db2.gz	PPIHCTFWBCWTOL-HKUYNNGSSA-N	1	1	407.580	1.822	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3(C)CCOCC3)cc2)CC1	ZINC000674682801	1074522849	/nfs/dbraw/zinc/52/28/49/1074522849.db2.gz	YDBXWZPEVMRCSG-UHFFFAOYSA-N	1	1	416.522	1.336	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H](C)CO[C@@H]3CCOC3)cc2)CC1	ZINC000674695877	1074526827	/nfs/dbraw/zinc/52/68/27/1074526827.db2.gz	RXAVHXJCGIEKDL-VQIMIIECSA-N	1	1	404.511	1.780	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC(CS(C)(=O)=O)CC3)CC2)cc1	ZINC000429239215	1074526921	/nfs/dbraw/zinc/52/69/21/1074526921.db2.gz	GMXUERJZHISRSA-UHFFFAOYSA-N	1	1	421.607	1.786	20	0		HDADMO
O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)NCc1ccccc1CN1CCOCC1	ZINC000429239036	1074530843	/nfs/dbraw/zinc/53/08/43/1074530843.db2.gz	SPOCRIXJDNOXOL-QFIPXVFZSA-N	1	1	401.551	1.884	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000674707635	1074535652	/nfs/dbraw/zinc/53/56/52/1074535652.db2.gz	NCUIRHFXDKOSRQ-QGZVFWFLSA-N	1	1	407.511	1.979	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCCOC[C@@H]3CCOC3)C2)cc(OC)c1	ZINC000674777045	1074553314	/nfs/dbraw/zinc/55/33/14/1074553314.db2.gz	HBAFKGBLGVRQHQ-SJLPKXTDSA-N	1	1	407.511	1.630	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCCOC[C@@H]3CCOC3)C2)cc(OC)c1	ZINC000674777045	1074553320	/nfs/dbraw/zinc/55/33/20/1074553320.db2.gz	HBAFKGBLGVRQHQ-SJLPKXTDSA-N	1	1	407.511	1.630	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)C1	ZINC000674763776	1074559031	/nfs/dbraw/zinc/55/90/31/1074559031.db2.gz	IPLYYTFYDBMISU-LJQANCHMSA-N	1	1	404.474	1.939	20	0		HDADMO
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674782878	1074563980	/nfs/dbraw/zinc/56/39/80/1074563980.db2.gz	ALZGRZGBPSYKMN-IRXDYDNUSA-N	1	1	423.508	1.249	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CCN(c2cccs2)CC1	ZINC000674783953	1074564267	/nfs/dbraw/zinc/56/42/67/1074564267.db2.gz	XOAYWABJHNCSQE-KRWDZBQOSA-N	1	1	407.584	1.959	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)CNC(=O)c3ccccc3C(F)(F)F)CC2)C1	ZINC000674800816	1074569797	/nfs/dbraw/zinc/56/97/97/1074569797.db2.gz	VGKAIQQLZPGHIA-HNNXBMFYSA-N	1	1	412.456	1.674	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(-n4cnnn4)c(C)c3)C2)cc(OC)c1	ZINC000674839053	1074585514	/nfs/dbraw/zinc/58/55/14/1074585514.db2.gz	NIMRQKDJBNJXDH-SFHVURJKSA-N	1	1	422.489	1.992	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(-n4cnnn4)c(C)c3)C2)cc(OC)c1	ZINC000674839053	1074585521	/nfs/dbraw/zinc/58/55/21/1074585521.db2.gz	NIMRQKDJBNJXDH-SFHVURJKSA-N	1	1	422.489	1.992	20	0		HDADMO
CCn1c(CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)nc2ccccc21	ZINC000785474639	1074588339	/nfs/dbraw/zinc/58/83/39/1074588339.db2.gz	RCCAGBKBRYAYOX-LJQANCHMSA-N	1	1	414.554	1.061	20	0		HDADMO
CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1	ZINC000674898641	1074605640	/nfs/dbraw/zinc/60/56/40/1074605640.db2.gz	RZZCSFRBUGCBBL-KUHUBIRLSA-N	1	1	410.474	1.973	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@@H]([C@H]4CCCO4)C3)CC2)cc1	ZINC000674913852	1074612059	/nfs/dbraw/zinc/61/20/59/1074612059.db2.gz	QWMJXFVJWQMVIA-FGZHOGPDSA-N	1	1	417.550	1.609	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCO[C@H]([C@@H]3CCCO3)C2)CC1	ZINC000674914096	1074612991	/nfs/dbraw/zinc/61/29/91/1074612991.db2.gz	XUWAZRMFWJGJLW-VXKWHMMOSA-N	1	1	401.551	1.909	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@]4(CCOC4)C3)cc2)CC1	ZINC000675002348	1074683321	/nfs/dbraw/zinc/68/33/21/1074683321.db2.gz	AYJVJHJCSQLESB-JOCHJYFZSA-N	1	1	414.506	1.042	20	0		HDADMO
CC(=O)c1cn(CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)nn1	ZINC001128932298	1074693189	/nfs/dbraw/zinc/69/31/89/1074693189.db2.gz	RRGNLRRXUKCNJG-UHFFFAOYSA-N	1	1	422.287	1.029	20	0		HDADMO
COc1cccc(COC[C@@H](O)C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c1	ZINC000675094268	1074706762	/nfs/dbraw/zinc/70/67/62/1074706762.db2.gz	XLLKPODWNSFREP-FQEVSTJZSA-N	1	1	405.539	1.203	20	0		HDADMO
COC(=O)COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc12	ZINC000429314328	1074709416	/nfs/dbraw/zinc/70/94/16/1074709416.db2.gz	RVMUSMJXXARGIS-OAHLLOKOSA-N	1	1	401.463	1.922	20	0		HDADMO
COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc12	ZINC000429314328	1074709424	/nfs/dbraw/zinc/70/94/24/1074709424.db2.gz	RVMUSMJXXARGIS-OAHLLOKOSA-N	1	1	401.463	1.922	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)nn1-c1ccccc1Cl	ZINC000540742857	1074714567	/nfs/dbraw/zinc/71/45/67/1074714567.db2.gz	UTJJBVJCRRNTPJ-UHFFFAOYSA-N	1	1	419.913	1.688	20	0		HDADMO
O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675103584	1074719893	/nfs/dbraw/zinc/71/98/93/1074719893.db2.gz	XPZGRCWBCXGHSJ-IRXDYDNUSA-N	1	1	422.961	1.019	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000448491810	1074725759	/nfs/dbraw/zinc/72/57/59/1074725759.db2.gz	WXMDYWYLLVIYPK-UHFFFAOYSA-N	1	1	409.412	1.949	20	0		HDADMO
O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000556206314	1074730594	/nfs/dbraw/zinc/73/05/94/1074730594.db2.gz	KYGNIIIUALRHEE-ZDUSSCGKSA-N	1	1	413.444	1.619	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1	ZINC000675127026	1074731219	/nfs/dbraw/zinc/73/12/19/1074731219.db2.gz	YSKALNPUPRTBKE-OXJNMPFZSA-N	1	1	408.502	1.693	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1	ZINC000675127038	1074731275	/nfs/dbraw/zinc/73/12/75/1074731275.db2.gz	YXYSGCCBWJNMSC-SJLPKXTDSA-N	1	1	404.474	1.985	20	0		HDADMO
O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000560021951	1074731401	/nfs/dbraw/zinc/73/14/01/1074731401.db2.gz	MYOBJSNQYIIZLF-GJZGRUSLSA-N	1	1	413.444	1.762	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@H](C)O1	ZINC000675127933	1074732787	/nfs/dbraw/zinc/73/27/87/1074732787.db2.gz	MTLRYUXGMNLROC-LRNSACPNSA-N	1	1	403.523	1.902	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@H](C)O1	ZINC000675127933	1074732795	/nfs/dbraw/zinc/73/27/95/1074732795.db2.gz	MTLRYUXGMNLROC-LRNSACPNSA-N	1	1	403.523	1.902	20	0		HDADMO
C[NH+](C)CCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000675145074	1074743942	/nfs/dbraw/zinc/74/39/42/1074743942.db2.gz	ZZLSKPPAUZDPKB-QGZVFWFLSA-N	1	1	403.508	1.411	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)nn1-c1cccc(Cl)c1	ZINC000537440763	1074746536	/nfs/dbraw/zinc/74/65/36/1074746536.db2.gz	ZLRWJUMSQFYIOY-UHFFFAOYSA-N	1	1	407.927	1.938	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000675157999	1074747619	/nfs/dbraw/zinc/74/76/19/1074747619.db2.gz	PASMGAVEJGFCJI-QGZVFWFLSA-N	1	1	420.941	1.425	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1	ZINC000675175496	1074749373	/nfs/dbraw/zinc/74/93/73/1074749373.db2.gz	KHJSBUPDTWTNAS-UHFFFAOYSA-N	1	1	421.973	1.720	20	0		HDADMO
Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)cc1	ZINC000675189507	1074752571	/nfs/dbraw/zinc/75/25/71/1074752571.db2.gz	KGCLUGKPMRCFNJ-HSALFYBXSA-N	1	1	412.534	1.155	20	0		HDADMO
O=C(NCCNc1cnccn1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000482907353	1074755037	/nfs/dbraw/zinc/75/50/37/1074755037.db2.gz	ZDOAIOGBLVEQLJ-UHFFFAOYSA-N	1	1	403.918	1.663	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@H+]1Cc1ccccc1	ZINC000466668072	1074762130	/nfs/dbraw/zinc/76/21/30/1074762130.db2.gz	CIMGLACEVYJRSI-WBVHZDCISA-N	1	1	405.462	1.380	20	0		HDADMO
CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000675226687	1074766121	/nfs/dbraw/zinc/76/61/21/1074766121.db2.gz	VMCJEDTWWWXJHI-LJQANCHMSA-N	1	1	400.502	1.706	20	0		HDADMO
CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675226687	1074766134	/nfs/dbraw/zinc/76/61/34/1074766134.db2.gz	VMCJEDTWWWXJHI-LJQANCHMSA-N	1	1	400.502	1.706	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000675252138	1074769518	/nfs/dbraw/zinc/76/95/18/1074769518.db2.gz	SZWBPZYRZGPWEM-ORAYPTAESA-N	1	1	417.535	1.491	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000675252138	1074769522	/nfs/dbraw/zinc/76/95/22/1074769522.db2.gz	SZWBPZYRZGPWEM-ORAYPTAESA-N	1	1	417.535	1.491	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429326490	1074777603	/nfs/dbraw/zinc/77/76/03/1074777603.db2.gz	IHVJOAZTWVEUCU-ROUUACIJSA-N	1	1	401.555	1.896	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000675254522	1074778859	/nfs/dbraw/zinc/77/88/59/1074778859.db2.gz	JVQZCKPHFPEOHB-OALUTQOASA-N	1	1	403.527	1.105	20	0		HDADMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000675290925	1074782113	/nfs/dbraw/zinc/78/21/13/1074782113.db2.gz	FWORZXXYAVHROR-OALUTQOASA-N	1	1	418.513	1.376	20	0		HDADMO
COc1nn(C)c2nc(C)c(CCC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)c(C)c12	ZINC000675281780	1074786596	/nfs/dbraw/zinc/78/65/96/1074786596.db2.gz	UBWCAAXHHNISBH-MRXNPFEDSA-N	1	1	401.511	1.459	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000675297510	1074791270	/nfs/dbraw/zinc/79/12/70/1074791270.db2.gz	TYQPZRCEISHKDO-SFHVURJKSA-N	1	1	416.547	1.787	20	0		HDADMO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000477091024	1074791284	/nfs/dbraw/zinc/79/12/84/1074791284.db2.gz	AXTLRMIJQNYOGW-QRVBRYPASA-N	1	1	418.582	1.759	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675304899	1074793383	/nfs/dbraw/zinc/79/33/83/1074793383.db2.gz	HTKZTVGXKVUBFI-WMZOPIPTSA-N	1	1	420.941	1.942	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[N@H+]1CCC[C@@H](C)C1	ZINC000675317763	1074797780	/nfs/dbraw/zinc/79/77/80/1074797780.db2.gz	BAFHFANKJPBFAB-RVKKMQEKSA-N	1	1	420.941	1.798	20	0		HDADMO
CCC1(CC)CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1	ZINC000479040783	1074801807	/nfs/dbraw/zinc/80/18/07/1074801807.db2.gz	NWSZSCYHJBIMGR-UHFFFAOYSA-N	1	1	400.483	1.934	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000142929924	1074815643	/nfs/dbraw/zinc/81/56/43/1074815643.db2.gz	PMKDMJJKQADIAB-MRXNPFEDSA-N	1	1	417.531	1.793	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000142929924	1074815649	/nfs/dbraw/zinc/81/56/49/1074815649.db2.gz	PMKDMJJKQADIAB-MRXNPFEDSA-N	1	1	417.531	1.793	20	0		HDADMO
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cn1c[nH+]c2c1CCCC2	ZINC000543622517	1074817017	/nfs/dbraw/zinc/81/70/17/1074817017.db2.gz	SSALJPITJRSHKA-HNNXBMFYSA-N	1	1	409.490	1.984	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cn1c[nH+]c2c1CCCC2	ZINC000543622518	1074817156	/nfs/dbraw/zinc/81/71/56/1074817156.db2.gz	SSALJPITJRSHKA-OAHLLOKOSA-N	1	1	409.490	1.984	20	0		HDADMO
COCCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2S1(=O)=O	ZINC000766110958	1074819037	/nfs/dbraw/zinc/81/90/37/1074819037.db2.gz	VUMXQDDTRKANFA-WBVHZDCISA-N	1	1	421.519	1.034	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1	ZINC000675372900	1075091599	/nfs/dbraw/zinc/09/15/99/1075091599.db2.gz	MVWGHXIHZPNJBI-UHFFFAOYSA-N	1	1	414.503	1.044	20	0		HDADMO
CSc1nc2nc(C)c(CC(=O)NCCCCN3CC[NH+](C)CC3)c(C)n2n1	ZINC000041349184	1075091649	/nfs/dbraw/zinc/09/16/49/1075091649.db2.gz	JPXSGLOHPXCCKQ-UHFFFAOYSA-N	1	1	405.572	1.149	20	0		HDADMO
CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000785479155	1075093739	/nfs/dbraw/zinc/09/37/39/1075093739.db2.gz	GWYCBGGIIUVDRJ-UHFFFAOYSA-N	1	1	416.909	1.842	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc(C)cc3-c3ccnn3C)CC2)no1	ZINC000549786930	1075117714	/nfs/dbraw/zinc/11/77/14/1075117714.db2.gz	OKSPDRJYHFHNJN-UHFFFAOYSA-N	1	1	408.506	2.448	20	0		HDADMO
CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000509331301	1075120898	/nfs/dbraw/zinc/12/08/98/1075120898.db2.gz	MBELYLFKUIJBGF-LBPRGKRZSA-N	1	1	419.345	1.386	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)n1	ZINC000675396405	1075123579	/nfs/dbraw/zinc/12/35/79/1075123579.db2.gz	HTFKYINXVWOQNG-QGZVFWFLSA-N	1	1	412.538	1.573	20	0		HDADMO
CCC[NH+]1CCN(C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1	ZINC000490388822	1075123839	/nfs/dbraw/zinc/12/38/39/1075123839.db2.gz	ZYXCZPRYOOCABX-UHFFFAOYSA-N	1	1	410.400	1.779	20	0		HDADMO
CN1C(=O)c2ccc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2C1=O	ZINC000429341254	1075123854	/nfs/dbraw/zinc/12/38/54/1075123854.db2.gz	ZGMWSGRWCTWQFI-GOSISDBHSA-N	1	1	407.470	1.933	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1	ZINC000675396994	1075125557	/nfs/dbraw/zinc/12/55/57/1075125557.db2.gz	MNOYSMNBPLZELE-GOSISDBHSA-N	1	1	412.538	1.575	20	0		HDADMO
CCCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000675402863	1075127840	/nfs/dbraw/zinc/12/78/40/1075127840.db2.gz	FDQUFIRKRRBHKK-QGZVFWFLSA-N	1	1	406.502	1.791	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)n1	ZINC000675404523	1075129952	/nfs/dbraw/zinc/12/99/52/1075129952.db2.gz	SKOCQBGHCQRCFF-SFHVURJKSA-N	1	1	412.538	1.575	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)n1	ZINC000675404522	1075129992	/nfs/dbraw/zinc/12/99/92/1075129992.db2.gz	SKOCQBGHCQRCFF-GOSISDBHSA-N	1	1	412.538	1.575	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466677123	1075137662	/nfs/dbraw/zinc/13/76/62/1075137662.db2.gz	CTKYUXKOLYSEDL-CRAIPNDOSA-N	1	1	421.501	1.595	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1F	ZINC000429345053	1075146338	/nfs/dbraw/zinc/14/63/38/1075146338.db2.gz	BJXVYKVVFUULBB-KBPBESRZSA-N	1	1	424.473	1.037	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1F	ZINC000429345053	1075146341	/nfs/dbraw/zinc/14/63/41/1075146341.db2.gz	BJXVYKVVFUULBB-KBPBESRZSA-N	1	1	424.473	1.037	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000143814401	1075147123	/nfs/dbraw/zinc/14/71/23/1075147123.db2.gz	HQFYGKCNAPVCHE-GOSISDBHSA-N	1	1	402.495	1.943	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000143814401	1075147128	/nfs/dbraw/zinc/14/71/28/1075147128.db2.gz	HQFYGKCNAPVCHE-GOSISDBHSA-N	1	1	402.495	1.943	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@@]2(CCOC2)O1	ZINC000670525380	1075147222	/nfs/dbraw/zinc/14/72/22/1075147222.db2.gz	KQSCGLBEVKSBDP-LLGFUMIMSA-N	1	1	405.495	1.329	20	0		HDADMO
O=C(NCCCN1CCCCCC1=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000670526884	1075148983	/nfs/dbraw/zinc/14/89/83/1075148983.db2.gz	DILQICQFSCCLLN-UHFFFAOYSA-N	1	1	422.570	1.047	20	0		HDADMO
O=C(NCCN1Cc2ccccc2C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000670526897	1075149306	/nfs/dbraw/zinc/14/93/06/1075149306.db2.gz	FVUVUVIUORKIFD-UHFFFAOYSA-N	1	1	414.550	1.270	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCO[C@@H](c2ccco2)C1	ZINC000670527231	1075151514	/nfs/dbraw/zinc/15/15/14/1075151514.db2.gz	VSXUGYIZBCWSEA-GOSISDBHSA-N	1	1	405.495	1.331	20	0		HDADMO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1	ZINC000509340736	1075154519	/nfs/dbraw/zinc/15/45/19/1075154519.db2.gz	HBTGFQQZZCBWLT-UHFFFAOYSA-N	1	1	416.570	1.242	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H](C(F)(F)F)O1	ZINC000670527003	1075154683	/nfs/dbraw/zinc/15/46/83/1075154683.db2.gz	FXDHMMUSLBLNRP-GJZGRUSLSA-N	1	1	421.460	1.316	20	0		HDADMO
CC1(C)c2cc(S(=O)(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)ccc2NC1=O	ZINC000675455985	1075154985	/nfs/dbraw/zinc/15/49/85/1075154985.db2.gz	NDZHDKFQZFRYKI-HNNXBMFYSA-N	1	1	407.536	1.792	20	0		HDADMO
CC1(C)c2cc(S(=O)(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)ccc2NC1=O	ZINC000675455985	1075154989	/nfs/dbraw/zinc/15/49/89/1075154989.db2.gz	NDZHDKFQZFRYKI-HNNXBMFYSA-N	1	1	407.536	1.792	20	0		HDADMO
C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)CC[C@H]2CCCO2)CC1	ZINC000675456401	1075155463	/nfs/dbraw/zinc/15/54/63/1075155463.db2.gz	MYBNVOBBZHTEIN-QUCCMNQESA-N	1	1	421.563	1.481	20	0		HDADMO
CCC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1	ZINC000466679392	1075156674	/nfs/dbraw/zinc/15/66/74/1075156674.db2.gz	JXOREKMNNOKBAD-LJQANCHMSA-N	1	1	414.550	1.980	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3cccc(F)c3)C[C@H]2C)C1	ZINC000429253191	1075157248	/nfs/dbraw/zinc/15/72/48/1075157248.db2.gz	APDYADNZYAFEHD-NQIIRXRSSA-N	1	1	406.546	1.809	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466680579	1075161775	/nfs/dbraw/zinc/16/17/75/1075161775.db2.gz	LWWFIWRTQLMATQ-PXNSSMCTSA-N	1	1	423.517	1.636	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1	ZINC000144181880	1075164634	/nfs/dbraw/zinc/16/46/34/1075164634.db2.gz	JRCNHHWKHMBLIW-IRXDYDNUSA-N	1	1	412.534	1.916	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)[C@H]1C(C)C	ZINC000429349834	1075167004	/nfs/dbraw/zinc/16/70/04/1075167004.db2.gz	AEQDQFMMGRNOHF-VHFSOBRXSA-N	1	1	407.486	1.639	20	0		HDADMO
COC(=O)c1coc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1	ZINC000543630648	1075168309	/nfs/dbraw/zinc/16/83/09/1075168309.db2.gz	ZZAKUHPKSJKHNU-INIZCTEOSA-N	1	1	408.476	1.813	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675483013	1075171986	/nfs/dbraw/zinc/17/19/86/1075171986.db2.gz	WZOUTWCFCWLPSM-VQIMIIECSA-N	1	1	409.552	1.495	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675483013	1075171987	/nfs/dbraw/zinc/17/19/87/1075171987.db2.gz	WZOUTWCFCWLPSM-VQIMIIECSA-N	1	1	409.552	1.495	20	0		HDADMO
COc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1	ZINC000675485645	1075173352	/nfs/dbraw/zinc/17/33/52/1075173352.db2.gz	NIELQSPYHIPQCT-QGZVFWFLSA-N	1	1	410.946	1.597	20	0		HDADMO
C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CCC(S(C)(=O)=O)CC3)cc2)C1	ZINC000675517160	1075182133	/nfs/dbraw/zinc/18/21/33/1075182133.db2.gz	JNPBYQHROKWSJB-MRXNPFEDSA-N	1	1	421.563	1.893	20	0		HDADMO
C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CCC(S(C)(=O)=O)CC3)cc2)C1	ZINC000675517157	1075182152	/nfs/dbraw/zinc/18/21/52/1075182152.db2.gz	JNPBYQHROKWSJB-INIZCTEOSA-N	1	1	421.563	1.893	20	0		HDADMO
CC(C)n1ncc2cc(NC(=O)C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)ccc21	ZINC000675519396	1075184301	/nfs/dbraw/zinc/18/43/01/1075184301.db2.gz	ZLVSCMCGOJWUEN-UHFFFAOYSA-N	1	1	414.510	1.178	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)CC1	ZINC000675519069	1075184563	/nfs/dbraw/zinc/18/45/63/1075184563.db2.gz	RBVBNXAMGHAQNS-UHFFFAOYSA-N	1	1	414.384	1.788	20	0		HDADMO
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000675519213	1075184625	/nfs/dbraw/zinc/18/46/25/1075184625.db2.gz	VZVVCVRDDIJTFA-IBGZPJMESA-N	1	1	406.502	1.203	20	0		HDADMO
O=C(Nc1ccn(CCN2CCOCC2)n1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000448361152	1075187694	/nfs/dbraw/zinc/18/76/94/1075187694.db2.gz	FZXOJKCGLSQMIL-HKUYNNGSSA-N	1	1	402.543	1.696	20	0		HDADMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)c1	ZINC000469169049	1075193746	/nfs/dbraw/zinc/19/37/46/1075193746.db2.gz	WODACFLHBWSFHL-UHFFFAOYSA-N	1	1	420.517	2.227	20	0		HDADMO
CC(C)[C@@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[NH+]1CCOCC1	ZINC000032298271	1075200764	/nfs/dbraw/zinc/20/07/64/1075200764.db2.gz	VAFIPOGXVUYUII-LJQANCHMSA-N	1	1	409.552	1.485	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1	ZINC000440044211	1075202147	/nfs/dbraw/zinc/20/21/47/1075202147.db2.gz	QHISCUJTOWWKHK-PKOBYXMFSA-N	1	1	413.522	1.980	20	0		HDADMO
Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000543635454	1075205765	/nfs/dbraw/zinc/20/57/65/1075205765.db2.gz	COEXGHUKGQVREU-FUHWJXTLSA-N	1	1	404.536	1.672	20	0		HDADMO
CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675577137	1075209873	/nfs/dbraw/zinc/20/98/73/1075209873.db2.gz	XDWVVQPGINOLOW-VXKWHMMOSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1	ZINC000675577137	1075209878	/nfs/dbraw/zinc/20/98/78/1075209878.db2.gz	XDWVVQPGINOLOW-VXKWHMMOSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000675577137	1075209885	/nfs/dbraw/zinc/20/98/85/1075209885.db2.gz	XDWVVQPGINOLOW-VXKWHMMOSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675577137	1075209890	/nfs/dbraw/zinc/20/98/90/1075209890.db2.gz	XDWVVQPGINOLOW-VXKWHMMOSA-N	1	1	415.582	1.309	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1	ZINC000675576130	1075209917	/nfs/dbraw/zinc/20/99/17/1075209917.db2.gz	GJBKSFMMGDBTQG-KPFFTGBYSA-N	1	1	410.522	1.830	20	0		HDADMO
C[C@@H]1CN(CC(=O)NCc2ccccc2CN2CCOCC2)CC[N@H+](C2CCC2)C1	ZINC000429359944	1075211510	/nfs/dbraw/zinc/21/15/10/1075211510.db2.gz	FJVKTBYHGDKLKA-HXUWFJFHSA-N	1	1	414.594	1.941	20	0		HDADMO
O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675582081	1075212565	/nfs/dbraw/zinc/21/25/65/1075212565.db2.gz	SMDPWMVEEZGVKC-NZQKXSOJSA-N	1	1	414.550	1.714	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@@]3(CCO)CCOC3)cc2)CC1	ZINC000675566816	1075217538	/nfs/dbraw/zinc/21/75/38/1075217538.db2.gz	AQXHOFALYMOKHS-OAQYLSRUSA-N	1	1	404.511	1.375	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H](C)CCS(C)(=O)=O)cc2)CC1	ZINC000675568133	1075217863	/nfs/dbraw/zinc/21/78/63/1075217863.db2.gz	WVHRPOVYWPWGLC-OAHLLOKOSA-N	1	1	410.540	1.409	20	0		HDADMO
C[NH+]1CCN(CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1	ZINC000675605295	1075221540	/nfs/dbraw/zinc/22/15/40/1075221540.db2.gz	KVOYBHRUVSVCLF-UHFFFAOYSA-N	1	1	409.372	1.777	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1	ZINC000572169812	1075228653	/nfs/dbraw/zinc/22/86/53/1075228653.db2.gz	LKLHBCPVNPMPEZ-GOSISDBHSA-N	1	1	410.522	2.144	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccn(CC(=O)N(C)C)n1	ZINC000429084413	1075229735	/nfs/dbraw/zinc/22/97/35/1075229735.db2.gz	NOCXAFQXXJRGNP-SFHVURJKSA-N	1	1	413.526	1.885	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1	ZINC000572169813	1075229813	/nfs/dbraw/zinc/22/98/13/1075229813.db2.gz	LKLHBCPVNPMPEZ-SFHVURJKSA-N	1	1	410.522	2.144	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000675594186	1075231499	/nfs/dbraw/zinc/23/14/99/1075231499.db2.gz	QPSLCSFSZZIQSY-WOJBJXKFSA-N	1	1	411.506	1.781	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)CC1	ZINC000466115436	1075232066	/nfs/dbraw/zinc/23/20/66/1075232066.db2.gz	LFDFDZUBQHWVSJ-INIZCTEOSA-N	1	1	420.558	1.617	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1	ZINC000675594974	1075233414	/nfs/dbraw/zinc/23/34/14/1075233414.db2.gz	RXSHONBFEJBXPA-LJQANCHMSA-N	1	1	405.543	1.971	20	0		HDADMO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000605994989	1075236069	/nfs/dbraw/zinc/23/60/69/1075236069.db2.gz	GMDIKMLERBXLOE-IBGZPJMESA-N	1	1	404.474	1.656	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)[C@H](C)C1	ZINC000441017713	1075237274	/nfs/dbraw/zinc/23/72/74/1075237274.db2.gz	RJEMOMFGYNZBHG-PBHICJAKSA-N	1	1	418.929	2.107	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000804220256	1075243548	/nfs/dbraw/zinc/24/35/48/1075243548.db2.gz	SCXDKYGIGUBGCY-IIBYNOLFSA-N	1	1	412.575	1.986	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)n1	ZINC000426691270	1075246717	/nfs/dbraw/zinc/24/67/17/1075246717.db2.gz	GXPMTOZAJYBQBO-ZDUSSCGKSA-N	1	1	414.441	1.979	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)cc1	ZINC000475262786	1075247890	/nfs/dbraw/zinc/24/78/90/1075247890.db2.gz	WUBAQCBUWKNIOE-UHFFFAOYSA-N	1	1	405.524	1.990	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1	ZINC000441692191	1075248252	/nfs/dbraw/zinc/24/82/52/1075248252.db2.gz	SMDNGDGJIXACOQ-LSDHHAIUSA-N	1	1	410.478	2.401	20	0		HDADMO
NC(=O)C1(c2ccccc2)CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1	ZINC000675656349	1075250082	/nfs/dbraw/zinc/25/00/82/1075250082.db2.gz	UMNNHWSTUUTURG-VQTJNVASSA-N	1	1	414.550	1.859	20	0		HDADMO
Cc1cccc(-n2ccnc2SCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1C	ZINC000675663879	1075251431	/nfs/dbraw/zinc/25/14/31/1075251431.db2.gz	DNTMWYVSWPBHEP-UHFFFAOYSA-N	1	1	415.563	1.814	20	0		HDADMO
C[C@](O)(CNC(=O)Nc1cc(Br)c(F)cc1F)C[NH+]1CCOCC1	ZINC000466694045	1075252882	/nfs/dbraw/zinc/25/28/82/1075252882.db2.gz	CXTFOYVVGUXEGD-HNNXBMFYSA-N	1	1	408.243	1.932	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1	ZINC000675707151	1075258836	/nfs/dbraw/zinc/25/88/36/1075258836.db2.gz	OSKRJBQANOKMNJ-MRXNPFEDSA-N	1	1	408.449	1.246	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c1	ZINC000675720662	1075262161	/nfs/dbraw/zinc/26/21/61/1075262161.db2.gz	ZXJDAYJRBPWJKF-UHFFFAOYSA-N	1	1	417.535	1.441	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2cc(OC)c(OC)cc2OC)[C@H]1C(C)C	ZINC000429375234	1075265636	/nfs/dbraw/zinc/26/56/36/1075265636.db2.gz	YCLBBYSXGPJUTA-YWZLYKJASA-N	1	1	408.495	1.848	20	0		HDADMO
C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1CCOCC1	ZINC000675770135	1075268790	/nfs/dbraw/zinc/26/87/90/1075268790.db2.gz	RRMMSEYTAUGKOF-IEBWSBKVSA-N	1	1	408.564	1.997	20	0		HDADMO
C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000509367664	1075269010	/nfs/dbraw/zinc/26/90/10/1075269010.db2.gz	YTTUWSMEVRUCQZ-INIZCTEOSA-N	1	1	400.523	1.637	20	0		HDADMO
Cc1c([C@H](C)NCC(=O)N2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1	ZINC000675782450	1075270979	/nfs/dbraw/zinc/27/09/79/1075270979.db2.gz	RYLAVAXNZROKQM-ZDUSSCGKSA-N	1	1	421.343	1.763	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)CC2	ZINC000675787164	1075271810	/nfs/dbraw/zinc/27/18/10/1075271810.db2.gz	YUNPWRLLWBMAIJ-IBGZPJMESA-N	1	1	415.534	1.969	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000675806467	1075273920	/nfs/dbraw/zinc/27/39/20/1075273920.db2.gz	HEUGCDMFWPCVGL-SFHVURJKSA-N	1	1	407.559	1.210	20	0		HDADMO
CN(CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)S(C)(=O)=O	ZINC000675810447	1075275154	/nfs/dbraw/zinc/27/51/54/1075275154.db2.gz	LXXTYUWWIXACBR-PMACEKPBSA-N	1	1	422.595	1.964	20	0		HDADMO
C[C@H]([NH2+]CCCCN1CCN(c2ncccn2)CC1)c1cccc(-n2cnnn2)c1	ZINC000675813468	1075275519	/nfs/dbraw/zinc/27/55/19/1075275519.db2.gz	IIPMNFPXQDFCEF-SFHVURJKSA-N	1	1	407.526	1.705	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O	ZINC000675826652	1075279037	/nfs/dbraw/zinc/27/90/37/1075279037.db2.gz	PLNRNUONQRNORJ-MSOLQXFVSA-N	1	1	407.559	1.162	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1	ZINC000675826985	1075279239	/nfs/dbraw/zinc/27/92/39/1075279239.db2.gz	AUTWWSLALMHCNW-MRXNPFEDSA-N	1	1	414.535	1.899	20	0		HDADMO
COc1cccc([C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CCO2)c1	ZINC000675827282	1075279259	/nfs/dbraw/zinc/27/92/59/1075279259.db2.gz	ZBKCMKXFNUAOHL-TZIWHRDSSA-N	1	1	418.538	1.185	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1	ZINC000675826984	1075279347	/nfs/dbraw/zinc/27/93/47/1075279347.db2.gz	AUTWWSLALMHCNW-INIZCTEOSA-N	1	1	414.535	1.899	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[N@H+]1Cc1ccccc1	ZINC000466701989	1075282269	/nfs/dbraw/zinc/28/22/69/1075282269.db2.gz	ANPXNEZZXUGXKS-CRAIPNDOSA-N	1	1	422.485	1.760	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1	ZINC000479067309	1075284415	/nfs/dbraw/zinc/28/44/15/1075284415.db2.gz	ANRQCBHTSPCFMP-UHFFFAOYSA-N	1	1	416.349	1.957	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C[N@H+]1Cc1ccccc1	ZINC000466706660	1075298403	/nfs/dbraw/zinc/29/84/03/1075298403.db2.gz	QZXZWRASICWPPB-CRAIPNDOSA-N	1	1	409.490	1.501	20	0		HDADMO
Cc1cc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(Cl)c1	ZINC000675937443	1075298484	/nfs/dbraw/zinc/29/84/84/1075298484.db2.gz	STWFKLWAPHIHSE-MRXNPFEDSA-N	1	1	406.914	1.660	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)Nc3noc(C)c3C)C2)cc(OC)c1	ZINC000550543385	1075300164	/nfs/dbraw/zinc/30/01/64/1075300164.db2.gz	JKSZIRWFFLOGCM-HNNXBMFYSA-N	1	1	402.451	1.638	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)Nc3noc(C)c3C)C2)cc(OC)c1	ZINC000550543385	1075300169	/nfs/dbraw/zinc/30/01/69/1075300169.db2.gz	JKSZIRWFFLOGCM-HNNXBMFYSA-N	1	1	402.451	1.638	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC(C(F)F)CC3)cc2)CC1	ZINC000675940398	1075301742	/nfs/dbraw/zinc/30/17/42/1075301742.db2.gz	SAMWYWJXALNYFD-UHFFFAOYSA-N	1	1	422.476	1.907	20	0		HDADMO
OCC[C@]1(CNc2cc(NC[C@@]3(CCO)CCOC3)c3ccncc3[nH+]2)CCOC1	ZINC000582054375	1075302886	/nfs/dbraw/zinc/30/28/86/1075302886.db2.gz	RTAGTJHMDCFQOB-FGZHOGPDSA-N	1	1	416.522	2.032	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)[nH+]c1	ZINC000548116748	1075303792	/nfs/dbraw/zinc/30/37/92/1075303792.db2.gz	KABHSRUFWJXQGE-UHFFFAOYSA-N	1	1	406.508	1.974	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CCn3nnc4ccccc4c3=O)C2)nc(C)[nH+]1	ZINC000731292303	1075304096	/nfs/dbraw/zinc/30/40/96/1075304096.db2.gz	DLHWYHHCXVLZLE-MRXNPFEDSA-N	1	1	408.462	1.801	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2)nc(C)[nH+]1	ZINC000731294476	1075305139	/nfs/dbraw/zinc/30/51/39/1075305139.db2.gz	LXDDDJPQQCFBQM-GVDBMIGSSA-N	1	1	400.479	1.781	20	0		HDADMO
Cc1ccc(NCCCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)[nH+]c1	ZINC000479373887	1075307598	/nfs/dbraw/zinc/30/75/98/1075307598.db2.gz	VZSZBYMJEUELSA-UHFFFAOYSA-N	1	1	418.519	1.643	20	0		HDADMO
O[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)COc1ccccc1Br	ZINC000546757848	1075310972	/nfs/dbraw/zinc/31/09/72/1075310972.db2.gz	DWXDAVNJWIHRIO-ZDUSSCGKSA-N	1	1	409.284	1.928	20	0		HDADMO
CC(C)([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1	ZINC000675971062	1075312622	/nfs/dbraw/zinc/31/26/22/1075312622.db2.gz	BZQQMHMUKCNWEV-UHFFFAOYSA-N	1	1	403.504	1.713	20	0		HDADMO
CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000429386745	1075318967	/nfs/dbraw/zinc/31/89/67/1075318967.db2.gz	NJTRUGFZIYLWTE-OALUTQOASA-N	1	1	419.957	1.867	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(CN3c4cccc(Cl)c4C(=O)C3=O)CC2)CC1	ZINC000731355600	1075318956	/nfs/dbraw/zinc/31/89/56/1075318956.db2.gz	BQJMJEVMEJKQHD-UHFFFAOYSA-N	1	1	418.925	1.703	20	0		HDADMO
Cc1ccc(N2C(=O)C[C@@H](N3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)C2=O)cc1	ZINC000731357969	1075320087	/nfs/dbraw/zinc/32/00/87/1075320087.db2.gz	XLBWJGODNXCLMU-HXUWFJFHSA-N	1	1	412.534	1.503	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1c(F)cccc1F	ZINC000676051236	1075332535	/nfs/dbraw/zinc/33/25/35/1075332535.db2.gz	OTTCAXPZAKNHDA-CQSZACIVSA-N	1	1	405.449	1.491	20	0		HDADMO
C[N@H+](CCOC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000676043268	1075339022	/nfs/dbraw/zinc/33/90/22/1075339022.db2.gz	NJOPTEJYFYGKQX-UHFFFAOYSA-N	1	1	411.568	1.408	20	0		HDADMO
C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000676043268	1075339026	/nfs/dbraw/zinc/33/90/26/1075339026.db2.gz	NJOPTEJYFYGKQX-UHFFFAOYSA-N	1	1	411.568	1.408	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000466710150	1075341641	/nfs/dbraw/zinc/34/16/41/1075341641.db2.gz	KDBWWXYDUFYNAB-GDBMZVCRSA-N	1	1	405.520	1.974	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000466710150	1075341646	/nfs/dbraw/zinc/34/16/46/1075341646.db2.gz	KDBWWXYDUFYNAB-GDBMZVCRSA-N	1	1	405.520	1.974	20	0		HDADMO
CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1	ZINC000466711844	1075346737	/nfs/dbraw/zinc/34/67/37/1075346737.db2.gz	DUHMOYOJQUKMTB-LPHOPBHVSA-N	1	1	424.501	1.529	20	0		HDADMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1	ZINC000731466865	1075357664	/nfs/dbraw/zinc/35/76/64/1075357664.db2.gz	LUKTZQKTJFVYQT-INIZCTEOSA-N	1	1	402.520	1.932	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[N@@H+]1Cc1ccccc1	ZINC000676099072	1075365806	/nfs/dbraw/zinc/36/58/06/1075365806.db2.gz	BQFBNACBWMZXLW-SJLPKXTDSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[N@H+]1Cc1ccccc1	ZINC000676099072	1075365810	/nfs/dbraw/zinc/36/58/10/1075365810.db2.gz	BQFBNACBWMZXLW-SJLPKXTDSA-N	1	1	404.474	1.985	20	0		HDADMO
CNC(=O)c1ccc(C[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C2CC2)cc1	ZINC000731487678	1075367185	/nfs/dbraw/zinc/36/71/85/1075367185.db2.gz	VHCUZWGXRLTDHD-HXUWFJFHSA-N	1	1	422.485	1.888	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1	ZINC000731479490	1075371463	/nfs/dbraw/zinc/37/14/63/1075371463.db2.gz	VMJOCWHJEXJVBV-UHFFFAOYSA-N	1	1	423.507	1.417	20	0		HDADMO
Cc1ccccc1CN1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1	ZINC000676091743	1075375952	/nfs/dbraw/zinc/37/59/52/1075375952.db2.gz	JYJTUWXIOSOEPK-UHFFFAOYSA-N	1	1	412.538	1.426	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1	ZINC000676111243	1075386075	/nfs/dbraw/zinc/38/60/75/1075386075.db2.gz	FQEKNXDTHZXLBJ-UHFFFAOYSA-N	1	1	403.523	1.618	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1	ZINC000804093822	1075392963	/nfs/dbraw/zinc/39/29/63/1075392963.db2.gz	QHDANWADAYJWEJ-SJORKVTESA-N	1	1	408.543	1.493	20	0		HDADMO
CC[N@@H+](CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C1CC1	ZINC000543658647	1075396753	/nfs/dbraw/zinc/39/67/53/1075396753.db2.gz	SZLYKGDCSWKXLK-UHFFFAOYSA-N	1	1	416.482	1.173	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC[C@@H](O)C(F)(F)F)cc2)CC1	ZINC000676127039	1075396788	/nfs/dbraw/zinc/39/67/88/1075396788.db2.gz	NNDNHKAQBLJULG-OAHLLOKOSA-N	1	1	402.417	1.899	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000676146764	1075398068	/nfs/dbraw/zinc/39/80/68/1075398068.db2.gz	GJIVDBULGMSDNK-KRWDZBQOSA-N	1	1	415.567	1.864	20	0		HDADMO
O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676148486	1075399539	/nfs/dbraw/zinc/39/95/39/1075399539.db2.gz	WKIHPBCBFXOYRV-RCCFBDPRSA-N	1	1	414.472	1.805	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)CC2)C1	ZINC000676151911	1075401156	/nfs/dbraw/zinc/40/11/56/1075401156.db2.gz	YKQNZNMNQLIKEB-VGSWGCGISA-N	1	1	419.570	1.116	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)NCc3c[nH+]c4n3CCCC4)n2)cc1	ZINC000551758039	1075403269	/nfs/dbraw/zinc/40/32/69/1075403269.db2.gz	QQHDAIJCQTXCSC-UHFFFAOYSA-N	1	1	408.462	1.728	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)Nc3cc(C)c4[nH+]ccn4c3)n2)cc1	ZINC000583395731	1075405925	/nfs/dbraw/zinc/40/59/25/1075405925.db2.gz	KFEVNVMIKPIUTL-UHFFFAOYSA-N	1	1	404.430	2.473	20	0		HDADMO
CN1C(=S)N=NC1C1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000731634550	1075412024	/nfs/dbraw/zinc/41/20/24/1075412024.db2.gz	IEKSNSOYUHHJGR-UHFFFAOYSA-N	1	1	414.579	1.628	20	0		HDADMO
O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000731620480	1075416130	/nfs/dbraw/zinc/41/61/30/1075416130.db2.gz	ULVUCHIOEAQOKJ-SFHVURJKSA-N	1	1	400.454	1.699	20	0		HDADMO
O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000731620480	1075416133	/nfs/dbraw/zinc/41/61/33/1075416133.db2.gz	ULVUCHIOEAQOKJ-SFHVURJKSA-N	1	1	400.454	1.699	20	0		HDADMO
COCCC(=O)N1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1	ZINC000676166920	1075416241	/nfs/dbraw/zinc/41/62/41/1075416241.db2.gz	GPAOIVSALQCQGD-HXUWFJFHSA-N	1	1	402.539	1.930	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)[C@H]1C(C)C	ZINC000429404936	1075436996	/nfs/dbraw/zinc/43/69/96/1075436996.db2.gz	WEAQEYJJWZESJZ-YJBOKZPZSA-N	1	1	411.524	1.409	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1	ZINC000731655492	1075438655	/nfs/dbraw/zinc/43/86/55/1075438655.db2.gz	MYMWPMGQLWCQAO-UHFFFAOYSA-N	1	1	405.499	1.583	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676241336	1075443619	/nfs/dbraw/zinc/44/36/19/1075443619.db2.gz	AGRLBAYIDVGGNP-CRAIPNDOSA-N	1	1	412.556	1.235	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676241336	1075443622	/nfs/dbraw/zinc/44/36/22/1075443622.db2.gz	AGRLBAYIDVGGNP-CRAIPNDOSA-N	1	1	412.556	1.235	20	0		HDADMO
C[C@@H](NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1C[N@H+](C)CCO1	ZINC000676245285	1075447394	/nfs/dbraw/zinc/44/73/94/1075447394.db2.gz	LADSEWSSMAWPER-PBHICJAKSA-N	1	1	417.535	1.591	20	0		HDADMO
C[C@@H](NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676245285	1075447398	/nfs/dbraw/zinc/44/73/98/1075447398.db2.gz	LADSEWSSMAWPER-PBHICJAKSA-N	1	1	417.535	1.591	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1	ZINC000544160675	1075447707	/nfs/dbraw/zinc/44/77/07/1075447707.db2.gz	PGTXUXQRGZMUSD-UHFFFAOYSA-N	1	1	404.559	1.779	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000731687449	1075449462	/nfs/dbraw/zinc/44/94/62/1075449462.db2.gz	OYHIXGOIAPMBBH-SFHVURJKSA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258233	1075453289	/nfs/dbraw/zinc/45/32/89/1075453289.db2.gz	GCWQXELXCWGVMZ-JTDSTZFVSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258233	1075453291	/nfs/dbraw/zinc/45/32/91/1075453291.db2.gz	GCWQXELXCWGVMZ-JTDSTZFVSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676259082	1075453700	/nfs/dbraw/zinc/45/37/00/1075453700.db2.gz	QSYGBMNAWXWZAO-GPMSIDNRSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259082	1075453706	/nfs/dbraw/zinc/45/37/06/1075453706.db2.gz	QSYGBMNAWXWZAO-GPMSIDNRSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676259107	1075454229	/nfs/dbraw/zinc/45/42/29/1075454229.db2.gz	HNIPEEVVWDGPRI-MLGOLLRUSA-N	1	1	423.311	1.384	20	0		HDADMO
C[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676259107	1075454232	/nfs/dbraw/zinc/45/42/32/1075454232.db2.gz	HNIPEEVVWDGPRI-MLGOLLRUSA-N	1	1	423.311	1.384	20	0		HDADMO
C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676259103	1075454263	/nfs/dbraw/zinc/45/42/63/1075454263.db2.gz	HNIPEEVVWDGPRI-BLLLJJGKSA-N	1	1	423.311	1.384	20	0		HDADMO
C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676259103	1075454269	/nfs/dbraw/zinc/45/42/69/1075454269.db2.gz	HNIPEEVVWDGPRI-BLLLJJGKSA-N	1	1	423.311	1.384	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676258906	1075454341	/nfs/dbraw/zinc/45/43/41/1075454341.db2.gz	OVGKKEDMFKCDRM-LPHOPBHVSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676258906	1075454344	/nfs/dbraw/zinc/45/43/44/1075454344.db2.gz	OVGKKEDMFKCDRM-LPHOPBHVSA-N	1	1	409.552	1.231	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258648	1075455363	/nfs/dbraw/zinc/45/53/63/1075455363.db2.gz	VKRYLMBMWZDLGO-LPHOPBHVSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258648	1075455367	/nfs/dbraw/zinc/45/53/67/1075455367.db2.gz	VKRYLMBMWZDLGO-LPHOPBHVSA-N	1	1	409.552	1.700	20	0		HDADMO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676258877	1075455460	/nfs/dbraw/zinc/45/54/60/1075455460.db2.gz	OOGOIFPJCYGEIM-RISCZKNCSA-N	1	1	414.432	1.528	20	0		HDADMO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258877	1075455465	/nfs/dbraw/zinc/45/54/65/1075455465.db2.gz	OOGOIFPJCYGEIM-RISCZKNCSA-N	1	1	414.432	1.528	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258649	1075455517	/nfs/dbraw/zinc/45/55/17/1075455517.db2.gz	VKRYLMBMWZDLGO-QFBILLFUSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258649	1075455523	/nfs/dbraw/zinc/45/55/23/1075455523.db2.gz	VKRYLMBMWZDLGO-QFBILLFUSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@H]1C[N@H+](C)CCO1	ZINC000676258529	1075455759	/nfs/dbraw/zinc/45/57/59/1075455759.db2.gz	CNNPOJWDMOEOOP-OXQOHEQNSA-N	1	1	406.486	1.894	20	0		HDADMO
C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@H]1C[N@@H+](C)CCO1	ZINC000676258529	1075455763	/nfs/dbraw/zinc/45/57/63/1075455763.db2.gz	CNNPOJWDMOEOOP-OXQOHEQNSA-N	1	1	406.486	1.894	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258337	1075455959	/nfs/dbraw/zinc/45/59/59/1075455959.db2.gz	SZHOQVZBHBWPJF-YZLZLFLDSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258337	1075455965	/nfs/dbraw/zinc/45/59/65/1075455965.db2.gz	SZHOQVZBHBWPJF-YZLZLFLDSA-N	1	1	423.579	1.802	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676259852	1075456511	/nfs/dbraw/zinc/45/65/11/1075456511.db2.gz	QPFDCDQLZYVKDG-VQIMIIECSA-N	1	1	411.568	1.485	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676259852	1075456514	/nfs/dbraw/zinc/45/65/14/1075456514.db2.gz	QPFDCDQLZYVKDG-VQIMIIECSA-N	1	1	411.568	1.485	20	0		HDADMO
C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@@H]1C[N@H+](C)CCO1	ZINC000676259449	1075456953	/nfs/dbraw/zinc/45/69/53/1075456953.db2.gz	VNFFEAOUKGVMNR-ZFWWWQNUSA-N	1	1	404.536	1.562	20	0		HDADMO
C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259449	1075456955	/nfs/dbraw/zinc/45/69/55/1075456955.db2.gz	VNFFEAOUKGVMNR-ZFWWWQNUSA-N	1	1	404.536	1.562	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676261123	1075457540	/nfs/dbraw/zinc/45/75/40/1075457540.db2.gz	PZPXHKOJQMNSTR-CRAIPNDOSA-N	1	1	406.552	1.645	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676261123	1075457553	/nfs/dbraw/zinc/45/75/53/1075457553.db2.gz	PZPXHKOJQMNSTR-CRAIPNDOSA-N	1	1	406.552	1.645	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1	ZINC000676260741	1075458295	/nfs/dbraw/zinc/45/82/95/1075458295.db2.gz	KOUSAEHRVBNERI-UHFFFAOYSA-N	1	1	405.568	1.473	20	0		HDADMO
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676260644	1075458713	/nfs/dbraw/zinc/45/87/13/1075458713.db2.gz	GQJSZKITCLYFNM-WFASDCNBSA-N	1	1	408.442	1.400	20	0		HDADMO
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260644	1075458715	/nfs/dbraw/zinc/45/87/15/1075458715.db2.gz	GQJSZKITCLYFNM-WFASDCNBSA-N	1	1	408.442	1.400	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676260592	1075458768	/nfs/dbraw/zinc/45/87/68/1075458768.db2.gz	GCULXHBRSBUUTN-JXFKEZNVSA-N	1	1	417.531	1.614	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260592	1075458771	/nfs/dbraw/zinc/45/87/71/1075458771.db2.gz	GCULXHBRSBUUTN-JXFKEZNVSA-N	1	1	417.531	1.614	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676260595	1075458779	/nfs/dbraw/zinc/45/87/79/1075458779.db2.gz	GCULXHBRSBUUTN-UZLBHIALSA-N	1	1	417.531	1.614	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260595	1075458782	/nfs/dbraw/zinc/45/87/82/1075458782.db2.gz	GCULXHBRSBUUTN-UZLBHIALSA-N	1	1	417.531	1.614	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1C[N@H+](C)CCO1	ZINC000676261787	1075460180	/nfs/dbraw/zinc/46/01/80/1075460180.db2.gz	OXAZFWMLPZWULI-IAQYHMDHSA-N	1	1	412.284	1.010	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1C[N@@H+](C)CCO1	ZINC000676261787	1075460182	/nfs/dbraw/zinc/46/01/82/1075460182.db2.gz	OXAZFWMLPZWULI-IAQYHMDHSA-N	1	1	412.284	1.010	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676262770	1075461241	/nfs/dbraw/zinc/46/12/41/1075461241.db2.gz	LSBFPYMOKLHTKX-QILLFSRXSA-N	1	1	411.524	1.480	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262770	1075461245	/nfs/dbraw/zinc/46/12/45/1075461245.db2.gz	LSBFPYMOKLHTKX-QILLFSRXSA-N	1	1	411.524	1.480	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676248196	1075464806	/nfs/dbraw/zinc/46/48/06/1075464806.db2.gz	PBWGIYAKLQBVLY-OALUTQOASA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676248196	1075464817	/nfs/dbraw/zinc/46/48/17/1075464817.db2.gz	PBWGIYAKLQBVLY-OALUTQOASA-N	1	1	417.554	1.288	20	0		HDADMO
CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000731683017	1075466020	/nfs/dbraw/zinc/46/60/20/1075466020.db2.gz	YCXBIRMYLGLCIM-FQEVSTJZSA-N	1	1	422.595	1.459	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)C2)cc(OC)c1	ZINC000676250055	1075466703	/nfs/dbraw/zinc/46/67/03/1075466703.db2.gz	VIASQGNVGVZRTI-RIFZZMRRSA-N	1	1	406.527	1.296	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)C2)cc(OC)c1	ZINC000676250055	1075466712	/nfs/dbraw/zinc/46/67/12/1075466712.db2.gz	VIASQGNVGVZRTI-RIFZZMRRSA-N	1	1	406.527	1.296	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCS(=O)(=O)NCC1CCC1	ZINC000731682757	1075467047	/nfs/dbraw/zinc/46/70/47/1075467047.db2.gz	UUXCZXRPFJBTMJ-UHFFFAOYSA-N	1	1	406.512	1.094	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1	ZINC000546097162	1075471174	/nfs/dbraw/zinc/47/11/74/1075471174.db2.gz	OWNUVZCUSJXAEW-MRXNPFEDSA-N	1	1	423.439	2.507	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@H+]1Cc1ccccc1	ZINC000546097162	1075471180	/nfs/dbraw/zinc/47/11/80/1075471180.db2.gz	OWNUVZCUSJXAEW-MRXNPFEDSA-N	1	1	423.439	2.507	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676254001	1075471253	/nfs/dbraw/zinc/47/12/53/1075471253.db2.gz	CJKRGEDXXTYLMV-YJBOKZPZSA-N	1	1	410.540	1.702	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676254001	1075471259	/nfs/dbraw/zinc/47/12/59/1075471259.db2.gz	CJKRGEDXXTYLMV-YJBOKZPZSA-N	1	1	410.540	1.702	20	0		HDADMO
COc1ccc(OC)c(CN2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676253300	1075471736	/nfs/dbraw/zinc/47/17/36/1075471736.db2.gz	VOGXCYUKGFKGMQ-UZLBHIALSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1ccc(OC)c(CN2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676253300	1075471740	/nfs/dbraw/zinc/47/17/40/1075471740.db2.gz	VOGXCYUKGFKGMQ-UZLBHIALSA-N	1	1	406.527	1.250	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278116	1075475673	/nfs/dbraw/zinc/47/56/73/1075475673.db2.gz	GAOOEBCDHDLLDV-APWZRJJASA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278116	1075475680	/nfs/dbraw/zinc/47/56/80/1075475680.db2.gz	GAOOEBCDHDLLDV-APWZRJJASA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277875	1075477565	/nfs/dbraw/zinc/47/75/65/1075477565.db2.gz	CCAFELUCWVNUEJ-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277875	1075477569	/nfs/dbraw/zinc/47/75/69/1075477569.db2.gz	CCAFELUCWVNUEJ-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
Cc1c(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000429416311	1075479980	/nfs/dbraw/zinc/47/99/80/1075479980.db2.gz	CJZUFCJTMIIVBK-CQSZACIVSA-N	1	1	412.556	1.602	20	0		HDADMO
Cc1c(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000429416311	1075479984	/nfs/dbraw/zinc/47/99/84/1075479984.db2.gz	CJZUFCJTMIIVBK-CQSZACIVSA-N	1	1	412.556	1.602	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1C(=O)N1CCCC1	ZINC000676278499	1075480959	/nfs/dbraw/zinc/48/09/59/1075480959.db2.gz	IYAVISDJAOMMPQ-CRAIPNDOSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1C(=O)N1CCCC1	ZINC000676278499	1075480962	/nfs/dbraw/zinc/48/09/62/1075480962.db2.gz	IYAVISDJAOMMPQ-CRAIPNDOSA-N	1	1	402.495	1.005	20	0		HDADMO
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676278540	1075481026	/nfs/dbraw/zinc/48/10/26/1075481026.db2.gz	IBGNPNNPYXOWNK-RHSMWYFYSA-N	1	1	404.511	1.379	20	0		HDADMO
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676278540	1075481029	/nfs/dbraw/zinc/48/10/29/1075481029.db2.gz	IBGNPNNPYXOWNK-RHSMWYFYSA-N	1	1	404.511	1.379	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280050	1075482629	/nfs/dbraw/zinc/48/26/29/1075482629.db2.gz	QTMQFKUFZWJKDH-SUMWQHHRSA-N	1	1	402.426	1.787	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280050	1075482633	/nfs/dbraw/zinc/48/26/33/1075482633.db2.gz	QTMQFKUFZWJKDH-SUMWQHHRSA-N	1	1	402.426	1.787	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676279356	1075484511	/nfs/dbraw/zinc/48/45/11/1075484511.db2.gz	OQAUFTWGGUHJPW-AUUYWEPGSA-N	1	1	416.453	1.574	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279356	1075484514	/nfs/dbraw/zinc/48/45/14/1075484514.db2.gz	OQAUFTWGGUHJPW-AUUYWEPGSA-N	1	1	416.453	1.574	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676280812	1075485479	/nfs/dbraw/zinc/48/54/79/1075485479.db2.gz	SZVLMQOHGRUTFO-YGRLFVJLSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280812	1075485481	/nfs/dbraw/zinc/48/54/81/1075485481.db2.gz	SZVLMQOHGRUTFO-YGRLFVJLSA-N	1	1	407.364	1.541	20	0		HDADMO
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1)C(C)C	ZINC000676281793	1075488268	/nfs/dbraw/zinc/48/82/68/1075488268.db2.gz	WPJLZMGMEPLGGV-KXBFYZLASA-N	1	1	404.511	1.217	20	0		HDADMO
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1)C(C)C	ZINC000676281793	1075488272	/nfs/dbraw/zinc/48/82/72/1075488272.db2.gz	WPJLZMGMEPLGGV-KXBFYZLASA-N	1	1	404.511	1.217	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1C[N@H+](C)CCO1	ZINC000676281316	1075489118	/nfs/dbraw/zinc/48/91/18/1075489118.db2.gz	VTBXYDSRBPWWIA-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281316	1075489123	/nfs/dbraw/zinc/48/91/23/1075489123.db2.gz	VTBXYDSRBPWWIA-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1C[N@H+](C)CCO1	ZINC000676282792	1075489564	/nfs/dbraw/zinc/48/95/64/1075489564.db2.gz	VQANURXLKJBNHN-JOQOYGCGSA-N	1	1	409.458	1.157	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282792	1075489567	/nfs/dbraw/zinc/48/95/67/1075489567.db2.gz	VQANURXLKJBNHN-JOQOYGCGSA-N	1	1	409.458	1.157	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CS[C@@H]1CCS(=O)(=O)C1	ZINC000711753903	1075491460	/nfs/dbraw/zinc/49/14/60/1075491460.db2.gz	AELRACZNDQWOCR-IEBWSBKVSA-N	1	1	412.577	1.002	20	0		HDADMO
COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676288929	1075492822	/nfs/dbraw/zinc/49/28/22/1075492822.db2.gz	BGESACNFHKWMKV-SUMWQHHRSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676288929	1075492824	/nfs/dbraw/zinc/49/28/24/1075492824.db2.gz	BGESACNFHKWMKV-SUMWQHHRSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1cccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676288927	1075492833	/nfs/dbraw/zinc/49/28/33/1075492833.db2.gz	BGESACNFHKWMKV-DYVFJYSZSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1cccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676288927	1075492835	/nfs/dbraw/zinc/49/28/35/1075492835.db2.gz	BGESACNFHKWMKV-DYVFJYSZSA-N	1	1	405.524	1.512	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@H]1CN(C)CCO1	ZINC000676307444	1075493096	/nfs/dbraw/zinc/49/30/96/1075493096.db2.gz	PLJXRZFGZPFRJY-PZJWPPBQSA-N	1	1	403.571	1.165	20	0		HDADMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676308502	1075493942	/nfs/dbraw/zinc/49/39/42/1075493942.db2.gz	XELUZVLXRRZXBG-IEZWGBDMSA-N	1	1	404.511	1.835	20	0		HDADMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676308502	1075493943	/nfs/dbraw/zinc/49/39/43/1075493943.db2.gz	XELUZVLXRRZXBG-IEZWGBDMSA-N	1	1	404.511	1.835	20	0		HDADMO
O=C(Cc1c[nH]c2ccccc12)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676308534	1075493963	/nfs/dbraw/zinc/49/39/63/1075493963.db2.gz	JASOMNWBARKWEV-UHFFFAOYSA-N	1	1	406.490	1.686	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676289343	1075494978	/nfs/dbraw/zinc/49/49/78/1075494978.db2.gz	FPHLTWHYSHCMBZ-BEFAXECRSA-N	1	1	421.519	1.515	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676289343	1075494979	/nfs/dbraw/zinc/49/49/79/1075494979.db2.gz	FPHLTWHYSHCMBZ-BEFAXECRSA-N	1	1	421.519	1.515	20	0		HDADMO
CC[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1)[N@H+]1CCc2ccccc2C1	ZINC000560168289	1075497399	/nfs/dbraw/zinc/49/73/99/1075497399.db2.gz	QUMFQJFWPTZCMF-GOSISDBHSA-N	1	1	411.506	2.155	20	0		HDADMO
COc1cc2c(cc1OC)CN(CC(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2	ZINC000676294922	1075498147	/nfs/dbraw/zinc/49/81/47/1075498147.db2.gz	FGCKTOYFDJSHEY-IBGZPJMESA-N	1	1	403.523	1.385	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1	ZINC000676297258	1075500009	/nfs/dbraw/zinc/50/00/09/1075500009.db2.gz	YXKMVGMODCQHQP-APWZRJJASA-N	1	1	407.584	1.546	20	0		HDADMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)CC1	ZINC000472899793	1075501436	/nfs/dbraw/zinc/50/14/36/1075501436.db2.gz	KQYGZYLCTYCCBE-MJGOQNOKSA-N	1	1	413.522	1.654	20	0		HDADMO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676303596	1075502217	/nfs/dbraw/zinc/50/22/17/1075502217.db2.gz	FHZYZKOUBJAXHV-NSHGMRRFSA-N	1	1	418.538	1.335	20	0		HDADMO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676303596	1075502221	/nfs/dbraw/zinc/50/22/21/1075502221.db2.gz	FHZYZKOUBJAXHV-NSHGMRRFSA-N	1	1	418.538	1.335	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676303736	1075502352	/nfs/dbraw/zinc/50/23/52/1075502352.db2.gz	HZWSQJHJUHWVID-KDOFPFPSSA-N	1	1	422.507	1.599	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676303736	1075502355	/nfs/dbraw/zinc/50/23/55/1075502355.db2.gz	HZWSQJHJUHWVID-KDOFPFPSSA-N	1	1	422.507	1.599	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676304321	1075502941	/nfs/dbraw/zinc/50/29/41/1075502941.db2.gz	KVIVFLJYRGAWDH-RHSMWYFYSA-N	1	1	400.483	1.740	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676304321	1075502949	/nfs/dbraw/zinc/50/29/49/1075502949.db2.gz	KVIVFLJYRGAWDH-RHSMWYFYSA-N	1	1	400.483	1.740	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676305549	1075503441	/nfs/dbraw/zinc/50/34/41/1075503441.db2.gz	QHWHZVAYMDZEBF-BJJXKVORSA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676305549	1075503445	/nfs/dbraw/zinc/50/34/45/1075503445.db2.gz	QHWHZVAYMDZEBF-BJJXKVORSA-N	1	1	405.417	1.463	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br	ZINC000429422396	1075503752	/nfs/dbraw/zinc/50/37/52/1075503752.db2.gz	ZEIKRRHRILMBJH-CYBMUJFWSA-N	1	1	419.341	1.801	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676306522	1075504411	/nfs/dbraw/zinc/50/44/11/1075504411.db2.gz	VIFQLQNMAHJASO-NLWGTHIKSA-N	1	1	418.538	1.335	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676306522	1075504412	/nfs/dbraw/zinc/50/44/12/1075504412.db2.gz	VIFQLQNMAHJASO-NLWGTHIKSA-N	1	1	418.538	1.335	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307922	1075505235	/nfs/dbraw/zinc/50/52/35/1075505235.db2.gz	TVPHQKDCNAKOHE-NYVOZVTQSA-N	1	1	424.545	1.932	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307922	1075505238	/nfs/dbraw/zinc/50/52/38/1075505238.db2.gz	TVPHQKDCNAKOHE-NYVOZVTQSA-N	1	1	424.545	1.932	20	0		HDADMO
CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000551907108	1075505532	/nfs/dbraw/zinc/50/55/32/1075505532.db2.gz	PCLGMIKIWSWXRR-LBPRGKRZSA-N	1	1	410.400	1.777	20	0		HDADMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000551907108	1075505536	/nfs/dbraw/zinc/50/55/36/1075505536.db2.gz	PCLGMIKIWSWXRR-LBPRGKRZSA-N	1	1	410.400	1.777	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676334698	1075510086	/nfs/dbraw/zinc/51/00/86/1075510086.db2.gz	DUSFRMMUCVJURU-UYAOXDASSA-N	1	1	418.538	1.255	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676334698	1075510093	/nfs/dbraw/zinc/51/00/93/1075510093.db2.gz	DUSFRMMUCVJURU-UYAOXDASSA-N	1	1	418.538	1.255	20	0		HDADMO
CCN(CCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)OC(C)(C)C	ZINC000731757068	1075513090	/nfs/dbraw/zinc/51/30/90/1075513090.db2.gz	SYUGRCZYJSFXPP-UHFFFAOYSA-N	1	1	413.563	1.485	20	0		HDADMO
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc2c(c1)CC(=O)N2C	ZINC000731758084	1075513570	/nfs/dbraw/zinc/51/35/70/1075513570.db2.gz	GFTMARHJLXETOS-CQSZACIVSA-N	1	1	401.511	1.118	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1C	ZINC000676340891	1075513982	/nfs/dbraw/zinc/51/39/82/1075513982.db2.gz	LYYDUOOXJLWVFV-SFHVURJKSA-N	1	1	409.552	1.295	20	0		HDADMO
O=C(CCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCN(c2ccccc2)CC1	ZINC000676343153	1075515619	/nfs/dbraw/zinc/51/56/19/1075515619.db2.gz	WHAPCSRPUHFWMX-FQEVSTJZSA-N	1	1	400.523	1.049	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676332560	1075522428	/nfs/dbraw/zinc/52/24/28/1075522428.db2.gz	OKQLIMQSNUNRGN-QRWLVFNGSA-N	1	1	419.522	1.391	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676332560	1075522435	/nfs/dbraw/zinc/52/24/35/1075522435.db2.gz	OKQLIMQSNUNRGN-QRWLVFNGSA-N	1	1	419.522	1.391	20	0		HDADMO
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676333795	1075523544	/nfs/dbraw/zinc/52/35/44/1075523544.db2.gz	OZDMMNLJKISBOC-GUYCJALGSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676333795	1075523547	/nfs/dbraw/zinc/52/35/47/1075523547.db2.gz	OZDMMNLJKISBOC-GUYCJALGSA-N	1	1	405.524	1.512	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1	ZINC000731826612	1075525045	/nfs/dbraw/zinc/52/50/45/1075525045.db2.gz	GGOQLYSIVLQXAC-CQSZACIVSA-N	1	1	415.943	1.263	20	0		HDADMO
COc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1	ZINC000731826876	1075525641	/nfs/dbraw/zinc/52/56/41/1075525641.db2.gz	NZKSXSZNQLMEMG-CQSZACIVSA-N	1	1	405.524	1.158	20	0		HDADMO
COc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1	ZINC000731826875	1075525693	/nfs/dbraw/zinc/52/56/93/1075525693.db2.gz	NZKSXSZNQLMEMG-AWEZNQCLSA-N	1	1	405.524	1.158	20	0		HDADMO
COC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(OCC(F)(F)F)c1	ZINC000429426950	1075526177	/nfs/dbraw/zinc/52/61/77/1075526177.db2.gz	GPODPRWLRHFBEE-LBPRGKRZSA-N	1	1	419.400	1.945	20	0		HDADMO
COC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(OCC(F)(F)F)c1	ZINC000429426950	1075526181	/nfs/dbraw/zinc/52/61/81/1075526181.db2.gz	GPODPRWLRHFBEE-LBPRGKRZSA-N	1	1	419.400	1.945	20	0		HDADMO
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)C1=O	ZINC000731844073	1075529350	/nfs/dbraw/zinc/52/93/50/1075529350.db2.gz	IXYFTTIMHJQUBE-VXKWHMMOSA-N	1	1	410.474	1.372	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1	ZINC000731853137	1075535136	/nfs/dbraw/zinc/53/51/36/1075535136.db2.gz	CUSBWZSNVHOUJM-UHFFFAOYSA-N	1	1	409.552	1.975	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2)CC1	ZINC000676375384	1075537005	/nfs/dbraw/zinc/53/70/05/1075537005.db2.gz	MCKSCSBXPVFGNV-LJQANCHMSA-N	1	1	408.524	1.163	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N[C@@H](CO)C(C)(C)C)cc1	ZINC000676377207	1075537415	/nfs/dbraw/zinc/53/74/15/1075537415.db2.gz	VBNACQRVGOPCPF-SFHVURJKSA-N	1	1	405.543	1.425	20	0		HDADMO
COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000676393197	1075541149	/nfs/dbraw/zinc/54/11/49/1075541149.db2.gz	MUNNNUKMXBRALL-RDJZCZTQSA-N	1	1	410.536	1.475	20	0		HDADMO
C[NH+](C)[C@H](CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)c1ccco1	ZINC000804142829	1075543767	/nfs/dbraw/zinc/54/37/67/1075543767.db2.gz	KLHWQGAAUSMVEX-BEFAXECRSA-N	1	1	405.476	1.753	20	0		HDADMO
C[C@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676402234	1075544197	/nfs/dbraw/zinc/54/41/97/1075544197.db2.gz	RFNHOPBLYLXIKX-KBXCAEBGSA-N	1	1	414.531	1.922	20	0		HDADMO
C[C@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676402234	1075544202	/nfs/dbraw/zinc/54/42/02/1075544202.db2.gz	RFNHOPBLYLXIKX-KBXCAEBGSA-N	1	1	414.531	1.922	20	0		HDADMO
COc1ccc(-c2nc(C[NH2+][C@@H]3CC(=O)N(CCN4CCOCC4)C3)cs2)cc1	ZINC000676419150	1075549070	/nfs/dbraw/zinc/54/90/70/1075549070.db2.gz	RRVKISJJDOILSP-QGZVFWFLSA-N	1	1	416.547	1.841	20	0		HDADMO
CN(C)C(=O)Nc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)c1	ZINC000676446551	1075556115	/nfs/dbraw/zinc/55/61/15/1075556115.db2.gz	SOODWKALIYSUHK-QGZVFWFLSA-N	1	1	421.929	1.988	20	0		HDADMO
C[C@@H](CC(=O)NC[C@H](c1ccco1)[NH+](C)C)NS(=O)(=O)c1cccnc1Cl	ZINC000731890842	1075557960	/nfs/dbraw/zinc/55/79/60/1075557960.db2.gz	HAVCGUXHQJQELV-QWHCGFSZSA-N	1	1	414.915	1.804	20	0		HDADMO
Cc1cc(CNC(=O)C(=O)Nc2cc(C)nn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1	ZINC000676453240	1075558105	/nfs/dbraw/zinc/55/81/05/1075558105.db2.gz	KLURSKDFVJETTN-IBGZPJMESA-N	1	1	421.505	1.925	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCc2cc(C)[nH]n2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000676453240	1075558113	/nfs/dbraw/zinc/55/81/13/1075558113.db2.gz	KLURSKDFVJETTN-IBGZPJMESA-N	1	1	421.505	1.925	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCc2cc(C)[nH]n2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676453240	1075558117	/nfs/dbraw/zinc/55/81/17/1075558117.db2.gz	KLURSKDFVJETTN-IBGZPJMESA-N	1	1	421.505	1.925	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC(C)(C)CO)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676455018	1075559362	/nfs/dbraw/zinc/55/93/62/1075559362.db2.gz	GTMYERFILZVNQM-SFHVURJKSA-N	1	1	413.522	1.712	20	0		HDADMO
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)S(=O)(=O)c1cccs1	ZINC000676477907	1075560240	/nfs/dbraw/zinc/56/02/40/1075560240.db2.gz	AAZGSNGJKLZLOB-INIZCTEOSA-N	1	1	408.549	1.544	20	0		HDADMO
CN(CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)S(=O)(=O)c1cccs1	ZINC000676477907	1075560248	/nfs/dbraw/zinc/56/02/48/1075560248.db2.gz	AAZGSNGJKLZLOB-INIZCTEOSA-N	1	1	408.549	1.544	20	0		HDADMO
COCC[C@H]1NC(=O)N(Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1=O	ZINC000804160744	1075561041	/nfs/dbraw/zinc/56/10/41/1075561041.db2.gz	ATOQCGDQACCLSU-LJQANCHMSA-N	1	1	405.495	1.633	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)CN3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1OC	ZINC000509416100	1075561682	/nfs/dbraw/zinc/56/16/82/1075561682.db2.gz	LXFRKJFYATWPBM-RTBURBONSA-N	1	1	418.582	1.681	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1	ZINC000676471177	1075562655	/nfs/dbraw/zinc/56/26/55/1075562655.db2.gz	ASWDPBIUPDVHFL-HXUWFJFHSA-N	1	1	415.534	1.693	20	0		HDADMO
C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1nc2ccccc2s1	ZINC000804165799	1075572886	/nfs/dbraw/zinc/57/28/86/1075572886.db2.gz	FCACEIPFVIEGRA-HNNXBMFYSA-N	1	1	417.579	1.958	20	0		HDADMO
C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1nc2ccccc2s1	ZINC000804165799	1075572891	/nfs/dbraw/zinc/57/28/91/1075572891.db2.gz	FCACEIPFVIEGRA-HNNXBMFYSA-N	1	1	417.579	1.958	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)CCO2	ZINC000676531883	1075577014	/nfs/dbraw/zinc/57/70/14/1075577014.db2.gz	UFQKYZYSRWVRRY-CRAIPNDOSA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)CCO2	ZINC000676531883	1075577018	/nfs/dbraw/zinc/57/70/18/1075577018.db2.gz	UFQKYZYSRWVRRY-CRAIPNDOSA-N	1	1	419.522	1.329	20	0		HDADMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1	ZINC000676539823	1075579863	/nfs/dbraw/zinc/57/98/63/1075579863.db2.gz	CZOAOIFNSKQFOG-QGZVFWFLSA-N	1	1	402.605	1.906	20	0		HDADMO
CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1OC	ZINC000731971273	1075580056	/nfs/dbraw/zinc/58/00/56/1075580056.db2.gz	PJDILCSNNGJXKY-AZUAARDMSA-N	1	1	403.523	1.976	20	0		HDADMO
CC(C)[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000509419708	1075580096	/nfs/dbraw/zinc/58/00/96/1075580096.db2.gz	CVKAGBQZZMRAKR-OXQOHEQNSA-N	1	1	404.559	1.588	20	0		HDADMO
CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1=O	ZINC000732002541	1075584353	/nfs/dbraw/zinc/58/43/53/1075584353.db2.gz	UQCBZLKNEYIQDT-QGZVFWFLSA-N	1	1	408.502	1.820	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000555813888	1075588910	/nfs/dbraw/zinc/58/89/10/1075588910.db2.gz	GAJHPJQMGMZETM-OXQOHEQNSA-N	1	1	421.505	2.288	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000555813888	1075588913	/nfs/dbraw/zinc/58/89/13/1075588913.db2.gz	GAJHPJQMGMZETM-OXQOHEQNSA-N	1	1	421.505	2.288	20	0		HDADMO
C[N@@H+](CCN1CCN(C(=O)NCCC2(O)CCOCC2)CC1)Cc1ccccc1	ZINC000509422995	1075597784	/nfs/dbraw/zinc/59/77/84/1075597784.db2.gz	MTKLPOPJIUMPDQ-UHFFFAOYSA-N	1	1	404.555	1.377	20	0		HDADMO
C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)[C@@H]2CCCOC2)CC1	ZINC000543679176	1075599812	/nfs/dbraw/zinc/59/98/12/1075599812.db2.gz	ARDGUBKZZUATGP-IEBWSBKVSA-N	1	1	407.536	1.091	20	0		HDADMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1	ZINC000573287253	1075600245	/nfs/dbraw/zinc/60/02/45/1075600245.db2.gz	DFVJJOSMRCYPKV-PXNSSMCTSA-N	1	1	418.501	2.217	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1	ZINC000448300538	1075606911	/nfs/dbraw/zinc/60/69/11/1075606911.db2.gz	CQFPZDUDFQYPBR-GASCZTMLSA-N	1	1	402.465	2.468	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC3(OC)CCOCC3)cc2)CC1	ZINC000676592653	1075607575	/nfs/dbraw/zinc/60/75/75/1075607575.db2.gz	GFGVVKXVLNQWFV-UHFFFAOYSA-N	1	1	404.511	1.781	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCCC[C@H]2C2OCCO2)[NH+]2CCCC2)o1	ZINC000804176451	1075608664	/nfs/dbraw/zinc/60/86/64/1075608664.db2.gz	OSJBPAVUQFWSNC-IRXDYDNUSA-N	1	1	405.495	1.595	20	0		HDADMO
C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000676594451	1075612475	/nfs/dbraw/zinc/61/24/75/1075612475.db2.gz	UCTTXBMMIVLASX-ROUUACIJSA-N	1	1	417.554	1.522	20	0		HDADMO
C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000676594450	1075612503	/nfs/dbraw/zinc/61/25/03/1075612503.db2.gz	UCTTXBMMIVLASX-QZTJIDSGSA-N	1	1	417.554	1.522	20	0		HDADMO
CCN(C(=O)Cc1c(C)nc2nc(N)nn2c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000546975108	1075615401	/nfs/dbraw/zinc/61/54/01/1075615401.db2.gz	MXWIDROQPRELGQ-GOSISDBHSA-N	1	1	407.522	1.989	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@@H]([C@H](C)O)C3)cc2)CC1	ZINC000676622062	1075620948	/nfs/dbraw/zinc/62/09/48/1075620948.db2.gz	ICXVCVCQEDEMCB-FUHWJXTLSA-N	1	1	416.522	1.022	20	0		HDADMO
CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000676633401	1075625183	/nfs/dbraw/zinc/62/51/83/1075625183.db2.gz	BODDBDGYARZMGT-OLZOCXBDSA-N	1	1	411.351	1.994	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C	ZINC000804183286	1075627256	/nfs/dbraw/zinc/62/72/56/1075627256.db2.gz	QWPKLCRDTQOZNJ-FUHWJXTLSA-N	1	1	418.538	1.606	20	0		HDADMO
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1=O	ZINC000732127578	1075630615	/nfs/dbraw/zinc/63/06/15/1075630615.db2.gz	LLYVHBLWANALHQ-AVRDEDQJSA-N	1	1	414.506	1.167	20	0		HDADMO
C[C@]1(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC[N@H+](Cc2ccccc2)C1	ZINC000804192602	1075636651	/nfs/dbraw/zinc/63/66/51/1075636651.db2.gz	SPVKOMXDQYZEAF-IBGZPJMESA-N	1	1	405.520	1.398	20	0		HDADMO
C[C@]1(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC[N@@H+](Cc2ccccc2)C1	ZINC000804192602	1075636653	/nfs/dbraw/zinc/63/66/53/1075636653.db2.gz	SPVKOMXDQYZEAF-IBGZPJMESA-N	1	1	405.520	1.398	20	0		HDADMO
COc1ccccc1CCNC(=O)CNc1nc(N)c2cc(OC)c(OC)cc2[nH+]1	ZINC000435583488	1075639147	/nfs/dbraw/zinc/63/91/47/1075639147.db2.gz	JIPMJPCFUYLOLM-UHFFFAOYSA-N	1	1	411.462	1.431	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1	ZINC000606437487	1075640894	/nfs/dbraw/zinc/64/08/94/1075640894.db2.gz	UUMYKHOKFYVKKF-MRXNPFEDSA-N	1	1	413.526	1.315	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(CN2CC[NH+](CCOC(C)C)CC2)n1	ZINC000470975001	1075641520	/nfs/dbraw/zinc/64/15/20/1075641520.db2.gz	KGMVAWYZWFIVSV-UHFFFAOYSA-N	1	1	401.515	1.171	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCc2nncn2C2CC2)C[C@H](C)O1	ZINC000429457094	1075643556	/nfs/dbraw/zinc/64/35/56/1075643556.db2.gz	VMCDXOPNHQAJOV-GASCZTMLSA-N	1	1	412.494	1.477	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCc2nncn2C2CC2)C[C@H](C)O1	ZINC000429457094	1075643560	/nfs/dbraw/zinc/64/35/60/1075643560.db2.gz	VMCDXOPNHQAJOV-GASCZTMLSA-N	1	1	412.494	1.477	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000732166163	1075644617	/nfs/dbraw/zinc/64/46/17/1075644617.db2.gz	LUYSQIQFLHQYPX-AWEZNQCLSA-N	1	1	415.943	1.573	20	0		HDADMO
CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCc3nnc(N)o3)c2c1C	ZINC000436337857	1075648241	/nfs/dbraw/zinc/64/82/41/1075648241.db2.gz	YTHARWUTOUXACD-UHFFFAOYSA-N	1	1	405.484	1.858	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1	ZINC000732149329	1075650356	/nfs/dbraw/zinc/65/03/56/1075650356.db2.gz	HTUDKOVDEYWFCT-AWEZNQCLSA-N	1	1	407.565	1.290	20	0		HDADMO
COc1ccc(COC[C@H](O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC	ZINC000676701263	1075651754	/nfs/dbraw/zinc/65/17/54/1075651754.db2.gz	BLVJXHYFTLGIAF-WOJBJXKFSA-N	1	1	407.555	1.293	20	0		HDADMO
C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732190145	1075655929	/nfs/dbraw/zinc/65/59/29/1075655929.db2.gz	IJBBXALISWSYRU-FUHWJXTLSA-N	1	1	412.490	1.830	20	0		HDADMO
C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732190145	1075655933	/nfs/dbraw/zinc/65/59/33/1075655933.db2.gz	IJBBXALISWSYRU-FUHWJXTLSA-N	1	1	412.490	1.830	20	0		HDADMO
C[C@@]1(c2ccccc2F)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732191884	1075655979	/nfs/dbraw/zinc/65/59/79/1075655979.db2.gz	USHWBNHHRFLIBZ-VFNWGFHPSA-N	1	1	402.470	1.885	20	0		HDADMO
C[C@@]1(c2ccccc2F)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732191884	1075655984	/nfs/dbraw/zinc/65/59/84/1075655984.db2.gz	USHWBNHHRFLIBZ-VFNWGFHPSA-N	1	1	402.470	1.885	20	0		HDADMO
CCN(C(=O)C[N@@H+]1CCCOC[C@@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000676712621	1075657417	/nfs/dbraw/zinc/65/74/17/1075657417.db2.gz	BDUORCRPMVCBBX-HNNXBMFYSA-N	1	1	415.494	1.043	20	0		HDADMO
CCN(C(=O)C[N@H+]1CCCOC[C@@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000676712621	1075657425	/nfs/dbraw/zinc/65/74/25/1075657425.db2.gz	BDUORCRPMVCBBX-HNNXBMFYSA-N	1	1	415.494	1.043	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)NCCOc1ccc2c(c1)OCO2	ZINC000732210509	1075667332	/nfs/dbraw/zinc/66/73/32/1075667332.db2.gz	ISMSAHSRDCKGHN-INIZCTEOSA-N	1	1	403.479	1.387	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)NCCOc1ccc2c(c1)OCO2	ZINC000732210509	1075667339	/nfs/dbraw/zinc/66/73/39/1075667339.db2.gz	ISMSAHSRDCKGHN-INIZCTEOSA-N	1	1	403.479	1.387	20	0		HDADMO
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1=O	ZINC000429461317	1075672583	/nfs/dbraw/zinc/67/25/83/1075672583.db2.gz	IYCKKAHMMNSTBD-HPUSYDDDSA-N	1	1	406.571	1.917	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000732245024	1075678611	/nfs/dbraw/zinc/67/86/11/1075678611.db2.gz	QRPPVOWAUTWUPI-INIZCTEOSA-N	1	1	411.547	1.239	20	0		HDADMO
COc1cc(CNC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc(OC)c1OC	ZINC000029160127	1075691803	/nfs/dbraw/zinc/69/18/03/1075691803.db2.gz	GCCDLILIVQBNKA-UHFFFAOYSA-N	1	1	419.522	1.663	20	0		HDADMO
CCn1c(CNC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)nc2ccccc21	ZINC000785480273	1075693727	/nfs/dbraw/zinc/69/37/27/1075693727.db2.gz	LXTUNVZPVIUSNN-MRXNPFEDSA-N	1	1	413.522	1.384	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)ccn1	ZINC001084995886	1075695063	/nfs/dbraw/zinc/69/50/63/1075695063.db2.gz	GZJLMMYFEVAPPZ-QFCZJPRCSA-N	1	1	401.507	1.565	20	0		HDADMO
CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21	ZINC001084996237	1075695401	/nfs/dbraw/zinc/69/54/01/1075695401.db2.gz	XCTWPCKNXIJQLW-QBYKVAOYSA-N	1	1	403.527	1.081	20	0		HDADMO
CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21	ZINC001084996237	1075695403	/nfs/dbraw/zinc/69/54/03/1075695403.db2.gz	XCTWPCKNXIJQLW-QBYKVAOYSA-N	1	1	403.527	1.081	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)C[C@@H](C)O1	ZINC000542607102	1075699685	/nfs/dbraw/zinc/69/96/85/1075699685.db2.gz	JGSSFCFOLQZUOG-HUUCEWRRSA-N	1	1	406.531	1.726	20	0		HDADMO
COc1cc2[nH+]c(N[C@@H]3CCN(C(=O)COc4ccccc4)C3)nc(N)c2cc1OC	ZINC000509473676	1075703300	/nfs/dbraw/zinc/70/33/00/1075703300.db2.gz	WWPRSKLGOSZFJP-CQSZACIVSA-N	1	1	423.473	1.743	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446729333	1075704146	/nfs/dbraw/zinc/70/41/46/1075704146.db2.gz	PEDMSKLRMIBDPH-OAHLLOKOSA-N	1	1	423.439	2.507	20	0		HDADMO
COc1cc2[nH+]c(N3CC(S(=O)(=O)NC4CCCC4)C3)nc(N)c2cc1OC	ZINC000445608926	1075704991	/nfs/dbraw/zinc/70/49/91/1075704991.db2.gz	STKDCGKYYWYVLQ-UHFFFAOYSA-N	1	1	407.496	1.280	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H]1C(C)(C)O	ZINC000509437295	1075705556	/nfs/dbraw/zinc/70/55/56/1075705556.db2.gz	JQRXSGGHBYEKNT-IEBWSBKVSA-N	1	1	402.539	1.075	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN(c3nc(N)ns3)CC2)cc1F	ZINC000425993190	1075707312	/nfs/dbraw/zinc/70/73/12/1075707312.db2.gz	JWYOFBPFZCHQPI-UHFFFAOYSA-N	1	1	416.486	1.785	20	0		HDADMO
C[C@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000732339651	1075709956	/nfs/dbraw/zinc/70/99/56/1075709956.db2.gz	QSDLLHDPUVHMTN-YOEHRIQHSA-N	1	1	421.453	1.506	20	0		HDADMO
C[C@H](CCNC(=O)N1CCN(c2nc(N)ns2)CC1)[N@@H+](C)Cc1ccccc1	ZINC000494418222	1075710566	/nfs/dbraw/zinc/71/05/66/1075710566.db2.gz	NSXRVDWXDWDNPG-OAHLLOKOSA-N	1	1	403.556	1.863	20	0		HDADMO
Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)CC1	ZINC000498563255	1075713066	/nfs/dbraw/zinc/71/30/66/1075713066.db2.gz	IVVUOTLAXGKGLI-HXUWFJFHSA-N	1	1	421.505	1.851	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1	ZINC000551220941	1075714179	/nfs/dbraw/zinc/71/41/79/1075714179.db2.gz	FPSXDEZCUFILEG-TZMCWYRMSA-N	1	1	413.444	1.760	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc(CNc2ccncn2)c1	ZINC000542602910	1075715167	/nfs/dbraw/zinc/71/51/67/1075715167.db2.gz	OGUPJVPNHVFELI-LJQANCHMSA-N	1	1	410.522	1.761	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CCO)Cc1ccccc1	ZINC000509438822	1075715354	/nfs/dbraw/zinc/71/53/54/1075715354.db2.gz	CPPGLISRWSWAQW-FQEVSTJZSA-N	1	1	424.545	1.334	20	0		HDADMO
Cn1cnc(NC(=O)C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)n1	ZINC000568774407	1075718286	/nfs/dbraw/zinc/71/82/86/1075718286.db2.gz	FARODUVETHUQLG-UHFFFAOYSA-N	1	1	402.458	1.668	20	0		HDADMO
Cn1cnc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1	ZINC000555938573	1075719240	/nfs/dbraw/zinc/71/92/40/1075719240.db2.gz	QYULPRKOPVENHT-UKRRQHHQSA-N	1	1	424.427	1.972	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)nc2ccccc12	ZINC000485546173	1075727743	/nfs/dbraw/zinc/72/77/43/1075727743.db2.gz	GBZGVNDCXWKBNJ-MOPGFXCFSA-N	1	1	409.538	1.666	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1C1CC1	ZINC000584750676	1075727912	/nfs/dbraw/zinc/72/79/12/1075727912.db2.gz	KWTHCKUJNMCVCE-UHFFFAOYSA-N	1	1	417.460	2.295	20	0		HDADMO
Nc1nc(CN2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)nc2ccccc12	ZINC000533021987	1075730722	/nfs/dbraw/zinc/73/07/22/1075730722.db2.gz	UHTYGZJTNGKYOS-UHFFFAOYSA-N	1	1	415.505	1.548	20	0		HDADMO
NS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1	ZINC000509259263	1075731540	/nfs/dbraw/zinc/73/15/40/1075731540.db2.gz	FDNROEIUMZATEJ-UHFFFAOYSA-N	1	1	411.430	1.978	20	0		HDADMO
COC(=O)c1cc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccc1F	ZINC000732423631	1075734008	/nfs/dbraw/zinc/73/40/08/1075734008.db2.gz	CDGOWKDOVRLPFC-UHFFFAOYSA-N	1	1	406.458	1.630	20	0		HDADMO
CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CC(=O)N(CCOC)C3)c2c1C	ZINC000509443427	1075737809	/nfs/dbraw/zinc/73/78/09/1075737809.db2.gz	AKVBMNQLHPQWMA-UHFFFAOYSA-N	1	1	421.523	1.491	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCCO1	ZINC000509443406	1075737819	/nfs/dbraw/zinc/73/78/19/1075737819.db2.gz	ZXZDAMAEDYIRKY-UYAOXDASSA-N	1	1	402.539	1.341	20	0		HDADMO
C[N@@H+](CCN1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1)Cc1ccccc1	ZINC000429475907	1075739725	/nfs/dbraw/zinc/73/97/25/1075739725.db2.gz	ZTIWRTXWLXXPQH-HXUWFJFHSA-N	1	1	415.582	1.845	20	0		HDADMO
CC(C)[C@@H](NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1nncn1C	ZINC000509259980	1075741978	/nfs/dbraw/zinc/74/19/78/1075741978.db2.gz	YTXUZNYAJIWHEA-GOSISDBHSA-N	1	1	405.547	1.098	20	0		HDADMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509259556	1075745391	/nfs/dbraw/zinc/74/53/91/1075745391.db2.gz	VNCUIFSDIUICEM-CABCVRRESA-N	1	1	400.570	1.494	20	0		HDADMO
CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000732465997	1075753602	/nfs/dbraw/zinc/75/36/02/1075753602.db2.gz	PBUWFUADNUUERO-HDMKZQKVSA-N	1	1	406.914	1.950	20	0		HDADMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000497662960	1075754965	/nfs/dbraw/zinc/75/49/65/1075754965.db2.gz	GVHYPLFZKCAPSI-HZSPNIEDSA-N	1	1	402.499	1.865	20	0		HDADMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)C1CCCCC1	ZINC000468431631	1075759646	/nfs/dbraw/zinc/75/96/46/1075759646.db2.gz	XNXGNTAZJAAZNS-UHFFFAOYSA-N	1	1	412.538	2.230	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1	ZINC000732484408	1075762721	/nfs/dbraw/zinc/76/27/21/1075762721.db2.gz	CIJBNXGUDUBXIV-FQEVSTJZSA-N	1	1	424.501	1.344	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCc3ccccc3C2=O)CC1=O	ZINC000466642292	1075762840	/nfs/dbraw/zinc/76/28/40/1075762840.db2.gz	BAIRCWGLBMABFZ-RBUKOAKNSA-N	1	1	412.534	1.134	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000555813887	1075768659	/nfs/dbraw/zinc/76/86/59/1075768659.db2.gz	GAJHPJQMGMZETM-OXJNMPFZSA-N	1	1	421.505	2.288	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000555813887	1075768662	/nfs/dbraw/zinc/76/86/62/1075768662.db2.gz	GAJHPJQMGMZETM-OXJNMPFZSA-N	1	1	421.505	2.288	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)C1CC1	ZINC000804223766	1075775561	/nfs/dbraw/zinc/77/55/61/1075775561.db2.gz	HJEVFXVYTXJAQE-DOTOQJQBSA-N	1	1	410.559	1.881	20	0		HDADMO
CC(=O)N1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)Oc2ccccc21	ZINC000732558408	1075785253	/nfs/dbraw/zinc/78/52/53/1075785253.db2.gz	AHHMUHHSGXKLBY-GHTZIAJQSA-N	1	1	400.523	1.427	20	0		HDADMO
CC(=O)N1C[C@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)Oc2ccccc21	ZINC000732558408	1075785256	/nfs/dbraw/zinc/78/52/56/1075785256.db2.gz	AHHMUHHSGXKLBY-GHTZIAJQSA-N	1	1	400.523	1.427	20	0		HDADMO
COc1ccc(C)cc1[C@]1(C)NC(=O)N(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O	ZINC000486454364	1075787125	/nfs/dbraw/zinc/78/71/25/1075787125.db2.gz	IOIIERGUIOHBMA-YJXLLHPSSA-N	1	1	405.495	1.241	20	0		HDADMO
COc1ccc(C)cc1[C@]1(C)NC(=O)N(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O	ZINC000486454364	1075787128	/nfs/dbraw/zinc/78/71/28/1075787128.db2.gz	IOIIERGUIOHBMA-YJXLLHPSSA-N	1	1	405.495	1.241	20	0		HDADMO
CC(C)(C)n1cnc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1	ZINC000559027275	1075789418	/nfs/dbraw/zinc/78/94/18/1075789418.db2.gz	FMXYAZWUKVZONS-QGZVFWFLSA-N	1	1	412.538	2.389	20	0		HDADMO
CN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565121	1075789668	/nfs/dbraw/zinc/78/96/68/1075789668.db2.gz	VRSHRKBHGPXWKI-YJBOKZPZSA-N	1	1	417.476	1.187	20	0		HDADMO
CN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565121	1075789672	/nfs/dbraw/zinc/78/96/72/1075789672.db2.gz	VRSHRKBHGPXWKI-YJBOKZPZSA-N	1	1	417.476	1.187	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)CC[C@H]21	ZINC000484434789	1075790146	/nfs/dbraw/zinc/79/01/46/1075790146.db2.gz	DVKQRFOIXWIMGD-NVXWUHKLSA-N	1	1	416.913	1.861	20	0		HDADMO
C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)C2)C1	ZINC000480100339	1075790466	/nfs/dbraw/zinc/79/04/66/1075790466.db2.gz	PIIXPSDJRXCJFK-FQEVSTJZSA-N	1	1	416.913	1.863	20	0		HDADMO
CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)c(=O)c1	ZINC000486823286	1075790445	/nfs/dbraw/zinc/79/04/45/1075790445.db2.gz	KKLIVKYHNRITBZ-ANTGDGSKSA-N	1	1	421.586	1.195	20	0		HDADMO
CC(C)N(C)c1cnn([C@@H]2CCCN(C[C@@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)C2)c(=O)c1	ZINC000486823286	1075790450	/nfs/dbraw/zinc/79/04/50/1075790450.db2.gz	KKLIVKYHNRITBZ-ANTGDGSKSA-N	1	1	421.586	1.195	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC000429102937	1075790769	/nfs/dbraw/zinc/79/07/69/1075790769.db2.gz	MFPRWYZNDCJQSX-ZBFHGGJFSA-N	1	1	422.489	2.334	20	0		HDADMO
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1	ZINC000427010761	1075790917	/nfs/dbraw/zinc/79/09/17/1075790917.db2.gz	YJNFDMBZUSDWKA-IEBWSBKVSA-N	1	1	424.549	2.040	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)Nc3ccn(CC(F)F)n3)cc2)CC1	ZINC000483510082	1075791165	/nfs/dbraw/zinc/79/11/65/1075791165.db2.gz	OMZMJZQZVBYBSV-UHFFFAOYSA-N	1	1	406.437	1.858	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1	ZINC000446788243	1075796047	/nfs/dbraw/zinc/79/60/47/1075796047.db2.gz	VYRNHIJZBPJOJN-LSDHHAIUSA-N	1	1	415.460	2.497	20	0		HDADMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc1ccccc1	ZINC001129307350	1075800453	/nfs/dbraw/zinc/80/04/53/1075800453.db2.gz	WXWITQCVCVDJLT-RTBURBONSA-N	1	1	402.539	1.312	20	0		HDADMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc1ccccc1	ZINC001129307350	1075800461	/nfs/dbraw/zinc/80/04/61/1075800461.db2.gz	WXWITQCVCVDJLT-RTBURBONSA-N	1	1	402.539	1.312	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)CC1	ZINC000521261396	1075802762	/nfs/dbraw/zinc/80/27/62/1075802762.db2.gz	QIYMDWCKLLGOHN-UHFFFAOYSA-N	1	1	402.524	1.769	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CC)c2CC)CC1	ZINC000487838614	1075804852	/nfs/dbraw/zinc/80/48/52/1075804852.db2.gz	OHPYLYJSUXSQFP-UHFFFAOYSA-N	1	1	402.539	1.857	20	0		HDADMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccn(CCc3ccncc3)n2)C[C@H](C)O1	ZINC000438267261	1075808074	/nfs/dbraw/zinc/80/80/74/1075808074.db2.gz	POFNUKCFZWFJQH-IRXDYDNUSA-N	1	1	400.527	2.530	20	0		HDADMO
C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C(=O)Nc3ccon3)cc2)C[C@H]1C	ZINC000541670224	1075809009	/nfs/dbraw/zinc/80/90/09/1075809009.db2.gz	OEKYAQCEZYJGIG-IYBDPMFKSA-N	1	1	400.479	1.939	20	0		HDADMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000143212765	1075809387	/nfs/dbraw/zinc/80/93/87/1075809387.db2.gz	LNBGVHRMKTYWEB-FQEVSTJZSA-N	1	1	402.458	1.917	20	0		HDADMO
C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC[N@H+]1Cc1ccccc1	ZINC000578680100	1075814734	/nfs/dbraw/zinc/81/47/34/1075814734.db2.gz	BUNLXTLDKKHNDX-PKOBYXMFSA-N	1	1	412.538	2.488	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(c4cc(F)ccc4F)=NO3)CC2)CC1	ZINC000732654941	1075817410	/nfs/dbraw/zinc/81/74/10/1075817410.db2.gz	HEDVSRFIRSFPMF-LJQANCHMSA-N	1	1	420.460	1.470	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1	ZINC000429291614	1075827200	/nfs/dbraw/zinc/82/72/00/1075827200.db2.gz	UZXBEGBUPRSXPU-ACDBMABISA-N	1	1	416.566	1.620	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000732698985	1075834526	/nfs/dbraw/zinc/83/45/26/1075834526.db2.gz	RISDNWFODWXVDX-AWEZNQCLSA-N	1	1	414.494	1.578	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000732704554	1075837412	/nfs/dbraw/zinc/83/74/12/1075837412.db2.gz	YLPDLXYJSJKRQP-ZDUSSCGKSA-N	1	1	400.467	1.189	20	0		HDADMO
COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000611107079	1075838257	/nfs/dbraw/zinc/83/82/57/1075838257.db2.gz	YWANVVCPAOOGHZ-LBPRGKRZSA-N	1	1	403.298	1.751	20	0		HDADMO
COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000611107079	1075838262	/nfs/dbraw/zinc/83/82/62/1075838262.db2.gz	YWANVVCPAOOGHZ-LBPRGKRZSA-N	1	1	403.298	1.751	20	0		HDADMO
CC[N@H+]1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C[C@@H]1C	ZINC000611091713	1075840130	/nfs/dbraw/zinc/84/01/30/1075840130.db2.gz	BQFBICNPJOVBIL-NSHDSACASA-N	1	1	422.507	1.013	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000611097553	1075842053	/nfs/dbraw/zinc/84/20/53/1075842053.db2.gz	HLZIBWQAAAVJQU-KDOFPFPSSA-N	1	1	401.467	1.808	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000611097553	1075842058	/nfs/dbraw/zinc/84/20/58/1075842058.db2.gz	HLZIBWQAAAVJQU-KDOFPFPSSA-N	1	1	401.467	1.808	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1	ZINC000611099768	1075843534	/nfs/dbraw/zinc/84/35/34/1075843534.db2.gz	SDXKYWRYBZCZSD-MRXNPFEDSA-N	1	1	413.478	1.506	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429295051	1075846300	/nfs/dbraw/zinc/84/63/00/1075846300.db2.gz	AAXRUZACVJHQPF-BZSNNMDCSA-N	1	1	418.538	1.749	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](Cc2ccccc2C)CC1	ZINC000429299762	1075862040	/nfs/dbraw/zinc/86/20/40/1075862040.db2.gz	GPSDHVZBEJXJEO-IRXDYDNUSA-N	1	1	404.511	1.279	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)C2)CC1	ZINC000732781378	1075864756	/nfs/dbraw/zinc/86/47/56/1075864756.db2.gz	QJJWWKOELZQYBZ-DZGCQCFKSA-N	1	1	406.449	1.434	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)C2)CC1	ZINC000732781378	1075864759	/nfs/dbraw/zinc/86/47/59/1075864759.db2.gz	QJJWWKOELZQYBZ-DZGCQCFKSA-N	1	1	406.449	1.434	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1	ZINC000429302031	1075865144	/nfs/dbraw/zinc/86/51/44/1075865144.db2.gz	PZLDQOWUEIKZGZ-GJZGRUSLSA-N	1	1	406.483	1.399	20	0		HDADMO
Cc1ccc(N2C[C@H](C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2=O)cc1F	ZINC000732782371	1075866092	/nfs/dbraw/zinc/86/60/92/1075866092.db2.gz	YAQYQFNDXKILDP-SJORKVTESA-N	1	1	402.514	1.772	20	0		HDADMO
Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2=O)cc1F	ZINC000732782371	1075866095	/nfs/dbraw/zinc/86/60/95/1075866095.db2.gz	YAQYQFNDXKILDP-SJORKVTESA-N	1	1	402.514	1.772	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1	ZINC000732781729	1075866921	/nfs/dbraw/zinc/86/69/21/1075866921.db2.gz	SLRPEMKNGYMAAD-UXHICEINSA-N	1	1	410.562	1.813	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1	ZINC000732781729	1075866937	/nfs/dbraw/zinc/86/69/37/1075866937.db2.gz	SLRPEMKNGYMAAD-UXHICEINSA-N	1	1	410.562	1.813	20	0		HDADMO
CCc1ccc([C@]2(CC)NC(=O)N(C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1	ZINC000489106322	1075867156	/nfs/dbraw/zinc/86/71/56/1075867156.db2.gz	USEPYQYRNNLZOG-LQLPYNBSSA-N	1	1	403.523	1.876	20	0		HDADMO
CCc1ccc([C@]2(CC)NC(=O)N(C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1	ZINC000489106322	1075867165	/nfs/dbraw/zinc/86/71/65/1075867165.db2.gz	USEPYQYRNNLZOG-LQLPYNBSSA-N	1	1	403.523	1.876	20	0		HDADMO
COC(=O)C1CCN(C(=O)[C@H](C)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1	ZINC000611180901	1075868527	/nfs/dbraw/zinc/86/85/27/1075868527.db2.gz	FKIREBPUVYYNCZ-SFHVURJKSA-N	1	1	408.587	1.277	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(C(=O)CSCC(=O)N3CCCCC3)CC2)CC1	ZINC000611176927	1075869500	/nfs/dbraw/zinc/86/95/00/1075869500.db2.gz	INKRQRIYXLUBNF-UHFFFAOYSA-N	1	1	410.628	1.749	20	0		HDADMO
C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810326	1075871362	/nfs/dbraw/zinc/87/13/62/1075871362.db2.gz	LHNBAYHLBSQSBS-AWEZNQCLSA-N	1	1	400.401	1.498	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000732809817	1075871906	/nfs/dbraw/zinc/87/19/06/1075871906.db2.gz	YRGYBILQKNOWOF-INIZCTEOSA-N	1	1	403.479	1.387	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000732809817	1075871911	/nfs/dbraw/zinc/87/19/11/1075871911.db2.gz	YRGYBILQKNOWOF-INIZCTEOSA-N	1	1	403.479	1.387	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732812275	1075873440	/nfs/dbraw/zinc/87/34/40/1075873440.db2.gz	NBQUBMPNGVVYAV-QFBILLFUSA-N	1	1	401.507	1.955	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732812275	1075873443	/nfs/dbraw/zinc/87/34/43/1075873443.db2.gz	NBQUBMPNGVVYAV-QFBILLFUSA-N	1	1	401.507	1.955	20	0		HDADMO
CCOC(=O)COc1ccc(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000611211211	1075874743	/nfs/dbraw/zinc/87/47/43/1075874743.db2.gz	UDRWKOYTMMDVGQ-SIKLNZKXSA-N	1	1	419.566	1.965	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@H]1C	ZINC000611225411	1075880623	/nfs/dbraw/zinc/88/06/23/1075880623.db2.gz	WIQIOKORADQSGB-NEPJUHHUSA-N	1	1	411.524	1.983	20	0		HDADMO
C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000611244138	1075884876	/nfs/dbraw/zinc/88/48/76/1075884876.db2.gz	DNUKWJQOJVOUEW-DYVFJYSZSA-N	1	1	405.474	1.276	20	0		HDADMO
CCOC(=O)c1ccc(NC(=O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000611244176	1075885069	/nfs/dbraw/zinc/88/50/69/1075885069.db2.gz	GOKGQGUCXROKQH-SFHVURJKSA-N	1	1	402.495	1.216	20	0		HDADMO
COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000611244250	1075885339	/nfs/dbraw/zinc/88/53/39/1075885339.db2.gz	NCBNOXYDXLVGRF-DNVCBOLYSA-N	1	1	416.522	1.523	20	0		HDADMO
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000611281010	1075891379	/nfs/dbraw/zinc/89/13/79/1075891379.db2.gz	IPKJDOVKRXKLGO-IBGZPJMESA-N	1	1	403.523	1.778	20	0		HDADMO
CN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732886240	1075892434	/nfs/dbraw/zinc/89/24/34/1075892434.db2.gz	USPWEDNUCAFWOM-ZDUSSCGKSA-N	1	1	404.458	1.911	20	0		HDADMO
CN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732886240	1075892440	/nfs/dbraw/zinc/89/24/40/1075892440.db2.gz	USPWEDNUCAFWOM-ZDUSSCGKSA-N	1	1	404.458	1.911	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732891573	1075894303	/nfs/dbraw/zinc/89/43/03/1075894303.db2.gz	NVHQASIUJQYBBS-UHFFFAOYSA-N	1	1	402.483	1.579	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)cc2F)C[C@H](C)O1	ZINC000732895854	1075898346	/nfs/dbraw/zinc/89/83/46/1075898346.db2.gz	HOKJAVZFFPEWAR-GASCZTMLSA-N	1	1	424.542	1.543	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000611321391	1075899807	/nfs/dbraw/zinc/89/98/07/1075899807.db2.gz	AAQRFCXALXEZDV-INIZCTEOSA-N	1	1	405.495	1.475	20	0		HDADMO
CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1	ZINC000732897126	1075900479	/nfs/dbraw/zinc/90/04/79/1075900479.db2.gz	WTBXSAVKIPVJDY-UHFFFAOYSA-N	1	1	408.524	1.995	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccc(OCc2cccnc2)cc1	ZINC000732896955	1075900774	/nfs/dbraw/zinc/90/07/74/1075900774.db2.gz	UECRESOBWSYOCC-UHFFFAOYSA-N	1	1	400.504	1.764	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1	ZINC000611323913	1075901124	/nfs/dbraw/zinc/90/11/24/1075901124.db2.gz	XKIPLIGFKQTYEE-HNNXBMFYSA-N	1	1	407.486	1.945	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1	ZINC000611323913	1075901127	/nfs/dbraw/zinc/90/11/27/1075901127.db2.gz	XKIPLIGFKQTYEE-HNNXBMFYSA-N	1	1	407.486	1.945	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1	ZINC000611327233	1075907504	/nfs/dbraw/zinc/90/75/04/1075907504.db2.gz	PWEZBEMTIBUSEM-IAGOWNOFSA-N	1	1	410.559	1.550	20	0		HDADMO
COC(=O)c1cc2cc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)ccc2o1	ZINC000611365627	1075913603	/nfs/dbraw/zinc/91/36/03/1075913603.db2.gz	IDOIPCKJIMSSMV-CVEARBPZSA-N	1	1	415.446	1.216	20	0		HDADMO
CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](CC(=O)N(C)C)c1ccccc1	ZINC000611384879	1075923106	/nfs/dbraw/zinc/92/31/06/1075923106.db2.gz	OCEKNPYBNOVXNS-MRXNPFEDSA-N	1	1	401.467	1.345	20	0		HDADMO
COC(=O)c1sc2[nH]c(C[NH2+][C@H](C(=O)N3CCCC3)C(C)C)nc(=O)c2c1C	ZINC000611395059	1075924655	/nfs/dbraw/zinc/92/46/55/1075924655.db2.gz	AUUPFKUWCIIUDI-AWEZNQCLSA-N	1	1	406.508	1.816	20	0		HDADMO
COC(=O)C1(c2ccc(S(=O)(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc2)CC1	ZINC000611445556	1075935598	/nfs/dbraw/zinc/93/55/98/1075935598.db2.gz	SLKXWGHEZRFWRC-SFHVURJKSA-N	1	1	422.547	1.767	20	0		HDADMO
COC(=O)C1(c2ccc(S(=O)(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2)CC1	ZINC000611445556	1075935602	/nfs/dbraw/zinc/93/56/02/1075935602.db2.gz	SLKXWGHEZRFWRC-SFHVURJKSA-N	1	1	422.547	1.767	20	0		HDADMO
C[N@@H+](CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C1CC1	ZINC000143825132	1075937669	/nfs/dbraw/zinc/93/76/69/1075937669.db2.gz	HQJDWXAAISUUKW-UHFFFAOYSA-N	1	1	416.341	1.714	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1	ZINC000611456668	1075938873	/nfs/dbraw/zinc/93/88/73/1075938873.db2.gz	LFCDWUVNDQNCBS-CYBMUJFWSA-N	1	1	410.540	1.171	20	0		HDADMO
CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000611510622	1075951168	/nfs/dbraw/zinc/95/11/68/1075951168.db2.gz	BUKOWHGVVQZVFH-KRWDZBQOSA-N	1	1	414.499	1.878	20	0		HDADMO
CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000611510622	1075951170	/nfs/dbraw/zinc/95/11/70/1075951170.db2.gz	BUKOWHGVVQZVFH-KRWDZBQOSA-N	1	1	414.499	1.878	20	0		HDADMO
CCOC(=O)c1c2c(sc1NC(=O)C(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CCC2	ZINC000611521809	1075951789	/nfs/dbraw/zinc/95/17/89/1075951789.db2.gz	UQDQUIFLDCPVOB-JSGCOSHPSA-N	1	1	405.520	1.905	20	0		HDADMO
CCOC(=O)c1c(CC)c(C)sc1NC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1	ZINC000611522656	1075951920	/nfs/dbraw/zinc/95/19/20/1075951920.db2.gz	QHBDSLNIPSXUIO-UHFFFAOYSA-N	1	1	424.567	1.440	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)[nH+]2)cc1	ZINC000104625851	1075954560	/nfs/dbraw/zinc/95/45/60/1075954560.db2.gz	GEBCICNQWAOOAO-JTQLQIEISA-N	1	1	410.525	1.447	20	0		HDADMO
C[N@@H+](CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CCCCC1	ZINC000733038016	1075961520	/nfs/dbraw/zinc/96/15/20/1075961520.db2.gz	BJWVCKDTBZPFIE-UHFFFAOYSA-N	1	1	410.531	1.815	20	0		HDADMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733038193	1075961842	/nfs/dbraw/zinc/96/18/42/1075961842.db2.gz	CAYGXWUMRICIGL-ZNMIVQPWSA-N	1	1	424.558	1.916	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733039977	1075962768	/nfs/dbraw/zinc/96/27/68/1075962768.db2.gz	YQVIMCXHBRNXKD-ZIAGYGMSSA-N	1	1	410.531	1.670	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC2(CC[NH+](Cc3cnns3)CC2)[C@H]2COC[C@H]21	ZINC001079252358	1075967341	/nfs/dbraw/zinc/96/73/41/1075967341.db2.gz	HLTYXHOMUNMBPZ-LUMDGCDRSA-N	1	1	416.547	1.401	20	0		HDADMO
C[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H](C)N1C(=O)OC(C)(C)C	ZINC000733087890	1075971261	/nfs/dbraw/zinc/97/12/61/1075971261.db2.gz	VPJCLZQTHMVVKS-IYBDPMFKSA-N	1	1	400.589	1.913	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1=O	ZINC000733140729	1075973758	/nfs/dbraw/zinc/97/37/58/1075973758.db2.gz	VFMVNAVUFNJZGE-MOPGFXCFSA-N	1	1	421.563	1.050	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1=O	ZINC000733140732	1075973785	/nfs/dbraw/zinc/97/37/85/1075973785.db2.gz	VFMVNAVUFNJZGE-RTBURBONSA-N	1	1	421.563	1.050	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(OC)cc2C(=O)NC)CC1=O	ZINC000733143120	1075975324	/nfs/dbraw/zinc/97/53/24/1075975324.db2.gz	BCSICRIBJLTHKE-CABCVRRESA-N	1	1	402.495	1.326	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)CC1=O	ZINC000733129605	1075979562	/nfs/dbraw/zinc/97/95/62/1075979562.db2.gz	GXJGBNHIYKENFO-HIFRSBDPSA-N	1	1	413.478	1.621	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCNc2ncnc3sccc32)CC1=O	ZINC000733133089	1075980908	/nfs/dbraw/zinc/98/09/08/1075980908.db2.gz	INWWDDMZPZOLME-GJZGRUSLSA-N	1	1	416.551	1.552	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1=O	ZINC000733134469	1075981222	/nfs/dbraw/zinc/98/12/22/1075981222.db2.gz	QKXRUQBGUJVRMU-AEFFLSMTSA-N	1	1	422.570	1.835	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCNc2ncnc3sccc32)CC1=O	ZINC000733133091	1075981274	/nfs/dbraw/zinc/98/12/74/1075981274.db2.gz	INWWDDMZPZOLME-LSDHHAIUSA-N	1	1	416.551	1.552	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1=O	ZINC000733135866	1075981684	/nfs/dbraw/zinc/98/16/84/1075981684.db2.gz	KZLKWDYGGNMDRC-IAGOWNOFSA-N	1	1	410.559	1.692	20	0		HDADMO
Cc1csc2nc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)cc(=O)n12	ZINC001080159854	1075983651	/nfs/dbraw/zinc/98/36/51/1075983651.db2.gz	YTQJDXUJKRQIGP-FQFHLPOYSA-N	1	1	414.531	1.424	20	0		HDADMO
Cc1csc2nc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)cc(=O)n12	ZINC001080159854	1075983655	/nfs/dbraw/zinc/98/36/55/1075983655.db2.gz	YTQJDXUJKRQIGP-FQFHLPOYSA-N	1	1	414.531	1.424	20	0		HDADMO
C[C@@H]1C[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163451	1075983994	/nfs/dbraw/zinc/98/39/94/1075983994.db2.gz	ICCFLNLHYGWXDT-XVCYEZIBSA-N	1	1	409.486	1.143	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)OC)C1	ZINC001545676750	1075986342	/nfs/dbraw/zinc/98/63/42/1075986342.db2.gz	JCFPYRHWZWNFHO-JKSUJKDBSA-N	1	1	406.531	1.130	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[S@@](=O)Cc2ccccc2)CC1=O	ZINC000733153346	1075988131	/nfs/dbraw/zinc/98/81/31/1075988131.db2.gz	SXXKOOCVUPZXFD-BIALHBOASA-N	1	1	405.564	1.384	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000733156908	1075989167	/nfs/dbraw/zinc/98/91/67/1075989167.db2.gz	JYMXTWVLQUXUJI-GOSISDBHSA-N	1	1	416.595	1.930	20	0		HDADMO
CC(C)[C@@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)N1CC[NH+](C)CC1	ZINC000733157311	1075990655	/nfs/dbraw/zinc/99/06/55/1075990655.db2.gz	ZPSDSVDVKNJWCB-CQSZACIVSA-N	1	1	408.597	1.684	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2C)no1	ZINC000510732176	1075991138	/nfs/dbraw/zinc/99/11/38/1075991138.db2.gz	HCONWHALSCICBV-SFHVURJKSA-N	1	1	401.515	1.173	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOC[C@H]2c2nnc(-c3cccs3)o2)C[C@H](C)O1	ZINC000510938475	1075991950	/nfs/dbraw/zinc/99/19/50/1075991950.db2.gz	SHZYPVYXCUZSNW-FZKCQIBNSA-N	1	1	408.524	1.642	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCOC[C@H]2c2nnc(-c3cccs3)o2)C[C@H](C)O1	ZINC000510938475	1075991952	/nfs/dbraw/zinc/99/19/52/1075991952.db2.gz	SHZYPVYXCUZSNW-FZKCQIBNSA-N	1	1	408.524	1.642	20	0		HDADMO
CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1	ZINC000733163023	1075997023	/nfs/dbraw/zinc/99/70/23/1075997023.db2.gz	AMIMGJFHXTVKNQ-UHFFFAOYSA-N	1	1	414.547	1.222	20	0		HDADMO
CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1	ZINC000733163023	1075997024	/nfs/dbraw/zinc/99/70/24/1075997024.db2.gz	AMIMGJFHXTVKNQ-UHFFFAOYSA-N	1	1	414.547	1.222	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1	ZINC000733197935	1076003234	/nfs/dbraw/zinc/00/32/34/1076003234.db2.gz	VQQPIOVHTQXDHQ-WKSDAVQWSA-N	1	1	421.563	1.490	20	0		HDADMO
COC[C@H]1CCCN(CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1	ZINC000733184910	1076011532	/nfs/dbraw/zinc/01/15/32/1076011532.db2.gz	ZABMRXXMVCVTGD-SIKLNZKXSA-N	1	1	400.523	1.889	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCOc2cc(C)ccc2C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959366	1076019167	/nfs/dbraw/zinc/01/91/67/1076019167.db2.gz	FJHQSVVZBDKKDK-JGAQBGERSA-N	1	1	400.519	1.921	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Oc2ccc(NC(=O)COC)cc2)CC1=O	ZINC000733270242	1076025792	/nfs/dbraw/zinc/02/57/92/1076025792.db2.gz	MGKWZMWVTKSJHW-DOTOQJQBSA-N	1	1	403.479	1.510	20	0		HDADMO
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000727057255	1076035187	/nfs/dbraw/zinc/03/51/87/1076035187.db2.gz	HLXPUVPZKHSCST-HSZRJFAPSA-N	1	1	421.501	1.303	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)NCCNC(=O)OC(C)(C)C)c2cccs2)CC1	ZINC000727059360	1076035516	/nfs/dbraw/zinc/03/55/16/1076035516.db2.gz	GXYAFSJGJSLQHA-HNNXBMFYSA-N	1	1	411.572	1.861	20	0		HDADMO
CC(C)[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1	ZINC000733294779	1076041129	/nfs/dbraw/zinc/04/11/29/1076041129.db2.gz	CCTWPBLJUAEGLJ-SJORKVTESA-N	1	1	410.559	1.801	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC(=O)OCc2ccccc2Cl)C1	ZINC000733347408	1076043131	/nfs/dbraw/zinc/04/31/31/1076043131.db2.gz	XFKJADUCHREFCT-CQSZACIVSA-N	1	1	410.902	1.270	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)CC1	ZINC000733338533	1076046177	/nfs/dbraw/zinc/04/61/77/1076046177.db2.gz	YWZPUOFURDULKH-HUUCEWRRSA-N	1	1	411.547	1.236	20	0		HDADMO
CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1	ZINC000727136581	1076051422	/nfs/dbraw/zinc/05/14/22/1076051422.db2.gz	YHFQNVFAQNYUGG-MSOLQXFVSA-N	1	1	410.559	1.692	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)c1ccco1	ZINC000054920333	1076065113	/nfs/dbraw/zinc/06/51/13/1076065113.db2.gz	LCOJTSNTWGULPD-IBGZPJMESA-N	1	1	413.522	1.526	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](CCC(N)=O)C3)CC2)c(F)c1	ZINC000727158353	1076071457	/nfs/dbraw/zinc/07/14/57/1076071457.db2.gz	NZGPNZBCWMCMGZ-QGZVFWFLSA-N	1	1	418.513	1.654	20	0		HDADMO
C[C@H](OC(=O)c1cccn(C)c1=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000733504883	1076086013	/nfs/dbraw/zinc/08/60/13/1076086013.db2.gz	VEOQTXCOQSOJNM-INIZCTEOSA-N	1	1	413.474	1.079	20	0		HDADMO
O=C(OCCCN1C(=O)CNC1=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000733529996	1076095412	/nfs/dbraw/zinc/09/54/12/1076095412.db2.gz	GHPNHCBDCOURPX-SFHVURJKSA-N	1	1	413.396	1.926	20	0		HDADMO
CCS(=O)(=O)NCCOC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000733532700	1076096178	/nfs/dbraw/zinc/09/61/78/1076096178.db2.gz	XKWWFNIDUBXRQM-MRXNPFEDSA-N	1	1	408.442	1.924	20	0		HDADMO
C[C@H]1C[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCCO1	ZINC000727436435	1076120689	/nfs/dbraw/zinc/12/06/89/1076120689.db2.gz	JCGTVWLPJILUOY-KNGSKEOJSA-N	1	1	404.492	1.345	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCCO1	ZINC000727436435	1076120694	/nfs/dbraw/zinc/12/06/94/1076120694.db2.gz	JCGTVWLPJILUOY-KNGSKEOJSA-N	1	1	404.492	1.345	20	0		HDADMO
C[C@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@@H](O)CN4CCCC4)CC3)cc2NC1=O	ZINC000727463288	1076135874	/nfs/dbraw/zinc/13/58/74/1076135874.db2.gz	HTDOPURFEBSKBT-QAPCUYQASA-N	1	1	401.507	1.757	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)CNC(=O)c2ccc(O)cc2)CC1	ZINC000727483868	1076140681	/nfs/dbraw/zinc/14/06/81/1076140681.db2.gz	SKJOYJCHPGVZJB-UHFFFAOYSA-N	1	1	420.510	1.181	20	0		HDADMO
CO[C@H](CNC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)C(F)(F)F	ZINC000733663075	1076144137	/nfs/dbraw/zinc/14/41/37/1076144137.db2.gz	SMJMNLBHHLPHCL-MRXNPFEDSA-N	1	1	404.433	1.893	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@@H]3C3CCC3)C2=O)c1	ZINC000733794488	1076204799	/nfs/dbraw/zinc/20/47/99/1076204799.db2.gz	KURNLALLVAYNRF-DYESRHJHSA-N	1	1	400.479	1.758	20	0		HDADMO
C[C@H](CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)[N@@H+](C)C1CC1	ZINC000727741649	1076216463	/nfs/dbraw/zinc/21/64/63/1076216463.db2.gz	FFUXFQVSIYBORD-LLVKDONJSA-N	1	1	418.357	1.912	20	0		HDADMO
CCOC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1	ZINC000733797180	1076216467	/nfs/dbraw/zinc/21/64/67/1076216467.db2.gz	RXDVJGWYTFROCN-HRAATJIYSA-N	1	1	402.495	1.623	20	0		HDADMO
CCOC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1	ZINC000733797180	1076216468	/nfs/dbraw/zinc/21/64/68/1076216468.db2.gz	RXDVJGWYTFROCN-HRAATJIYSA-N	1	1	402.495	1.623	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1	ZINC000727753663	1076226988	/nfs/dbraw/zinc/22/69/88/1076226988.db2.gz	NMWAMCDJANVUJR-VQTJNVASSA-N	1	1	416.522	1.657	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)no1	ZINC000532805064	1076239315	/nfs/dbraw/zinc/23/93/15/1076239315.db2.gz	ZHHBWLYDKRUJOE-QZTJIDSGSA-N	1	1	403.527	1.988	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)C2)no1	ZINC000532835153	1076239890	/nfs/dbraw/zinc/23/98/90/1076239890.db2.gz	JQKYEPCVYWAHEP-MSOLQXFVSA-N	1	1	420.558	1.885	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)C2)no1	ZINC000533613428	1076244365	/nfs/dbraw/zinc/24/43/65/1076244365.db2.gz	XBIZBBKWMVKPHV-YOEHRIQHSA-N	1	1	417.514	1.606	20	0		HDADMO
Cc1nn(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1S(=O)(=O)N1CCCCC1	ZINC000535881052	1076253347	/nfs/dbraw/zinc/25/33/47/1076253347.db2.gz	RZMHQYDSPWWEJU-IIDMSEBBSA-N	1	1	414.572	1.145	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1	ZINC000536028090	1076253912	/nfs/dbraw/zinc/25/39/12/1076253912.db2.gz	RIOCLZVJHNYFIR-XMSQKQJNSA-N	1	1	407.474	1.727	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1	ZINC000536028090	1076253914	/nfs/dbraw/zinc/25/39/14/1076253914.db2.gz	RIOCLZVJHNYFIR-XMSQKQJNSA-N	1	1	407.474	1.727	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536047494	1076254877	/nfs/dbraw/zinc/25/48/77/1076254877.db2.gz	JAESDXDWXCNZFB-DYESRHJHSA-N	1	1	413.566	1.948	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536047494	1076254882	/nfs/dbraw/zinc/25/48/82/1076254882.db2.gz	JAESDXDWXCNZFB-DYESRHJHSA-N	1	1	413.566	1.948	20	0		HDADMO
CN1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1	ZINC000536071313	1076255163	/nfs/dbraw/zinc/25/51/63/1076255163.db2.gz	RJVGYWZQSFLXHT-IBGZPJMESA-N	1	1	409.490	1.428	20	0		HDADMO
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536048288	1076255330	/nfs/dbraw/zinc/25/53/30/1076255330.db2.gz	RQTHOXNUTXVNSL-XLIONFOSSA-N	1	1	417.554	1.042	20	0		HDADMO
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536048288	1076255333	/nfs/dbraw/zinc/25/53/33/1076255333.db2.gz	RQTHOXNUTXVNSL-XLIONFOSSA-N	1	1	417.554	1.042	20	0		HDADMO
COCCN(CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C	ZINC000733957248	1076274998	/nfs/dbraw/zinc/27/49/98/1076274998.db2.gz	BLOMNCJBRMKROC-SFHVURJKSA-N	1	1	412.575	1.497	20	0		HDADMO
COCCN(CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C	ZINC000733957248	1076275004	/nfs/dbraw/zinc/27/50/04/1076275004.db2.gz	BLOMNCJBRMKROC-SFHVURJKSA-N	1	1	412.575	1.497	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)n1C	ZINC000733970003	1076287588	/nfs/dbraw/zinc/28/75/88/1076287588.db2.gz	FMOUCYDNULMTCP-UNOMPAQXSA-N	1	1	404.474	1.968	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(CC(F)(F)C(F)F)CC1	ZINC000734002985	1076288981	/nfs/dbraw/zinc/28/89/81/1076288981.db2.gz	UDIKTLPXYYPCKL-UKTHLTGXSA-N	1	1	413.437	1.484	20	0		HDADMO
Cc1ccn2ncc(C(=O)O[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2n1	ZINC000734030808	1076293777	/nfs/dbraw/zinc/29/37/77/1076293777.db2.gz	HAYYXJOOCDMDOA-WMZOPIPTSA-N	1	1	407.474	1.974	20	0		HDADMO
Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000727950904	1076295382	/nfs/dbraw/zinc/29/53/82/1076295382.db2.gz	MJBWCWVLXALANS-CYBMUJFWSA-N	1	1	418.929	1.950	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]21	ZINC001083149064	1076308314	/nfs/dbraw/zinc/30/83/14/1076308314.db2.gz	WUEKBQQXPOWQBK-ZHHZFAINSA-N	1	1	420.513	1.707	20	0		HDADMO
CCCOC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000728060059	1076314354	/nfs/dbraw/zinc/31/43/54/1076314354.db2.gz	NPPBHYDGCVEXSA-INIZCTEOSA-N	1	1	411.524	1.119	20	0		HDADMO
Cn1nc(Br)c2c1ncn(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c2=O	ZINC000728065525	1076315108	/nfs/dbraw/zinc/31/51/08/1076315108.db2.gz	KTEFOVXDIZXTTO-ZDUSSCGKSA-N	1	1	406.284	1.385	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)cn1	ZINC000728068187	1076316196	/nfs/dbraw/zinc/31/61/96/1076316196.db2.gz	FCIOWNLYKXKMJN-UHFFFAOYSA-N	1	1	405.524	1.690	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)NC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000728052664	1076319995	/nfs/dbraw/zinc/31/99/95/1076319995.db2.gz	ATGCYOFEDRZTGS-CQSZACIVSA-N	1	1	405.451	1.581	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000728052666	1076320060	/nfs/dbraw/zinc/32/00/60/1076320060.db2.gz	ATISQBDHSPFSQH-KRWDZBQOSA-N	1	1	402.495	1.448	20	0		HDADMO
Cc1cc(C)c(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)c(C)c1	ZINC000728078472	1076334407	/nfs/dbraw/zinc/33/44/07/1076334407.db2.gz	ZZGWBSULEDQKNJ-OALUTQOASA-N	1	1	414.550	1.668	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc12	ZINC000728077391	1076334440	/nfs/dbraw/zinc/33/44/40/1076334440.db2.gz	ILFXHVNODBQYTK-HNNXBMFYSA-N	1	1	401.463	1.184	20	0		HDADMO
CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)OC(C)(C)C	ZINC000804255689	1076344865	/nfs/dbraw/zinc/34/48/65/1076344865.db2.gz	FYNFGENAIILLPX-ZWKOTPCHSA-N	1	1	418.538	1.921	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)CC1	ZINC000728159652	1076350165	/nfs/dbraw/zinc/35/01/65/1076350165.db2.gz	PAGZMLBUWKWZJL-UZUQRXQVSA-N	1	1	421.501	1.754	20	0		HDADMO
COc1ccc(C(=O)NCC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1OC	ZINC000028791024	1076362048	/nfs/dbraw/zinc/36/20/48/1076362048.db2.gz	FICQPPOVQGFYLN-UHFFFAOYSA-N	1	1	411.502	1.821	20	0		HDADMO
CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@@H]3C2)n1	ZINC001084530329	1076367930	/nfs/dbraw/zinc/36/79/30/1076367930.db2.gz	XWGNPFFVYPEFKT-DIKXUDHVSA-N	1	1	402.543	1.318	20	0		HDADMO
CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@@H]3C2)n1	ZINC001084530329	1076367939	/nfs/dbraw/zinc/36/79/39/1076367939.db2.gz	XWGNPFFVYPEFKT-DIKXUDHVSA-N	1	1	402.543	1.318	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)C1	ZINC000729980167	1076405136	/nfs/dbraw/zinc/40/51/36/1076405136.db2.gz	MLYXATAJMIDZKU-NFBGKYEXSA-N	1	1	400.483	1.215	20	0		HDADMO
CN(C(=O)/C=C\Sc1ccccc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729981210	1076406040	/nfs/dbraw/zinc/40/60/40/1076406040.db2.gz	ZHLCKSJKSYJRMO-YVLHZVERSA-N	1	1	416.591	1.989	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)C1	ZINC000730036031	1076414006	/nfs/dbraw/zinc/41/40/06/1076414006.db2.gz	HLAFTHIFBWZXEL-HNNXBMFYSA-N	1	1	405.524	1.469	20	0		HDADMO
CON(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1Cl	ZINC000730084224	1076432299	/nfs/dbraw/zinc/43/22/99/1076432299.db2.gz	GSNYSAXPWBCSEF-UHFFFAOYSA-N	1	1	419.931	1.051	20	0		HDADMO
C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1	ZINC000730265076	1076505783	/nfs/dbraw/zinc/50/57/83/1076505783.db2.gz	PXCYYHJGELVVIS-LLVKDONJSA-N	1	1	410.437	2.000	20	0		HDADMO
CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1	ZINC000730311776	1076526513	/nfs/dbraw/zinc/52/65/13/1076526513.db2.gz	NLTYEKBJOCXGLY-SFHVURJKSA-N	1	1	419.547	1.494	20	0		HDADMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C[C@H](C)O1	ZINC000730384934	1076552238	/nfs/dbraw/zinc/55/22/38/1076552238.db2.gz	IOPPESFGFNZTRA-GJZGRUSLSA-N	1	1	417.485	1.954	20	0		HDADMO
CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000730378321	1076552343	/nfs/dbraw/zinc/55/23/43/1076552343.db2.gz	NFYJOTSXBMMJCM-INIZCTEOSA-N	1	1	412.575	1.985	20	0		HDADMO
CN(C(=O)OC(C)(C)C)C1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1	ZINC000730573004	1076607039	/nfs/dbraw/zinc/60/70/39/1076607039.db2.gz	UODICWKPGUVSCT-UHFFFAOYSA-N	1	1	418.542	1.457	20	0		HDADMO
Cc1noc(C)c1CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000730684106	1076639980	/nfs/dbraw/zinc/63/99/80/1076639980.db2.gz	QDIQOBILVPBDKN-UHFFFAOYSA-N	1	1	419.913	1.994	20	0		HDADMO
COC(=O)NCCCC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000730747033	1076646214	/nfs/dbraw/zinc/64/62/14/1076646214.db2.gz	ZISWZIMSEHVXRN-UHFFFAOYSA-N	1	1	410.446	1.561	20	0		HDADMO
Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2=O)c1	ZINC000730774137	1076650354	/nfs/dbraw/zinc/65/03/54/1076650354.db2.gz	VBAGBIMTXILYSV-RCCFBDPRSA-N	1	1	400.479	1.179	20	0		HDADMO
CN(C[C@@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000730803541	1076655081	/nfs/dbraw/zinc/65/50/81/1076655081.db2.gz	JZHKACOUPXXKNM-UGKGYDQZSA-N	1	1	400.523	1.889	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1	ZINC000730841937	1076671162	/nfs/dbraw/zinc/67/11/62/1076671162.db2.gz	SBFQZIXIRPLYRP-XXBNENTESA-N	1	1	424.501	1.444	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1	ZINC000730940099	1076699071	/nfs/dbraw/zinc/69/90/71/1076699071.db2.gz	VRVMXKQRACJNOK-KRWDZBQOSA-N	1	1	406.483	1.912	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1	ZINC000731007013	1076709210	/nfs/dbraw/zinc/70/92/10/1076709210.db2.gz	DXXDYDINOCKILO-HNNXBMFYSA-N	1	1	401.504	1.353	20	0		HDADMO
COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000731008403	1076710006	/nfs/dbraw/zinc/71/00/06/1076710006.db2.gz	GSXOPHQAXNLYHT-MOPGFXCFSA-N	1	1	418.538	1.771	20	0		HDADMO
CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cn1	ZINC000731134217	1076737209	/nfs/dbraw/zinc/73/72/09/1076737209.db2.gz	KRAUSQWEBLVINP-HNNXBMFYSA-N	1	1	403.483	1.968	20	0		HDADMO
CCCC[C@@H]1NC(=O)N(CN2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O	ZINC000731209856	1076755853	/nfs/dbraw/zinc/75/58/53/1076755853.db2.gz	ZVUQAEVTDWGHCG-SFHVURJKSA-N	1	1	407.559	1.321	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2	ZINC001164649801	719311263	/nfs/dbraw/zinc/31/12/63/719311263.db2.gz	SOFCCCGYZVRCLP-QGZVFWFLSA-N	1	1	424.553	1.824	20	0		HDADMO
CS(=O)(=O)N(Cc1noc2c1CNCC2)c1cccc(OCC[NH+]2CCCC2)n1	ZINC001164652588	719327024	/nfs/dbraw/zinc/32/70/24/719327024.db2.gz	CJXCDILTQVHOMR-UHFFFAOYSA-N	1	1	421.523	1.156	20	0		HDADMO
COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1	ZINC001164666478	719417580	/nfs/dbraw/zinc/41/75/80/719417580.db2.gz	CYGRKBFTZPGWSJ-LVKZSUFYSA-N	1	1	402.495	1.772	20	0		HDADMO
C[N@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@@H]21	ZINC001164674838	719441577	/nfs/dbraw/zinc/44/15/77/719441577.db2.gz	XQDRAFPXXLFDFA-HOTGVXAUSA-N	1	1	415.563	1.531	20	0		HDADMO
Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C	ZINC000301638447	719442156	/nfs/dbraw/zinc/44/21/56/719442156.db2.gz	FRMNTTAOUPDAIF-HOTGVXAUSA-N	1	1	403.552	1.660	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2	ZINC001164689532	719748966	/nfs/dbraw/zinc/74/89/66/719748966.db2.gz	GOHZRKJSEMCJCS-UHFFFAOYSA-N	1	1	421.567	1.047	20	0		HDADMO
COc1ccc2c[nH+]c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)cc2c1	ZINC001164708386	719917444	/nfs/dbraw/zinc/91/74/44/719917444.db2.gz	BWPYJJVFZSBODE-UHFFFAOYSA-N	1	1	420.517	1.927	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1)C1CC1	ZINC001164703620	719922664	/nfs/dbraw/zinc/92/26/64/719922664.db2.gz	LCJHFDXKKPOFQP-MISYRCLQSA-N	1	1	400.523	1.929	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)C2	ZINC001164811302	720080593	/nfs/dbraw/zinc/08/05/93/720080593.db2.gz	NVMHJYWOMAJOGU-AOMKIAJQSA-N	1	1	417.506	1.840	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)C2	ZINC001164819778	720158130	/nfs/dbraw/zinc/15/81/30/720158130.db2.gz	YBXKESYFSSRVRJ-VGOFRKELSA-N	1	1	413.522	1.940	20	0		HDADMO
CCc1c(Cl)nnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1CC	ZINC001164720501	720253624	/nfs/dbraw/zinc/25/36/24/720253624.db2.gz	XOPQYINWSSZZFD-FQEVSTJZSA-N	1	1	409.962	1.920	20	0		HDADMO
CCc1c(Cl)nnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1CC	ZINC001164720501	720253633	/nfs/dbraw/zinc/25/36/33/720253633.db2.gz	XOPQYINWSSZZFD-FQEVSTJZSA-N	1	1	409.962	1.920	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3-c3nc(C)no3)C2)C1	ZINC001164720537	720286638	/nfs/dbraw/zinc/28/66/38/720286638.db2.gz	ANZQDFWCRYPWAU-FQEVSTJZSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3-c3nc(C)no3)C2)C1	ZINC001164720537	720286653	/nfs/dbraw/zinc/28/66/53/720286653.db2.gz	ANZQDFWCRYPWAU-FQEVSTJZSA-N	1	1	400.483	1.105	20	0		HDADMO
c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(N3CCOCC3)nc3c2CCN3)c1	ZINC001164721343	720361152	/nfs/dbraw/zinc/36/11/52/720361152.db2.gz	BTHIJHWJLSNXRT-OALUTQOASA-N	1	1	407.522	1.529	20	0		HDADMO
CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164732855	720430266	/nfs/dbraw/zinc/43/02/66/720430266.db2.gz	ORGCRZYOQXVKEW-KRQILSMLSA-N	1	1	415.519	1.639	20	0		HDADMO
CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732855	720430270	/nfs/dbraw/zinc/43/02/70/720430270.db2.gz	ORGCRZYOQXVKEW-KRQILSMLSA-N	1	1	415.519	1.639	20	0		HDADMO
Cn1ccc2c1nc[nH+]c2N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1	ZINC001164823490	720438168	/nfs/dbraw/zinc/43/81/68/720438168.db2.gz	KOGGLXCZSPABHK-INIZCTEOSA-N	1	1	411.510	1.154	20	0		HDADMO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CCN(C)CC4)nn3)CC[C@@H]21	ZINC001164840669	720512206	/nfs/dbraw/zinc/51/22/06/720512206.db2.gz	XFLPOIGKUJIUBX-ACRUOGEOSA-N	1	1	424.597	1.803	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CCN(C)CC4)nn3)CC[C@@H]21	ZINC001164840669	720512208	/nfs/dbraw/zinc/51/22/08/720512208.db2.gz	XFLPOIGKUJIUBX-ACRUOGEOSA-N	1	1	424.597	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164833737	720521150	/nfs/dbraw/zinc/52/11/50/720521150.db2.gz	DPWPHRHBGPEDCN-OFQRWUPVSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)(C)OC(=O)Nc1nccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164738094	720665798	/nfs/dbraw/zinc/66/57/98/720665798.db2.gz	IJLMVOAOJRUZSP-GJZGRUSLSA-N	1	1	413.482	1.956	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164740136	720681223	/nfs/dbraw/zinc/68/12/23/720681223.db2.gz	QGZRKTGQSDYARI-ZIAGYGMSSA-N	1	1	418.885	1.368	20	0		HDADMO
CCOC(=O)c1nnc(Cl)cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739595	720682992	/nfs/dbraw/zinc/68/29/92/720682992.db2.gz	OBRHRAHQWCMFEM-QWHCGFSZSA-N	1	1	404.858	1.439	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(S(N)(=O)=O)cn1)CC2	ZINC001164840544	720683524	/nfs/dbraw/zinc/68/35/24/720683524.db2.gz	GGQPTSNCTSCVQG-GOSISDBHSA-N	1	1	416.547	1.989	20	0		HDADMO
COc1cc2ncc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC	ZINC001164736960	720687304	/nfs/dbraw/zinc/68/73/04/720687304.db2.gz	COMOHMKEFGERSJ-CABCVRRESA-N	1	1	408.462	1.779	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164736666	720698267	/nfs/dbraw/zinc/69/82/67/720698267.db2.gz	AHNHTPDVGVVWDA-IRXDYDNUSA-N	1	1	420.473	1.938	20	0		HDADMO
CON(C)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164737598	720706655	/nfs/dbraw/zinc/70/66/55/720706655.db2.gz	GNDVMCGPMIGJMX-CABCVRRESA-N	1	1	418.885	1.500	20	0		HDADMO
CCc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164746937	720731217	/nfs/dbraw/zinc/73/12/17/720731217.db2.gz	ZBVJRKZNRDLTLB-MSOLQXFVSA-N	1	1	411.510	1.008	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739029	720747525	/nfs/dbraw/zinc/74/75/25/720747525.db2.gz	HRZOOKHZVAHRLW-VXGBXAGGSA-N	1	1	424.839	1.511	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739029	720747534	/nfs/dbraw/zinc/74/75/34/720747534.db2.gz	HRZOOKHZVAHRLW-VXGBXAGGSA-N	1	1	424.839	1.511	20	0		HDADMO
CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2C1	ZINC001164743515	720801381	/nfs/dbraw/zinc/80/13/81/720801381.db2.gz	GHQQVXGXSVAFFO-KBPBESRZSA-N	1	1	401.902	1.250	20	0		HDADMO
NC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl	ZINC001164749241	720814537	/nfs/dbraw/zinc/81/45/37/720814537.db2.gz	SNFLGWKUFDNUFH-YQQAZPJKSA-N	1	1	415.929	1.805	20	0		HDADMO
CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164737966	720816683	/nfs/dbraw/zinc/81/66/83/720816683.db2.gz	CSJWKWVCCZFIKU-JENIJYKNSA-N	1	1	411.510	1.624	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)c1	ZINC001164739225	720824129	/nfs/dbraw/zinc/82/41/29/720824129.db2.gz	HUYYWKMVXWTHDB-ZIFCJYIRSA-N	1	1	414.485	1.978	20	0		HDADMO
O=C1COc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2N1	ZINC001164737720	720830690	/nfs/dbraw/zinc/83/06/90/720830690.db2.gz	CGTJOVAJENAXNO-IXDOHACOSA-N	1	1	409.494	1.383	20	0		HDADMO
c1ncn(C[C@H]2C[C@@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164743132	720837014	/nfs/dbraw/zinc/83/70/14/720837014.db2.gz	IWFQHSDTOFVLMD-VAMGGRTRSA-N	1	1	424.553	1.284	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc4c(cccc4C(=O)OC)n3)CC[C@@H]2C1	ZINC001164850127	720846125	/nfs/dbraw/zinc/84/61/25/720846125.db2.gz	DKZMZUPAHWIXFP-DNVCBOLYSA-N	1	1	400.479	1.590	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164850287	720850777	/nfs/dbraw/zinc/85/07/77/720850777.db2.gz	FDLKURJEOIZWLO-GJZGRUSLSA-N	1	1	412.918	1.409	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)cc1OCC	ZINC001164856902	720853492	/nfs/dbraw/zinc/85/34/92/720853492.db2.gz	PWOGHEBDNSQGFT-APWZRJJASA-N	1	1	407.511	1.831	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1	ZINC001164851602	720854253	/nfs/dbraw/zinc/85/42/53/720854253.db2.gz	BFHZSGKIPWMSEV-MJGOQNOKSA-N	1	1	414.506	1.980	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC[C@H]2C1	ZINC001164855500	720862186	/nfs/dbraw/zinc/86/21/86/720862186.db2.gz	NBJVCRRKBBBVJE-RBUKOAKNSA-N	1	1	412.538	1.778	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C\C(=O)OC)cc4cc[nH]c43)CC[C@@H]2C1	ZINC001164852036	720868561	/nfs/dbraw/zinc/86/85/61/720868561.db2.gz	BUUKDWWOAYDXDO-VOSNQSNISA-N	1	1	414.506	1.923	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3OC)CC[C@H]2C1	ZINC001164852318	720870463	/nfs/dbraw/zinc/87/04/63/720870463.db2.gz	CHFBPGLPDUNHIO-GXTWGEPZSA-N	1	1	406.861	1.857	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)[nH]cc1-2	ZINC001164854889	720871872	/nfs/dbraw/zinc/87/18/72/720871872.db2.gz	GGBAHTHHCHWQIA-DNVCBOLYSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)[nH]cc1-2	ZINC001164854889	720871873	/nfs/dbraw/zinc/87/18/73/720871873.db2.gz	GGBAHTHHCHWQIA-DNVCBOLYSA-N	1	1	402.495	1.913	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(N3CCOCC3)n1)[C@@H]2C	ZINC001164856139	720938178	/nfs/dbraw/zinc/93/81/78/720938178.db2.gz	AZHQNGNVLDLZMD-CQSZACIVSA-N	1	1	420.949	1.980	20	0		HDADMO
Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CNCC2	ZINC001164869558	721045047	/nfs/dbraw/zinc/04/50/47/721045047.db2.gz	UHSLBNFXGUUNRA-HZPDHXFCSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CNCC2	ZINC001164869558	721045051	/nfs/dbraw/zinc/04/50/51/721045051.db2.gz	UHSLBNFXGUUNRA-HZPDHXFCSA-N	1	1	400.914	1.650	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164871417	721047654	/nfs/dbraw/zinc/04/76/54/721047654.db2.gz	YQOMOAZKHASDKU-CABCVRRESA-N	1	1	403.870	1.791	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164771036	721076132	/nfs/dbraw/zinc/07/61/32/721076132.db2.gz	RDDMSPXVLRWRDK-CABCVRRESA-N	1	1	404.902	1.999	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865197	721080901	/nfs/dbraw/zinc/08/09/01/721080901.db2.gz	JLYWLEJLQJPPNJ-DLBZAZTESA-N	1	1	413.478	1.537	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164864867	721092752	/nfs/dbraw/zinc/09/27/52/721092752.db2.gz	GZNXXSPOMRTZFS-CABCVRRESA-N	1	1	403.870	1.791	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865162	721097409	/nfs/dbraw/zinc/09/74/09/721097409.db2.gz	JEERVSBSWHDJBO-MOPGFXCFSA-N	1	1	408.506	1.952	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164880669	721166583	/nfs/dbraw/zinc/16/65/83/721166583.db2.gz	WVFLZYDNJFVJMG-LSDHHAIUSA-N	1	1	403.870	1.791	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164866506	721195546	/nfs/dbraw/zinc/19/55/46/721195546.db2.gz	BPXQYIZBSLOGMI-ZWKOTPCHSA-N	1	1	402.520	1.750	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164866506	721195555	/nfs/dbraw/zinc/19/55/55/721195555.db2.gz	BPXQYIZBSLOGMI-ZWKOTPCHSA-N	1	1	402.520	1.750	20	0		HDADMO
COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(C)c1	ZINC001164869886	721268135	/nfs/dbraw/zinc/26/81/35/721268135.db2.gz	SEARVIZHNKJBDV-UHFFFAOYSA-N	1	1	404.511	1.184	20	0		HDADMO
CC(C)n1cnc2cnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc21	ZINC001164873385	721285472	/nfs/dbraw/zinc/28/54/72/721285472.db2.gz	LRYPVYBMKPQOEP-UHFFFAOYSA-N	1	1	415.542	1.414	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)n2)CC1	ZINC001164881922	721314647	/nfs/dbraw/zinc/31/46/47/721314647.db2.gz	YABYYLRIMHRPEJ-IPMKNSEASA-N	1	1	410.522	1.686	20	0		HDADMO
CN(C)c1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164889958	721381021	/nfs/dbraw/zinc/38/10/21/721381021.db2.gz	NBBASZFOHYBDKZ-OXQOHEQNSA-N	1	1	408.978	1.961	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(N)=O)c(Cl)cn4)C3)O2)CC1	ZINC001164894105	721387109	/nfs/dbraw/zinc/38/71/09/721387109.db2.gz	XRAPXNBRXDLQKM-YWZLYKJASA-N	1	1	407.946	1.599	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164892127	721399268	/nfs/dbraw/zinc/39/92/68/721399268.db2.gz	RSNLYHUVECLFLY-HTAPYJJXSA-N	1	1	418.538	1.642	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1	ZINC001164791503	721401837	/nfs/dbraw/zinc/40/18/37/721401837.db2.gz	YVHDPDCRIFIBIP-VXGBXAGGSA-N	1	1	406.537	1.795	20	0		HDADMO
CCOC(=O)c1c(C)ncnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164883867	721413548	/nfs/dbraw/zinc/41/35/48/721413548.db2.gz	CDGUVWOBVUMXSP-AVRDEDQJSA-N	1	1	417.554	1.727	20	0		HDADMO
C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21	ZINC001164886597	721418247	/nfs/dbraw/zinc/41/82/47/721418247.db2.gz	KHDRKJCXGXSYAB-GCKMJXCFSA-N	1	1	400.527	1.298	20	0		HDADMO
O=S(=O)(c1cccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1)N1CCCC1	ZINC001164783656	721419041	/nfs/dbraw/zinc/41/90/41/721419041.db2.gz	JFMCMFOIMWDTCL-HOTGVXAUSA-N	1	1	419.576	1.891	20	0		HDADMO
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1	ZINC001164895417	721424951	/nfs/dbraw/zinc/42/49/51/721424951.db2.gz	OUTJPEAWYMMTPY-NZQKXSOJSA-N	1	1	414.598	1.709	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164789014	721425946	/nfs/dbraw/zinc/42/59/46/721425946.db2.gz	VLBCXQQXRFYSSX-GASCZTMLSA-N	1	1	407.565	1.793	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164789014	721425949	/nfs/dbraw/zinc/42/59/49/721425949.db2.gz	VLBCXQQXRFYSSX-GASCZTMLSA-N	1	1	407.565	1.793	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164894930	721445130	/nfs/dbraw/zinc/44/51/30/721445130.db2.gz	NLBBTSLLITZPDP-RXVVDRJESA-N	1	1	412.542	1.131	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(C(=O)OC)cn1)CC2	ZINC001164786893	721450079	/nfs/dbraw/zinc/45/00/79/721450079.db2.gz	OMMDRAGRQSLYMJ-SFHVURJKSA-N	1	1	418.538	1.997	20	0		HDADMO
CCOC(=O)Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164885396	721451633	/nfs/dbraw/zinc/45/16/33/721451633.db2.gz	DNKUBAVJEOOXTO-OFNKIYASSA-N	1	1	416.566	1.953	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1OC	ZINC001164890335	721452665	/nfs/dbraw/zinc/45/26/65/721452665.db2.gz	QXTSDGFVBVRGFL-HRAATJIYSA-N	1	1	419.526	1.037	20	0		HDADMO
CN1CCN(c2cccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)n2)CC1	ZINC001164790540	721484260	/nfs/dbraw/zinc/48/42/60/721484260.db2.gz	FSMFVRSWXZLILR-OTWHNJEPSA-N	1	1	409.538	1.386	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1	ZINC001164908686	721553208	/nfs/dbraw/zinc/55/32/08/721553208.db2.gz	RQZZAQQPWVQXCC-FUHWJXTLSA-N	1	1	420.510	1.861	20	0		HDADMO
CN1CCN(c2nccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1	ZINC001164905407	721561053	/nfs/dbraw/zinc/56/10/53/721561053.db2.gz	HGBFHVQMZIEMAK-QUCCMNQESA-N	1	1	412.513	1.709	20	0		HDADMO
COCCN1C[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1=O	ZINC001164902876	721573569	/nfs/dbraw/zinc/57/35/69/721573569.db2.gz	MYOLAKWLYAIINE-UYAOXDASSA-N	1	1	407.518	1.576	20	0		HDADMO
COCCN1C[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1=O	ZINC001164902876	721573575	/nfs/dbraw/zinc/57/35/75/721573575.db2.gz	MYOLAKWLYAIINE-UYAOXDASSA-N	1	1	407.518	1.576	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1	ZINC001164806187	721576646	/nfs/dbraw/zinc/57/66/46/721576646.db2.gz	PGFGBCFAFBXMHJ-HBFSDRIKSA-N	1	1	417.535	1.253	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1	ZINC001164806187	721576648	/nfs/dbraw/zinc/57/66/48/721576648.db2.gz	PGFGBCFAFBXMHJ-HBFSDRIKSA-N	1	1	417.535	1.253	20	0		HDADMO
NS(=O)(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1	ZINC001164913416	721730723	/nfs/dbraw/zinc/73/07/23/721730723.db2.gz	VJAHIWFXHDYENF-SFHVURJKSA-N	1	1	423.489	1.862	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2	ZINC001165011115	721733866	/nfs/dbraw/zinc/73/38/66/721733866.db2.gz	LYJLFMLDTWYTJW-UHFFFAOYSA-N	1	1	422.555	1.293	20	0		HDADMO
Cn1cc(C(=O)N[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)[C@@H]3CCCO[C@H]32)cn1	ZINC001165013410	721757839	/nfs/dbraw/zinc/75/78/39/721757839.db2.gz	LNGGBBDVLQXKND-ZVDOUQERSA-N	1	1	410.522	1.576	20	0		HDADMO
Cc1noc(-c2cccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1	ZINC001164914188	721794423	/nfs/dbraw/zinc/79/44/23/721794423.db2.gz	KOOZUJKDWJDWEV-QFIPXVFZSA-N	1	1	422.489	1.943	20	0		HDADMO
Cc1noc(-c2cccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1	ZINC001164914188	721794425	/nfs/dbraw/zinc/79/44/25/721794425.db2.gz	KOOZUJKDWJDWEV-QFIPXVFZSA-N	1	1	422.489	1.943	20	0		HDADMO
c1nc2c(ncnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1C1CC1	ZINC001164913983	721795353	/nfs/dbraw/zinc/79/53/53/721795353.db2.gz	JMMJEIWDSYZQBA-QFIPXVFZSA-N	1	1	421.505	1.664	20	0		HDADMO
c1nc2c(ncnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1C1CC1	ZINC001164913983	721795357	/nfs/dbraw/zinc/79/53/57/721795357.db2.gz	JMMJEIWDSYZQBA-QFIPXVFZSA-N	1	1	421.505	1.664	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(N)(=O)=O)C[C@@H]21	ZINC001165027239	721803312	/nfs/dbraw/zinc/80/33/12/721803312.db2.gz	USJIHMCWEFBNTL-RYQLBKOJSA-N	1	1	401.536	1.861	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cn3)C[C@@H]21	ZINC001165028881	721809160	/nfs/dbraw/zinc/80/91/60/721809160.db2.gz	XXFFKNIRRKXXJQ-AYOQOUSVSA-N	1	1	401.536	1.861	20	0		HDADMO
Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]21	ZINC001164942675	721950747	/nfs/dbraw/zinc/95/07/47/721950747.db2.gz	LSUURCDGESPMRK-ROUUACIJSA-N	1	1	400.483	1.008	20	0		HDADMO
Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1C1C[NH2+]C1	ZINC001164963926	722062605	/nfs/dbraw/zinc/06/26/05/722062605.db2.gz	DJUNQQJARFJXEA-UHFFFAOYSA-N	1	1	408.550	1.986	20	0		HDADMO
c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@H]3C2)c1	ZINC001164982800	722102851	/nfs/dbraw/zinc/10/28/51/722102851.db2.gz	PDBYXZDMJJFLCC-PMACEKPBSA-N	1	1	410.522	1.436	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1OC	ZINC001164978197	722103858	/nfs/dbraw/zinc/10/38/58/722103858.db2.gz	GDNZEGXEKQASLC-FXAWDEMLSA-N	1	1	412.490	1.999	20	0		HDADMO
c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3C2)c1	ZINC001164981042	722128806	/nfs/dbraw/zinc/12/88/06/722128806.db2.gz	SEQDDBITKPTWGQ-VQTJNVASSA-N	1	1	410.522	1.436	20	0		HDADMO
c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@@H]3C2)c1	ZINC001164981044	722129211	/nfs/dbraw/zinc/12/92/11/722129211.db2.gz	SEQDDBITKPTWGQ-WOJBJXKFSA-N	1	1	410.522	1.436	20	0		HDADMO
CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21	ZINC001164979674	722136922	/nfs/dbraw/zinc/13/69/22/722136922.db2.gz	LSOLBWBAHKUSFN-IAGOWNOFSA-N	1	1	408.506	1.829	20	0		HDADMO
O=c1ccccn1-c1nccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164984171	722145686	/nfs/dbraw/zinc/14/56/86/722145686.db2.gz	VZGLUORVFBXXCA-PMACEKPBSA-N	1	1	418.501	1.750	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164979730	722152028	/nfs/dbraw/zinc/15/20/28/722152028.db2.gz	LVDILHCNFYSZSY-RBUKOAKNSA-N	1	1	406.494	1.488	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164979729	722152085	/nfs/dbraw/zinc/15/20/85/722152085.db2.gz	LVDILHCNFYSZSY-OALUTQOASA-N	1	1	406.494	1.488	20	0		HDADMO
COC(=O)c1cnc(Cl)cc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997599	722229196	/nfs/dbraw/zinc/22/91/96/722229196.db2.gz	QJCKKVYGIQARPK-UHFFFAOYSA-N	1	1	416.913	1.669	20	0		HDADMO
COC(=O)c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1OC	ZINC001164997033	722230151	/nfs/dbraw/zinc/23/01/51/722230151.db2.gz	MGNWZHKYAGVPMF-UHFFFAOYSA-N	1	1	412.494	1.024	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(NC(=O)C(C)(C)C)nn2)CC3)CC1	ZINC001164997751	722233117	/nfs/dbraw/zinc/23/31/17/722233117.db2.gz	VGJFETMDZANIAD-UHFFFAOYSA-N	1	1	424.553	1.608	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nccc(N4CCCCC4)n2)CC3)CC1	ZINC001164996712	722235598	/nfs/dbraw/zinc/23/55/98/722235598.db2.gz	IFDXOOIMBPEHOM-UHFFFAOYSA-N	1	1	408.554	1.614	20	0		HDADMO
COc1cnc2c(c1)ncnc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001165002581	722236593	/nfs/dbraw/zinc/23/65/93/722236593.db2.gz	VTXRZBDOZYXALE-UHFFFAOYSA-N	1	1	406.494	1.180	20	0		HDADMO
C[C@@H]1CCCN(c2cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ncn2)C1	ZINC001165002776	722238690	/nfs/dbraw/zinc/23/86/90/722238690.db2.gz	YRLHVCZYZWSHRE-GOSISDBHSA-N	1	1	422.581	1.860	20	0		HDADMO
CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1S(=O)(=O)N(CC)CC	ZINC000509071385	1073457426	/nfs/dbraw/zinc/45/74/26/1073457426.db2.gz	PVEZJZZMSQGCGP-GOEBONIOSA-N	1	1	413.540	1.367	20	0		HDADMO
CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)cc1S(=O)(=O)N(CC)CC	ZINC000509071385	1073457438	/nfs/dbraw/zinc/45/74/38/1073457438.db2.gz	PVEZJZZMSQGCGP-GOEBONIOSA-N	1	1	413.540	1.367	20	0		HDADMO
CC[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O	ZINC000429050586	1073470799	/nfs/dbraw/zinc/47/07/99/1073470799.db2.gz	ZCPTUMIKGMJICK-JXFKEZNVSA-N	1	1	404.536	1.441	20	0		HDADMO
CC[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1=O	ZINC000429050586	1073470805	/nfs/dbraw/zinc/47/08/05/1073470805.db2.gz	ZCPTUMIKGMJICK-JXFKEZNVSA-N	1	1	404.536	1.441	20	0		HDADMO
CC[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O	ZINC000429050591	1073471661	/nfs/dbraw/zinc/47/16/61/1073471661.db2.gz	ZCPTUMIKGMJICK-UZLBHIALSA-N	1	1	404.536	1.441	20	0		HDADMO
CC[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1=O	ZINC000429050591	1073471667	/nfs/dbraw/zinc/47/16/67/1073471667.db2.gz	ZCPTUMIKGMJICK-UZLBHIALSA-N	1	1	404.536	1.441	20	0		HDADMO
COc1cccc(OCC[NH+]2CCN(Cc3nnnn3CC(F)(F)F)CC2)c1	ZINC000429053635	1073477686	/nfs/dbraw/zinc/47/76/86/1073477686.db2.gz	FARIVWYTJUJGAW-UHFFFAOYSA-N	1	1	400.405	1.441	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C3)CC[N@H+]1C	ZINC001004552579	1073481180	/nfs/dbraw/zinc/48/11/80/1073481180.db2.gz	NOPABTIRCJNSAE-ILOCAZANSA-N	1	1	400.523	1.996	20	0		HDADMO
COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000625097556	1073486943	/nfs/dbraw/zinc/48/69/43/1073486943.db2.gz	NKCGSBLLENOPIW-IBGZPJMESA-N	1	1	417.506	1.098	20	0		HDADMO
CCOC(=O)[C@H](C)CNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000429057480	1073489109	/nfs/dbraw/zinc/48/91/09/1073489109.db2.gz	ADYIUFXFWYCEDF-CQSZACIVSA-N	1	1	406.483	1.404	20	0		HDADMO
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000509101856	1073524539	/nfs/dbraw/zinc/52/45/39/1073524539.db2.gz	AYRCRQBUTRNWHI-UHFFFAOYSA-N	1	1	420.469	1.322	20	0		HDADMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000671406391	1073526300	/nfs/dbraw/zinc/52/63/00/1073526300.db2.gz	DVPNJVGKRMRLSQ-NTDBWNAOSA-N	1	1	406.571	1.376	20	0		HDADMO
CCn1c(=O)[nH]c2cc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)ccc2c1=O	ZINC000625182666	1073550290	/nfs/dbraw/zinc/55/02/90/1073550290.db2.gz	KMRRDCZYUPZTMX-INIZCTEOSA-N	1	1	400.479	1.449	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673659209	1073610476	/nfs/dbraw/zinc/61/04/76/1073610476.db2.gz	OOZZEUCUOVFWHS-GHTZIAJQSA-N	1	1	413.566	1.638	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673659209	1073610480	/nfs/dbraw/zinc/61/04/80/1073610480.db2.gz	OOZZEUCUOVFWHS-GHTZIAJQSA-N	1	1	413.566	1.638	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1F	ZINC000766018298	1073620231	/nfs/dbraw/zinc/62/02/31/1073620231.db2.gz	DLEFDINOSKGPHT-INIZCTEOSA-N	1	1	407.446	1.774	20	0		HDADMO
CN(c1ccc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1)S(C)(=O)=O	ZINC000673669381	1073622357	/nfs/dbraw/zinc/62/23/57/1073622357.db2.gz	JBGAPZOSGKNBTI-OAQYLSRUSA-N	1	1	417.531	1.336	20	0		HDADMO
NS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CC2	ZINC000673673112	1073628711	/nfs/dbraw/zinc/62/87/11/1073628711.db2.gz	QRNORIMGWKBDLJ-GOSISDBHSA-N	1	1	415.515	1.514	20	0		HDADMO
NS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2	ZINC000673673112	1073628718	/nfs/dbraw/zinc/62/87/18/1073628718.db2.gz	QRNORIMGWKBDLJ-GOSISDBHSA-N	1	1	415.515	1.514	20	0		HDADMO
CC(C)(NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673673192	1073628727	/nfs/dbraw/zinc/62/87/27/1073628727.db2.gz	RRNRBTHZKUKNTK-GOSISDBHSA-N	1	1	403.527	1.109	20	0		HDADMO
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1	ZINC000673707351	1073646355	/nfs/dbraw/zinc/64/63/55/1073646355.db2.gz	UUVNNYPIEIJUTG-VSKRKVRLSA-N	1	1	416.566	1.921	20	0		HDADMO
CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673707203	1073646942	/nfs/dbraw/zinc/64/69/42/1073646942.db2.gz	OUZHJVRQLPYTQR-ZDUSSCGKSA-N	1	1	421.489	1.710	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)COCc1ccccc1	ZINC000671422280	1073672485	/nfs/dbraw/zinc/67/24/85/1073672485.db2.gz	LFPUMIGPTLVLAE-PZJWPPBQSA-N	1	1	416.566	1.194	20	0		HDADMO
CCC[N@@H+](CC)CCNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1	ZINC000673760973	1073701260	/nfs/dbraw/zinc/70/12/60/1073701260.db2.gz	HUHROUABDPVGBN-UHFFFAOYSA-N	1	1	418.586	1.750	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000509136960	1073701731	/nfs/dbraw/zinc/70/17/31/1073701731.db2.gz	JUCHYWGOTNEHRE-BJZITVGISA-N	1	1	407.946	1.547	20	0		HDADMO
CCN(CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)S(C)(=O)=O	ZINC000673772253	1073704567	/nfs/dbraw/zinc/70/45/67/1073704567.db2.gz	UDCJYXISWXMWRG-SFHVURJKSA-N	1	1	410.584	1.964	20	0		HDADMO
CC(C)CN(C(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429129053	1073710737	/nfs/dbraw/zinc/71/07/37/1073710737.db2.gz	CXAFGBCTUZLYPW-GJZGRUSLSA-N	1	1	409.531	1.021	20	0		HDADMO
CC(C)CN(C(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429129053	1073710749	/nfs/dbraw/zinc/71/07/49/1073710749.db2.gz	CXAFGBCTUZLYPW-GJZGRUSLSA-N	1	1	409.531	1.021	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](CCCO)c2ccccc2)C[C@H](C)O1	ZINC000509144685	1073729357	/nfs/dbraw/zinc/72/93/57/1073729357.db2.gz	RNHAGIFZAIAAFW-IZZBFERCSA-N	1	1	417.550	1.717	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](CCCO)c2ccccc2)C[C@H](C)O1	ZINC000509144685	1073729362	/nfs/dbraw/zinc/72/93/62/1073729362.db2.gz	RNHAGIFZAIAAFW-IZZBFERCSA-N	1	1	417.550	1.717	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1	ZINC000429133030	1073736657	/nfs/dbraw/zinc/73/66/57/1073736657.db2.gz	GNXRFKVYOHQLRD-HNNXBMFYSA-N	1	1	414.597	1.541	20	0		HDADMO
C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)[N@@H+](C)Cc1ccccc1	ZINC000673789175	1073744179	/nfs/dbraw/zinc/74/41/79/1073744179.db2.gz	PMSAAFPUKFYEIB-INIZCTEOSA-N	1	1	408.502	1.938	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)C1	ZINC000673816388	1073760818	/nfs/dbraw/zinc/76/08/18/1073760818.db2.gz	CYPVJBWJCRRFRY-HKUYNNGSSA-N	1	1	408.506	1.781	20	0		HDADMO
COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(OC)c2)C1	ZINC000673821348	1073765436	/nfs/dbraw/zinc/76/54/36/1073765436.db2.gz	HVQQLNUWHDOXPN-LBPRGKRZSA-N	1	1	407.330	1.847	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(OC)c2)C1	ZINC000673821348	1073765443	/nfs/dbraw/zinc/76/54/43/1073765443.db2.gz	HVQQLNUWHDOXPN-LBPRGKRZSA-N	1	1	407.330	1.847	20	0		HDADMO
CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(Cc3nc4ccccc4s3)CC2)CC1	ZINC000216211436	1073768908	/nfs/dbraw/zinc/76/89/08/1073768908.db2.gz	DKSNYXKSYPJSRT-KRWDZBQOSA-N	1	1	401.580	1.967	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1	ZINC000673817286	1073772560	/nfs/dbraw/zinc/77/25/60/1073772560.db2.gz	RDIHRACWGBWNTO-VQTJNVASSA-N	1	1	402.514	1.731	20	0		HDADMO
C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@H+]1CC(C)(C)O	ZINC000429151570	1073787830	/nfs/dbraw/zinc/78/78/30/1073787830.db2.gz	SLUDMLVVAKUYOX-CYBMUJFWSA-N	1	1	417.959	1.730	20	0		HDADMO
COc1ccccc1C(=O)N1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1	ZINC000673831501	1073789038	/nfs/dbraw/zinc/78/90/38/1073789038.db2.gz	TXRODMZDLHFBTI-UHFFFAOYSA-N	1	1	422.489	1.641	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466541960	1073799206	/nfs/dbraw/zinc/79/92/06/1073799206.db2.gz	SSZGIYJEKYGUOR-PBHICJAKSA-N	1	1	422.489	1.417	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1Cc1ccc(F)cc1	ZINC000673839861	1073805623	/nfs/dbraw/zinc/80/56/23/1073805623.db2.gz	HDODZXYCFAVNQN-RTWAWAEBSA-N	1	1	404.530	1.313	20	0		HDADMO
O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@@H]1CCCN1c1ncccn1	ZINC000673834885	1073809435	/nfs/dbraw/zinc/80/94/35/1073809435.db2.gz	JRODUHWSUNDGKZ-IBGZPJMESA-N	1	1	421.505	1.835	20	0		HDADMO
CN(C)c1nc(CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cs1	ZINC000673850067	1073816311	/nfs/dbraw/zinc/81/63/11/1073816311.db2.gz	RMHOGVJTNITBHE-UHFFFAOYSA-N	1	1	403.556	1.616	20	0		HDADMO
NC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1F	ZINC000673875735	1073841924	/nfs/dbraw/zinc/84/19/24/1073841924.db2.gz	DSGXYLGPXKXTGI-BEFAXECRSA-N	1	1	400.454	1.929	20	0		HDADMO
O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000673878773	1073849305	/nfs/dbraw/zinc/84/93/05/1073849305.db2.gz	OTISUEMTWOIOBE-CTNGQTDRSA-N	1	1	410.518	1.958	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1NC(=O)C[NH+]1CCCCC1	ZINC000673889283	1073861589	/nfs/dbraw/zinc/86/15/89/1073861589.db2.gz	PGXLNGYCFBJUKB-UHFFFAOYSA-N	1	1	402.495	1.247	20	0		HDADMO
Cc1cnc(S(C)(=O)=O)nc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC001128559501	1073881084	/nfs/dbraw/zinc/88/10/84/1073881084.db2.gz	FHJVKPMAKDGMJV-CALCHBBNSA-N	1	1	400.504	1.393	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1	ZINC000673911832	1073883367	/nfs/dbraw/zinc/88/33/67/1073883367.db2.gz	GBMWIOCZQMPBNA-OXQOHEQNSA-N	1	1	416.522	1.935	20	0		HDADMO
CC[C@H]1CN(C(=O)NCCNS(=O)(=O)NC(C)C)CC[N@H+]1Cc1ccccc1	ZINC000429163315	1073887186	/nfs/dbraw/zinc/88/71/86/1073887186.db2.gz	MVHQHIVYIMUZSJ-SFHVURJKSA-N	1	1	411.572	1.125	20	0		HDADMO
C[C@](O)(CNC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C[NH+]1CCOCC1	ZINC000429167041	1073910599	/nfs/dbraw/zinc/91/05/99/1073910599.db2.gz	XZVQLHVYEXCLDE-BAGYTPMASA-N	1	1	423.529	1.282	20	0		HDADMO
C[C@](O)(CNC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C[NH+]1CCOCC1	ZINC000429167046	1073910644	/nfs/dbraw/zinc/91/06/44/1073910644.db2.gz	XZVQLHVYEXCLDE-ILWGZMRPSA-N	1	1	423.529	1.282	20	0		HDADMO
CN(C(=O)c1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1)C1CCOCC1	ZINC000429168543	1073913928	/nfs/dbraw/zinc/91/39/28/1073913928.db2.gz	PTDJISTWLSHIOB-UHFFFAOYSA-N	1	1	404.511	1.781	20	0		HDADMO
CC(C)C[C@H](CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[NH+]1CCOCC1	ZINC000026064387	1073929455	/nfs/dbraw/zinc/92/94/55/1073929455.db2.gz	MHTAAYCAWDWYNH-QGZVFWFLSA-N	1	1	408.543	1.446	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCC1CCS(=O)(=O)CC1	ZINC000509177400	1073936918	/nfs/dbraw/zinc/93/69/18/1073936918.db2.gz	GJCCHBBUKFFHGY-UHFFFAOYSA-N	1	1	423.583	1.108	20	0		HDADMO
COc1cccc(C[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)n2nnnc2C)c1	ZINC000642659062	1073940210	/nfs/dbraw/zinc/94/02/10/1073940210.db2.gz	ZEKITRHXUIGLNH-VQTJNVASSA-N	1	1	416.526	1.247	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)C[N@H+]1Cc1ccccc1	ZINC000670438541	1073956142	/nfs/dbraw/zinc/95/61/42/1073956142.db2.gz	NKRGQCBYJSRGML-YLJYHZDGSA-N	1	1	412.534	1.237	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000509183039	1073959685	/nfs/dbraw/zinc/95/96/85/1073959685.db2.gz	JJSWDTCQMMVNKN-INIZCTEOSA-N	1	1	414.506	1.157	20	0		HDADMO
CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@@H](C)c1cnn(C)c1C	ZINC000543518211	1073963860	/nfs/dbraw/zinc/96/38/60/1073963860.db2.gz	HLDGQHGKOKTDQF-JTQLQIEISA-N	1	1	407.496	1.663	20	0		HDADMO
CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c[nH+]c2c1CCCC2	ZINC001005020726	1073967906	/nfs/dbraw/zinc/96/79/06/1073967906.db2.gz	DZHJOTMLCDXDII-CTZQRVGRSA-N	1	1	400.523	1.825	20	0		HDADMO
COCCN1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1=O	ZINC000509184553	1073973728	/nfs/dbraw/zinc/97/37/28/1073973728.db2.gz	OBYNCCMTUHVBQW-UHFFFAOYSA-N	1	1	414.506	1.912	20	0		HDADMO
COCCN1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1=O	ZINC000509184553	1073973731	/nfs/dbraw/zinc/97/37/31/1073973731.db2.gz	OBYNCCMTUHVBQW-UHFFFAOYSA-N	1	1	414.506	1.912	20	0		HDADMO
Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000543523430	1073981869	/nfs/dbraw/zinc/98/18/69/1073981869.db2.gz	VIMPNTCKXNKLJL-INIZCTEOSA-N	1	1	415.450	1.011	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000429183681	1073993106	/nfs/dbraw/zinc/99/31/06/1073993106.db2.gz	PCWYKQNSQARGDU-SFHVURJKSA-N	1	1	411.572	1.125	20	0		HDADMO
CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000509187982	1073994590	/nfs/dbraw/zinc/99/45/90/1073994590.db2.gz	YLLUIMWELGAZRH-ROUUACIJSA-N	1	1	400.527	1.844	20	0		HDADMO
CCn1cnnc1-c1ccccc1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000543524395	1073995078	/nfs/dbraw/zinc/99/50/78/1073995078.db2.gz	NLASNLIYCXSXQS-UHFFFAOYSA-N	1	1	414.510	1.209	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1	ZINC000509190006	1074004525	/nfs/dbraw/zinc/00/45/25/1074004525.db2.gz	KTSBTAZSQUPPLN-GJZGRUSLSA-N	1	1	415.581	1.621	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1	ZINC000509190006	1074004531	/nfs/dbraw/zinc/00/45/31/1074004531.db2.gz	KTSBTAZSQUPPLN-GJZGRUSLSA-N	1	1	415.581	1.621	20	0		HDADMO
O=C(CCc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673990555	1074009825	/nfs/dbraw/zinc/00/98/25/1074009825.db2.gz	HPYKZCIELOJSBU-GOSISDBHSA-N	1	1	410.356	1.904	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[NH+](C)C	ZINC000429187841	1074022382	/nfs/dbraw/zinc/02/23/82/1074022382.db2.gz	YHMGUCSILBQKGD-KRWDZBQOSA-N	1	1	400.483	1.090	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@H]2C1	ZINC000466584160	1074031220	/nfs/dbraw/zinc/03/12/20/1074031220.db2.gz	HHCBJDGDLXNCHJ-CVEARBPZSA-N	1	1	411.428	1.699	20	0		HDADMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1	ZINC000543536477	1074038008	/nfs/dbraw/zinc/03/80/08/1074038008.db2.gz	ODPOVZFEKUBDEM-HNNXBMFYSA-N	1	1	422.551	1.184	20	0		HDADMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1	ZINC000543535675	1074039082	/nfs/dbraw/zinc/03/90/82/1074039082.db2.gz	ALIGAEXXHLFSMN-QZTJIDSGSA-N	1	1	417.554	1.916	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC[N@@H+]1CCO	ZINC000429192224	1074041372	/nfs/dbraw/zinc/04/13/72/1074041372.db2.gz	GRAXJUNPYCPGAN-INIZCTEOSA-N	1	1	410.478	1.075	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC[N@H+]1CCO	ZINC000429192224	1074041379	/nfs/dbraw/zinc/04/13/79/1074041379.db2.gz	GRAXJUNPYCPGAN-INIZCTEOSA-N	1	1	410.478	1.075	20	0		HDADMO
C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1nc(-c2ccc(Br)cc2)no1	ZINC000543544101	1074057487	/nfs/dbraw/zinc/05/74/87/1074057487.db2.gz	NGZGCAZFNTTXQL-SWLSCSKDSA-N	1	1	411.300	1.843	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccco1	ZINC000543544996	1074060256	/nfs/dbraw/zinc/06/02/56/1074060256.db2.gz	GLCCPEMFCXGBSB-MRXNPFEDSA-N	1	1	420.491	1.078	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CC23CCOCC3)cc1	ZINC000674014274	1074072094	/nfs/dbraw/zinc/07/20/94/1074072094.db2.gz	GTIZISURYVLQNM-IBGZPJMESA-N	1	1	400.523	1.652	20	0		HDADMO
Cc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(OC[C@H]2CCCO2)c1	ZINC000466607676	1074082484	/nfs/dbraw/zinc/08/24/84/1074082484.db2.gz	MZVJMDGPVPJALP-DENIHFKCSA-N	1	1	421.538	1.435	20	0		HDADMO
C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000509202539	1074087734	/nfs/dbraw/zinc/08/77/34/1074087734.db2.gz	KFALDUFHVFMHAO-RISCZKNCSA-N	1	1	409.449	1.890	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C[C@@H]1C	ZINC000543556575	1074096202	/nfs/dbraw/zinc/09/62/02/1074096202.db2.gz	FSQAXMPAKAKGFZ-HOTGVXAUSA-N	1	1	416.522	1.492	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000509205720	1074099512	/nfs/dbraw/zinc/09/95/12/1074099512.db2.gz	NNBRYXQFTKWAPJ-MAUKXSAKSA-N	1	1	415.581	1.432	20	0		HDADMO
CCn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O	ZINC000543560009	1074106651	/nfs/dbraw/zinc/10/66/51/1074106651.db2.gz	WFJZGQSJJPGABW-GOEBONIOSA-N	1	1	404.442	1.725	20	0		HDADMO
NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[N@@H+](Cc3ccccc3)CC2)c1	ZINC000164371681	1074107356	/nfs/dbraw/zinc/10/73/56/1074107356.db2.gz	UEWDKADJANBULC-UHFFFAOYSA-N	1	1	416.547	1.871	20	0		HDADMO
NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCCN(Cc3ccccc3)CC2)c1	ZINC000164371681	1074107359	/nfs/dbraw/zinc/10/73/59/1074107359.db2.gz	UEWDKADJANBULC-UHFFFAOYSA-N	1	1	416.547	1.871	20	0		HDADMO
NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCCN(Cc3ccccc3)CC2)c1	ZINC000164371681	1074107361	/nfs/dbraw/zinc/10/73/61/1074107361.db2.gz	UEWDKADJANBULC-UHFFFAOYSA-N	1	1	416.547	1.871	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1	ZINC000429209822	1074123707	/nfs/dbraw/zinc/12/37/07/1074123707.db2.gz	VVSHNOGDHFDCDF-SFHVURJKSA-N	1	1	415.538	1.273	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](CC(N)=O)C3CCOCC3)cc2)C[C@H](C)O1	ZINC000466623521	1074139282	/nfs/dbraw/zinc/13/92/82/1074139282.db2.gz	RXFCRLOJRMVBBN-GQIGUUNPSA-N	1	1	403.523	1.696	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](CC(N)=O)C3CCOCC3)cc2)C[C@H](C)O1	ZINC000466623521	1074139288	/nfs/dbraw/zinc/13/92/88/1074139288.db2.gz	RXFCRLOJRMVBBN-GQIGUUNPSA-N	1	1	403.523	1.696	20	0		HDADMO
CC(C)(c1nnc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)o1)S(C)(=O)=O	ZINC001168752256	1074146595	/nfs/dbraw/zinc/14/65/95/1074146595.db2.gz	HADVRNQASXAYBE-AWEZNQCLSA-N	1	1	410.471	1.145	20	0		HDADMO
CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)C1	ZINC000543580927	1074170171	/nfs/dbraw/zinc/17/01/71/1074170171.db2.gz	VRUJEEHKSKKEIN-SJORKVTESA-N	1	1	410.584	1.907	20	0		HDADMO
CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000674079005	1074178835	/nfs/dbraw/zinc/17/88/35/1074178835.db2.gz	UVKPPVFKAMAIEC-RXVVDRJESA-N	1	1	416.497	1.677	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1	ZINC000674168695	1074201078	/nfs/dbraw/zinc/20/10/78/1074201078.db2.gz	HJPBNGBUZKDPBR-NZSAHSFTSA-N	1	1	408.568	1.620	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1	ZINC001545674891	1074232087	/nfs/dbraw/zinc/23/20/87/1074232087.db2.gz	MYXXCGAPSUXWGB-FUHWJXTLSA-N	1	1	420.583	1.618	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000674226313	1074234303	/nfs/dbraw/zinc/23/43/03/1074234303.db2.gz	PPJDMRDVXLILGC-YJBOKZPZSA-N	1	1	422.485	1.983	20	0		HDADMO
C[N@H+]1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@H]1c1ccccc1	ZINC000429224609	1074245851	/nfs/dbraw/zinc/24/58/51/1074245851.db2.gz	YJPKBDGWXOEELV-AUUYWEPGSA-N	1	1	408.462	1.944	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1	ZINC000674274378	1074254444	/nfs/dbraw/zinc/25/44/44/1074254444.db2.gz	OLDFMKBSYSCDRP-NQIIRXRSSA-N	1	1	408.587	1.915	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1	ZINC000674274378	1074254449	/nfs/dbraw/zinc/25/44/49/1074254449.db2.gz	OLDFMKBSYSCDRP-NQIIRXRSSA-N	1	1	408.587	1.915	20	0		HDADMO
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000674299048	1074262787	/nfs/dbraw/zinc/26/27/87/1074262787.db2.gz	FZNWVNNBFKHVQC-MSOLQXFVSA-N	1	1	406.914	1.952	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Nc3cnn(CCO)c3)cc2)CC1	ZINC000674318860	1074279956	/nfs/dbraw/zinc/27/99/56/1074279956.db2.gz	ISWPYQQGMBHUIP-UHFFFAOYSA-N	1	1	400.483	1.226	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C(C)C)CC2)cc1	ZINC000140472294	1074283471	/nfs/dbraw/zinc/28/34/71/1074283471.db2.gz	OESJFLDZTVTYBT-LJQANCHMSA-N	1	1	409.552	1.649	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(=O)n(-c2cccc(F)c2)c1	ZINC000674359799	1074291633	/nfs/dbraw/zinc/29/16/33/1074291633.db2.gz	DCLQZMCAEQSQBY-LJQANCHMSA-N	1	1	414.481	1.113	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[nH]n2)cc1OC	ZINC000674360660	1074292004	/nfs/dbraw/zinc/29/20/04/1074292004.db2.gz	SKGLANWFWOYANL-MSOLQXFVSA-N	1	1	400.479	1.765	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CCN2C1=O	ZINC000674376980	1074301969	/nfs/dbraw/zinc/30/19/69/1074301969.db2.gz	JDNNXFVYPDFXJQ-SJORKVTESA-N	1	1	402.520	1.271	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1	ZINC000674431643	1074343476	/nfs/dbraw/zinc/34/34/76/1074343476.db2.gz	SUIKMFSTNHZRGE-UTUOFQBUSA-N	1	1	418.382	1.956	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)[C@@H](C)C1	ZINC000674432799	1074343974	/nfs/dbraw/zinc/34/39/74/1074343974.db2.gz	HWDGZKMPKUFDMM-NWZZKEMCSA-N	1	1	423.558	1.143	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C1	ZINC000674448557	1074347389	/nfs/dbraw/zinc/34/73/89/1074347389.db2.gz	KPJLSJNRYMDYJR-YJXLLHPSSA-N	1	1	407.559	1.763	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccc(OC)c(OC)c3)CCN2C1=O	ZINC000674467918	1074365798	/nfs/dbraw/zinc/36/57/98/1074365798.db2.gz	KNTIFAXJVMQDEF-GOEBONIOSA-N	1	1	418.494	1.019	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)Cc3ccc(OC)c(OC)c3)CCN2C1=O	ZINC000674467918	1074365810	/nfs/dbraw/zinc/36/58/10/1074365810.db2.gz	KNTIFAXJVMQDEF-GOEBONIOSA-N	1	1	418.494	1.019	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O	ZINC000674469664	1074368939	/nfs/dbraw/zinc/36/89/39/1074368939.db2.gz	JCAJAYKDEJOQKG-YOEHRIQHSA-N	1	1	422.913	1.534	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O	ZINC000674469664	1074368947	/nfs/dbraw/zinc/36/89/47/1074368947.db2.gz	JCAJAYKDEJOQKG-YOEHRIQHSA-N	1	1	422.913	1.534	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O	ZINC000674501964	1074397509	/nfs/dbraw/zinc/39/75/09/1074397509.db2.gz	PYLRNHBGRKSZOU-AWEZNQCLSA-N	1	1	409.284	1.746	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O	ZINC000674501573	1074397961	/nfs/dbraw/zinc/39/79/61/1074397961.db2.gz	MOCJICZOUXOKMC-CQSZACIVSA-N	1	1	409.284	1.746	20	0		HDADMO
COc1cc(OC)cc(N2C[C@H](C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC2=O)c1	ZINC000674514142	1074411280	/nfs/dbraw/zinc/41/12/80/1074411280.db2.gz	FAFPRTUAOHZIHB-AEFFLSMTSA-N	1	1	417.506	1.380	20	0		HDADMO
O=C(CCC(=O)Nc1c(F)cccc1F)NCC1([NH+]2CCOCC2)CCOCC1	ZINC001626102235	1074415867	/nfs/dbraw/zinc/41/58/67/1074415867.db2.gz	ZBUWEABNWRMRKN-UHFFFAOYSA-N	1	1	411.449	1.681	20	0		HDADMO
Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)cs1	ZINC000674583040	1074449013	/nfs/dbraw/zinc/44/90/13/1074449013.db2.gz	YGMWQXDZXPSHGQ-YWZLYKJASA-N	1	1	419.551	1.500	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1c(F)c(F)cc(F)c1F	ZINC000674624525	1074483338	/nfs/dbraw/zinc/48/33/38/1074483338.db2.gz	HBTUNIAFNMXXMG-AWEZNQCLSA-N	1	1	404.408	1.985	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1noc(-c2ccccc2)n1	ZINC000674614263	1074484909	/nfs/dbraw/zinc/48/49/09/1074484909.db2.gz	OKPDJYVZMIEHEO-MRXNPFEDSA-N	1	1	414.510	1.010	20	0		HDADMO
C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1	ZINC000674630611	1074495508	/nfs/dbraw/zinc/49/55/08/1074495508.db2.gz	FJUNYWPBJKKZBY-AEFFLSMTSA-N	1	1	420.558	1.884	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1=O	ZINC000674643038	1074501554	/nfs/dbraw/zinc/50/15/54/1074501554.db2.gz	MUWRQSPPJMJABR-FGSXEWAUSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674670574	1074520159	/nfs/dbraw/zinc/52/01/59/1074520159.db2.gz	XEZSUMYWMGJFRH-RDTXWAMCSA-N	1	1	407.536	1.134	20	0		HDADMO
C[NH+](C)CCN(C(=O)CNc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000674703001	1074529201	/nfs/dbraw/zinc/52/92/01/1074529201.db2.gz	APZICMPLWLCRFI-OAHLLOKOSA-N	1	1	407.458	1.695	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1	ZINC000674708274	1074535703	/nfs/dbraw/zinc/53/57/03/1074535703.db2.gz	MBLRRIHLNHXDKG-IBGZPJMESA-N	1	1	420.579	1.859	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](CCc2ccccc2)Cc2ccccc2)CC1	ZINC000674766690	1074559970	/nfs/dbraw/zinc/55/99/70/1074559970.db2.gz	KMCLIENWWPYMCX-UHFFFAOYSA-N	1	1	422.573	1.964	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)CNC(=O)c3ccccc3C(F)(F)F)CC2)C1	ZINC000674800817	1074569714	/nfs/dbraw/zinc/56/97/14/1074569714.db2.gz	VGKAIQQLZPGHIA-OAHLLOKOSA-N	1	1	412.456	1.674	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCc3cccc(Cl)c3)CC2)CC1	ZINC000670485733	1074580617	/nfs/dbraw/zinc/58/06/17/1074580617.db2.gz	XFPZLTNIVHHRED-UHFFFAOYSA-N	1	1	406.958	1.973	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(S(N)(=O)=O)c(C)o3)cc2)CC1	ZINC000674839757	1074588743	/nfs/dbraw/zinc/58/87/43/1074588743.db2.gz	GIAIJMXBVZOHBG-UHFFFAOYSA-N	1	1	420.491	1.265	20	0		HDADMO
CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1	ZINC000674870028	1074596963	/nfs/dbraw/zinc/59/69/63/1074596963.db2.gz	ORPNCHRVBBKCMO-LJQANCHMSA-N	1	1	410.518	1.898	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c(=O)[nH]c1=O	ZINC000429241144	1074598510	/nfs/dbraw/zinc/59/85/10/1074598510.db2.gz	ZOZMJYSXSASOHF-MRXNPFEDSA-N	1	1	421.542	1.433	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1	ZINC000674893029	1074610003	/nfs/dbraw/zinc/61/00/03/1074610003.db2.gz	TZBCWUREYDXSSN-MAUKXSAKSA-N	1	1	421.492	1.492	20	0		HDADMO
Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OCCCO)CC2)c(=O)n(-c2ccccc2)n1C	ZINC000674914296	1074612381	/nfs/dbraw/zinc/61/23/81/1074612381.db2.gz	FGIMOEKSZGPHLM-QGZVFWFLSA-N	1	1	416.522	1.675	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(OCCCO)CC3)cc2)CC1	ZINC000674972202	1074648586	/nfs/dbraw/zinc/64/85/86/1074648586.db2.gz	MWXCVKCVJBCFDX-UHFFFAOYSA-N	1	1	418.582	1.897	20	0		HDADMO
COC1(c2ccccc2)CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1	ZINC000509302415	1074667344	/nfs/dbraw/zinc/66/73/44/1074667344.db2.gz	SSGPNOIFSKLWAZ-UHFFFAOYSA-N	1	1	410.474	1.509	20	0		HDADMO
C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)Nc2cnn(CCO)c2)C[C@H](C)O1	ZINC000674994898	1074670335	/nfs/dbraw/zinc/67/03/35/1074670335.db2.gz	WWTQJLZMXQFMIP-GJZGRUSLSA-N	1	1	401.467	1.062	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)c2ccc(N3CCOCC3)nc2)CC1=O	ZINC000543611811	1074697272	/nfs/dbraw/zinc/69/72/72/1074697272.db2.gz	RZMNAHOIQOFGGF-HKUYNNGSSA-N	1	1	415.538	1.214	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)CCN2C1=O	ZINC000675083924	1074699678	/nfs/dbraw/zinc/69/96/78/1074699678.db2.gz	DMJIGJXACQTTQS-CVEARBPZSA-N	1	1	407.902	1.621	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000675086189	1074702112	/nfs/dbraw/zinc/70/21/12/1074702112.db2.gz	PQDZUKVVFJQUSS-OGHNNQOOSA-N	1	1	412.893	1.009	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000675086189	1074702121	/nfs/dbraw/zinc/70/21/21/1074702121.db2.gz	PQDZUKVVFJQUSS-OGHNNQOOSA-N	1	1	412.893	1.009	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1	ZINC000675101827	1074718014	/nfs/dbraw/zinc/71/80/14/1074718014.db2.gz	APXAGMSDHTZARH-CVEARBPZSA-N	1	1	406.962	1.781	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1	ZINC000675101827	1074718020	/nfs/dbraw/zinc/71/80/20/1074718020.db2.gz	APXAGMSDHTZARH-CVEARBPZSA-N	1	1	406.962	1.781	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1	ZINC000675103082	1074719819	/nfs/dbraw/zinc/71/98/19/1074719819.db2.gz	IFGIBCKYMQAVKQ-FCEUIQTBSA-N	1	1	415.582	1.355	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1	ZINC000675103082	1074719824	/nfs/dbraw/zinc/71/98/24/1074719824.db2.gz	IFGIBCKYMQAVKQ-FCEUIQTBSA-N	1	1	415.582	1.355	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1	ZINC000428907383	1074723080	/nfs/dbraw/zinc/72/30/80/1074723080.db2.gz	QURISNVYWBBQIP-UHFFFAOYSA-N	1	1	419.511	1.841	20	0		HDADMO
C[C@@H]([NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)c1cccc(O)c1	ZINC000429318010	1074723948	/nfs/dbraw/zinc/72/39/48/1074723948.db2.gz	PRSGKDCWPNLKCM-CQSZACIVSA-N	1	1	408.458	1.417	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2C)C1=O	ZINC000675127764	1074733036	/nfs/dbraw/zinc/73/30/36/1074733036.db2.gz	ZPDXHUDNYGIATQ-MRXNPFEDSA-N	1	1	413.478	1.018	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000675147308	1074744414	/nfs/dbraw/zinc/74/44/14/1074744414.db2.gz	RARIGLAKRFWASQ-DOTOQJQBSA-N	1	1	403.504	1.492	20	0		HDADMO
CC(C)(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCCO1	ZINC000675176740	1074749452	/nfs/dbraw/zinc/74/94/52/1074749452.db2.gz	XHVFDFQYODUCQS-SFHVURJKSA-N	1	1	404.559	1.883	20	0		HDADMO
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675189833	1074752249	/nfs/dbraw/zinc/75/22/49/1074752249.db2.gz	DCECIUAHWLMGNH-RDJZCZTQSA-N	1	1	408.493	2.000	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)CC[C@@H]21	ZINC000766097530	1074753663	/nfs/dbraw/zinc/75/36/63/1074753663.db2.gz	MGBQSUUGHZLJAF-BYLBRLCDSA-N	1	1	424.545	1.732	20	0		HDADMO
C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl	ZINC000766096814	1074754111	/nfs/dbraw/zinc/75/41/11/1074754111.db2.gz	IFSJRTVCNLDYDM-ILXRZTDVSA-N	1	1	414.959	1.735	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)nn1CCCOc1ccc(F)cc1	ZINC000504030338	1074756354	/nfs/dbraw/zinc/75/63/54/1074756354.db2.gz	IYBMOIPDRBASKB-MRXNPFEDSA-N	1	1	417.485	1.806	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1	ZINC000675221280	1074763302	/nfs/dbraw/zinc/76/33/02/1074763302.db2.gz	WSPGASAOMMDXLV-MRXNPFEDSA-N	1	1	413.522	1.851	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000675252137	1074769310	/nfs/dbraw/zinc/76/93/10/1074769310.db2.gz	SZWBPZYRZGPWEM-DJJJIMSYSA-N	1	1	417.535	1.491	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000675252137	1074769317	/nfs/dbraw/zinc/76/93/17/1074769317.db2.gz	SZWBPZYRZGPWEM-DJJJIMSYSA-N	1	1	417.535	1.491	20	0		HDADMO
Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1	ZINC000675262621	1074773578	/nfs/dbraw/zinc/77/35/78/1074773578.db2.gz	GHEFXXQNKDMTRX-GOSISDBHSA-N	1	1	411.506	1.833	20	0		HDADMO
Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1	ZINC000675263855	1074773977	/nfs/dbraw/zinc/77/39/77/1074773977.db2.gz	PTHCYHLSXIHASU-SFHVURJKSA-N	1	1	410.522	1.358	20	0		HDADMO
CCc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2CC)cc1S(=O)(=O)N1CCOCC1	ZINC001128974104	1074774725	/nfs/dbraw/zinc/77/47/25/1074774725.db2.gz	CXSIHABXFSRFQZ-LJQANCHMSA-N	1	1	423.579	1.826	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000675254524	1074778798	/nfs/dbraw/zinc/77/87/98/1074778798.db2.gz	JVQZCKPHFPEOHB-RTBURBONSA-N	1	1	403.527	1.105	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000448533883	1074781528	/nfs/dbraw/zinc/78/15/28/1074781528.db2.gz	AASSHOYKJPJKRC-ZDUSSCGKSA-N	1	1	413.400	2.320	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCOCC1	ZINC000448534898	1074784661	/nfs/dbraw/zinc/78/46/61/1074784661.db2.gz	MTEJNIYQARBKOT-CQSZACIVSA-N	1	1	419.448	1.637	20	0		HDADMO
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000675281227	1074785943	/nfs/dbraw/zinc/78/59/43/1074785943.db2.gz	PSYWFWDDYCYXRQ-CYBMUJFWSA-N	1	1	402.520	1.751	20	0		HDADMO
Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCCCS(C)(=O)=O)C2)cc1	ZINC000675291443	1074788634	/nfs/dbraw/zinc/78/86/34/1074788634.db2.gz	QTDDIAVHXGIKLA-QGZVFWFLSA-N	1	1	402.582	1.810	20	0		HDADMO
Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCCCS(C)(=O)=O)C2)cc1	ZINC000675291443	1074788641	/nfs/dbraw/zinc/78/86/41/1074788641.db2.gz	QTDDIAVHXGIKLA-QGZVFWFLSA-N	1	1	402.582	1.810	20	0		HDADMO
NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)cc1	ZINC000675327395	1074802981	/nfs/dbraw/zinc/80/29/81/1074802981.db2.gz	NDEZXCOZLZDYHU-UHFFFAOYSA-N	1	1	409.486	1.688	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@@H+]1C	ZINC000675338438	1074806050	/nfs/dbraw/zinc/80/60/50/1074806050.db2.gz	WXIUYBFKRCZZQG-IRXDYDNUSA-N	1	1	406.914	1.360	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@H+]1C	ZINC000675338438	1074806059	/nfs/dbraw/zinc/80/60/59/1074806059.db2.gz	WXIUYBFKRCZZQG-IRXDYDNUSA-N	1	1	406.914	1.360	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]21	ZINC000766112365	1074819237	/nfs/dbraw/zinc/81/92/37/1074819237.db2.gz	JLFGTTFIFLJTES-LEWJYISDSA-N	1	1	414.550	1.884	20	0		HDADMO
COC(=O)c1cc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1C	ZINC000429338562	1075104693	/nfs/dbraw/zinc/10/46/93/1075104693.db2.gz	MVQZOBBUFXJVSJ-NRFANRHFSA-N	1	1	400.479	1.912	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)no1	ZINC000431528536	1075113870	/nfs/dbraw/zinc/11/38/70/1075113870.db2.gz	NILZJECEMKYPCL-SFHVURJKSA-N	1	1	403.527	1.863	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000675379838	1075119138	/nfs/dbraw/zinc/11/91/38/1075119138.db2.gz	QYNRHHAUYUTYDW-GUYCJALGSA-N	1	1	422.888	1.301	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000675379837	1075119239	/nfs/dbraw/zinc/11/92/39/1075119239.db2.gz	QYNRHHAUYUTYDW-DYVFJYSZSA-N	1	1	422.888	1.301	20	0		HDADMO
O=C(NCCc1ccc(C(F)(F)F)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000670514328	1075119808	/nfs/dbraw/zinc/11/98/08/1075119808.db2.gz	TUAMSMSHDWDOFI-MRXNPFEDSA-N	1	1	413.440	1.545	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CCCC1	ZINC000675389630	1075122161	/nfs/dbraw/zinc/12/21/61/1075122161.db2.gz	XRLWRUOIXQKSRA-QGZVFWFLSA-N	1	1	424.904	1.691	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1)CN1CC[NH+](C)CC1	ZINC000675403614	1075128877	/nfs/dbraw/zinc/12/88/77/1075128877.db2.gz	NCMGPWXFQFCEMU-QZTJIDSGSA-N	1	1	412.538	1.431	20	0		HDADMO
Cc1noc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)n1	ZINC000509334140	1075130098	/nfs/dbraw/zinc/13/00/98/1075130098.db2.gz	IXGWANKRLMRNKM-OAHLLOKOSA-N	1	1	400.439	1.180	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H]3CCOC3)cc2)CC1	ZINC000675406067	1075130689	/nfs/dbraw/zinc/13/06/89/1075130689.db2.gz	ASCHKROQFFRARC-IRXDYDNUSA-N	1	1	416.522	1.334	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)no1	ZINC000461577668	1075132893	/nfs/dbraw/zinc/13/28/93/1075132893.db2.gz	KKIMMYBMBDKWSX-HNNXBMFYSA-N	1	1	410.540	1.804	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466677124	1075138155	/nfs/dbraw/zinc/13/81/55/1075138155.db2.gz	CTKYUXKOLYSEDL-MAUKXSAKSA-N	1	1	421.501	1.595	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1	ZINC000427476978	1075147256	/nfs/dbraw/zinc/14/72/56/1075147256.db2.gz	TZBPLDREGIMTHJ-JOCHJYFZSA-N	1	1	413.522	2.029	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccco1	ZINC000670526039	1075149562	/nfs/dbraw/zinc/14/95/62/1075149562.db2.gz	SGPVLYMSHCYIKM-AEFFLSMTSA-N	1	1	407.417	1.877	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@@H](Cc2ccncc2)C1	ZINC000670527122	1075151163	/nfs/dbraw/zinc/15/11/63/1075151163.db2.gz	CFCBUXQTYBIKKU-FQEVSTJZSA-N	1	1	414.550	1.624	20	0		HDADMO
Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000675451692	1075151813	/nfs/dbraw/zinc/15/18/13/1075151813.db2.gz	POGKIZSVUJUCDB-MRXNPFEDSA-N	1	1	421.860	1.412	20	0		HDADMO
C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1	ZINC000429253658	1075152103	/nfs/dbraw/zinc/15/21/03/1075152103.db2.gz	KTXBLOATNDNPEL-XLIONFOSSA-N	1	1	407.580	1.522	20	0		HDADMO
CCc1cc(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)on1	ZINC000766134893	1075152393	/nfs/dbraw/zinc/15/23/93/1075152393.db2.gz	HVYRGXPXHWEZCC-GFCCVEGCSA-N	1	1	401.510	1.813	20	0		HDADMO
Cn1nccc1[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000670526991	1075154364	/nfs/dbraw/zinc/15/43/64/1075154364.db2.gz	BGNGKZQTLSUYLP-SFHVURJKSA-N	1	1	417.554	1.277	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1	ZINC000675457948	1075156770	/nfs/dbraw/zinc/15/67/70/1075156770.db2.gz	BHHBZTYWKKIOKN-GUYCJALGSA-N	1	1	424.904	1.501	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cccc(F)c3)C[C@H]2C)C1	ZINC000429253193	1075157279	/nfs/dbraw/zinc/15/72/79/1075157279.db2.gz	APDYADNZYAFEHD-WIYYLYMNSA-N	1	1	406.546	1.809	20	0		HDADMO
Cc1cc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)nn1-c1ccccc1Cl	ZINC000554146305	1075157947	/nfs/dbraw/zinc/15/79/47/1075157947.db2.gz	HNTKLRYYLMWXIX-UHFFFAOYSA-N	1	1	418.929	2.462	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000144203305	1075165269	/nfs/dbraw/zinc/16/52/69/1075165269.db2.gz	WEAWFCIWGYFMHA-CHWSQXEVSA-N	1	1	413.316	1.646	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000144203305	1075165273	/nfs/dbraw/zinc/16/52/73/1075165273.db2.gz	WEAWFCIWGYFMHA-CHWSQXEVSA-N	1	1	413.316	1.646	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cn(-c2ccccc2)nn1	ZINC000675486253	1075172985	/nfs/dbraw/zinc/17/29/85/1075172985.db2.gz	XMJWOYJPSOUOSA-ROUUACIJSA-N	1	1	413.526	1.034	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)[C@H]1C(C)C	ZINC000429353795	1075180269	/nfs/dbraw/zinc/18/02/69/1075180269.db2.gz	KUDUHZZNNFJOKD-FPOVZHCZSA-N	1	1	415.534	1.927	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000675519321	1075184321	/nfs/dbraw/zinc/18/43/21/1075184321.db2.gz	ZFFWKMDXBQASNM-QGZVFWFLSA-N	1	1	416.566	1.725	20	0		HDADMO
CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500948	1075185461	/nfs/dbraw/zinc/18/54/61/1075185461.db2.gz	QQIKRRGNGFCERV-XUVXKRRUSA-N	1	1	423.579	1.596	20	0		HDADMO
CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500948	1075185466	/nfs/dbraw/zinc/18/54/66/1075185466.db2.gz	QQIKRRGNGFCERV-XUVXKRRUSA-N	1	1	423.579	1.596	20	0		HDADMO
CC[C@H](NC(=O)N1CCC(NC(C)=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500797	1075185650	/nfs/dbraw/zinc/18/56/50/1075185650.db2.gz	LTSFRVHNQLNHAO-SFTDATJTSA-N	1	1	402.539	1.976	20	0		HDADMO
CC[C@H](NC(=O)N1CCC(NC(C)=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500797	1075185654	/nfs/dbraw/zinc/18/56/54/1075185654.db2.gz	LTSFRVHNQLNHAO-SFTDATJTSA-N	1	1	402.539	1.976	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500975	1075185678	/nfs/dbraw/zinc/18/56/78/1075185678.db2.gz	RKBJDMNLVYFQPW-UXHICEINSA-N	1	1	423.579	1.885	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500975	1075185681	/nfs/dbraw/zinc/18/56/81/1075185681.db2.gz	RKBJDMNLVYFQPW-UXHICEINSA-N	1	1	423.579	1.885	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[N@H+]1Cc1ccccc1	ZINC000466686412	1075205735	/nfs/dbraw/zinc/20/57/35/1075205735.db2.gz	MVNLZWNZWUCLQV-RHSMWYFYSA-N	1	1	416.503	1.203	20	0		HDADMO
CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(OC)nn1)c1ccccc1Cl	ZINC000551712401	1075209375	/nfs/dbraw/zinc/20/93/75/1075209375.db2.gz	LLQMWSZSOWRBJQ-HNNXBMFYSA-N	1	1	405.886	2.276	20	0		HDADMO
COCCn1ccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)n1	ZINC000607057801	1075210282	/nfs/dbraw/zinc/21/02/82/1075210282.db2.gz	PLTLFIMQOFCMON-UHFFFAOYSA-N	1	1	402.499	1.681	20	0		HDADMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ncn(CC(=O)N(C)C)n1	ZINC000475844952	1075215555	/nfs/dbraw/zinc/21/55/55/1075215555.db2.gz	NOEWNEOHWFCOJV-GOSISDBHSA-N	1	1	413.526	1.742	20	0		HDADMO
CCC(=O)N1CC[C@@H](NC(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)C1	ZINC000675567619	1075218153	/nfs/dbraw/zinc/21/81/53/1075218153.db2.gz	NEOPBPNCOGXWOJ-GOSISDBHSA-N	1	1	401.511	1.597	20	0		HDADMO
Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(O)c1	ZINC000675605270	1075221379	/nfs/dbraw/zinc/22/13/79/1075221379.db2.gz	LDTALJFHGRWIFO-GOSISDBHSA-N	1	1	402.539	1.447	20	0		HDADMO
Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1	ZINC000675605270	1075221384	/nfs/dbraw/zinc/22/13/84/1075221384.db2.gz	LDTALJFHGRWIFO-GOSISDBHSA-N	1	1	402.539	1.447	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[N@H+]1Cc1ccccc1	ZINC000466689132	1075222002	/nfs/dbraw/zinc/22/20/02/1075222002.db2.gz	KJVSBIHNEAXESC-QAPCUYQASA-N	1	1	405.462	1.380	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)no1	ZINC000448200557	1075222879	/nfs/dbraw/zinc/22/28/79/1075222879.db2.gz	FFLUDAAXONQAJQ-UXLLHSPISA-N	1	1	406.552	2.519	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)n1	ZINC000425928934	1075225896	/nfs/dbraw/zinc/22/58/96/1075225896.db2.gz	WMMVIRHODVCRKP-MRXNPFEDSA-N	1	1	401.511	2.186	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccc2)c1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000675588324	1075226108	/nfs/dbraw/zinc/22/61/08/1075226108.db2.gz	YLUMURFZVUNOPB-FQEVSTJZSA-N	1	1	411.506	1.583	20	0		HDADMO
O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000675587865	1075226919	/nfs/dbraw/zinc/22/69/19/1075226919.db2.gz	RDTQEQGSGFWODN-HXUWFJFHSA-N	1	1	411.506	1.735	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccn(CCc3ccncc3)n2)CC1=O	ZINC000591642136	1075228943	/nfs/dbraw/zinc/22/89/43/1075228943.db2.gz	FHVCRBCTZFQSSH-RTBURBONSA-N	1	1	410.522	1.792	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1	ZINC000675594401	1075231562	/nfs/dbraw/zinc/23/15/62/1075231562.db2.gz	HOYJSCNOKCUDJP-POAQFYNOSA-N	1	1	411.506	1.952	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1	ZINC000490394324	1075231796	/nfs/dbraw/zinc/23/17/96/1075231796.db2.gz	JXLCQIHHPGADDA-UHFFFAOYSA-N	1	1	418.929	1.608	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2nn(-c3ncccc3F)cc2C)CC1	ZINC000448336381	1075232488	/nfs/dbraw/zinc/23/24/88/1075232488.db2.gz	CQHWBRYTFUXYPK-OAHLLOKOSA-N	1	1	403.506	2.110	20	0		HDADMO
O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000484176547	1075233391	/nfs/dbraw/zinc/23/33/91/1075233391.db2.gz	USWJJBDTFLUCBJ-HZPDHXFCSA-N	1	1	402.886	1.661	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C[N@H+]1Cc1ccccc1	ZINC000675598591	1075236899	/nfs/dbraw/zinc/23/68/99/1075236899.db2.gz	ZXJMDBUGSJIKDB-IMFGXOCKSA-N	1	1	411.506	1.780	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C[C@H]1C	ZINC000446794878	1075236994	/nfs/dbraw/zinc/23/69/94/1075236994.db2.gz	FCHZIDDDAZFGDP-CABCVRRESA-N	1	1	402.474	1.985	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[C@@H](CS(C)(=O)=O)C3)CC2)cc1	ZINC000429364992	1075237002	/nfs/dbraw/zinc/23/70/02/1075237002.db2.gz	NULPUFLSOORUEM-LJQANCHMSA-N	1	1	423.579	1.096	20	0		HDADMO
CC[N@@H+]1CCc2nc(NC(=O)c3cc(OC)c(OCC(N)=O)c(OC)c3)sc2C1	ZINC000021296173	1075237288	/nfs/dbraw/zinc/23/72/88/1075237288.db2.gz	SMYPGJXMJOXUNG-UHFFFAOYSA-N	1	1	420.491	1.655	20	0		HDADMO
CC[N@H+]1CCc2nc(NC(=O)c3cc(OC)c(OCC(N)=O)c(OC)c3)sc2C1	ZINC000021296173	1075237292	/nfs/dbraw/zinc/23/72/92/1075237292.db2.gz	SMYPGJXMJOXUNG-UHFFFAOYSA-N	1	1	420.491	1.655	20	0		HDADMO
NC(=O)c1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1	ZINC000675650497	1075247259	/nfs/dbraw/zinc/24/72/59/1075247259.db2.gz	FWSGXBKFBWFRTK-QRFRQXIXSA-N	1	1	415.538	1.307	20	0		HDADMO
O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCN(C(=O)N2CCCCC2)CC1	ZINC000675655903	1075250324	/nfs/dbraw/zinc/25/03/24/1075250324.db2.gz	GULINTXALBQVNH-RBUKOAKNSA-N	1	1	407.559	1.563	20	0		HDADMO
O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCN(C(=O)N2CCCCC2)CC1	ZINC000675655904	1075250339	/nfs/dbraw/zinc/25/03/39/1075250339.db2.gz	GULINTXALBQVNH-RTBURBONSA-N	1	1	407.559	1.563	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)cc2)CC1	ZINC000675707150	1075258660	/nfs/dbraw/zinc/25/86/60/1075258660.db2.gz	OSKRJBQANOKMNJ-INIZCTEOSA-N	1	1	408.449	1.246	20	0		HDADMO
C[C@H](CNC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)CN1CC[NH+](C)CC1	ZINC000429374046	1075263245	/nfs/dbraw/zinc/26/32/45/1075263245.db2.gz	UIUIFEPCARFQMB-SJORKVTESA-N	1	1	400.527	1.904	20	0		HDADMO
C[C@@H](NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1nc(Cc2ccccc2)no1	ZINC000429374043	1075263384	/nfs/dbraw/zinc/26/33/84/1075263384.db2.gz	UIUIFEPCARFQMB-DLBZAZTESA-N	1	1	400.527	1.904	20	0		HDADMO
O=C(CCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(c2ccccc2)CC1	ZINC000675727726	1075263451	/nfs/dbraw/zinc/26/34/51/1075263451.db2.gz	UTNYZXKKOVXDLU-NRFANRHFSA-N	1	1	414.550	1.439	20	0		HDADMO
O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NCC[NH+]1Cc2ccccc2C1	ZINC000675753151	1075264321	/nfs/dbraw/zinc/26/43/21/1075264321.db2.gz	NQXSZYHIYAYWSS-UHFFFAOYSA-N	1	1	408.506	1.037	20	0		HDADMO
Cc1ccc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1S(=O)(=O)N(C)C	ZINC000429377723	1075267027	/nfs/dbraw/zinc/26/70/27/1075267027.db2.gz	NLGQAAXIEADJLH-INIZCTEOSA-N	1	1	422.595	1.990	20	0		HDADMO
CCOC(=O)Cc1csc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)n1	ZINC000047304159	1075267497	/nfs/dbraw/zinc/26/74/97/1075267497.db2.gz	UWKWGDBVQWJPBQ-UHFFFAOYSA-N	1	1	402.520	2.248	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCCOc2ccc3c(c2)OCO3)CC1	ZINC000675777602	1075269772	/nfs/dbraw/zinc/26/97/72/1075269772.db2.gz	ZNQBNXBKYKZVSE-KRWDZBQOSA-N	1	1	403.479	1.515	20	0		HDADMO
O=C(CCCOc1ccc2c(c1)CCC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675799831	1075272932	/nfs/dbraw/zinc/27/29/32/1075272932.db2.gz	OBXVGQDIKSJHFO-NRFANRHFSA-N	1	1	401.551	1.857	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccnc1-n1cncn1	ZINC000429380787	1075274150	/nfs/dbraw/zinc/27/41/50/1075274150.db2.gz	GHOZSLWDGUSAET-NRFANRHFSA-N	1	1	407.478	1.763	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC(C)(C)C(C)(C)C)n2)c1C	ZINC000571170472	1075279246	/nfs/dbraw/zinc/27/92/46/1075279246.db2.gz	CVMCYXRNMMMDPB-UHFFFAOYSA-N	1	1	416.526	2.474	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)n2)c1C	ZINC000434607988	1075280405	/nfs/dbraw/zinc/28/04/05/1075280405.db2.gz	QKUNILOTRZSMTD-HEHGZKQESA-N	1	1	414.510	2.226	20	0		HDADMO
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)Cn3c[nH+]c4c3CCCC4)cn2)C[C@H](C)O1	ZINC000543646908	1075280999	/nfs/dbraw/zinc/28/09/99/1075280999.db2.gz	LSMJMAWTCXKUOG-GASCZTMLSA-N	1	1	400.483	1.233	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[N@H+]1Cc1ccccc1	ZINC000466701991	1075281758	/nfs/dbraw/zinc/28/17/58/1075281758.db2.gz	ANPXNEZZXUGXKS-QAPCUYQASA-N	1	1	422.485	1.760	20	0		HDADMO
CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1	ZINC000543648795	1075282775	/nfs/dbraw/zinc/28/27/75/1075282775.db2.gz	XLPMBHPYQSYWQG-UHFFFAOYSA-N	1	1	417.535	1.019	20	0		HDADMO
O=S(=O)(c1ccc(CNc2cc[nH+]c(N3CCCCC3)n2)s1)N1CCOCC1	ZINC000546040483	1075284098	/nfs/dbraw/zinc/28/40/98/1075284098.db2.gz	SMNZCLPTUCYCSK-UHFFFAOYSA-N	1	1	423.564	2.161	20	0		HDADMO
COCCOCc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1	ZINC000675859967	1075284543	/nfs/dbraw/zinc/28/45/43/1075284543.db2.gz	IEMJMOZMRXVOCX-LJQANCHMSA-N	1	1	404.511	1.620	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC001129090261	1075285098	/nfs/dbraw/zinc/28/50/98/1075285098.db2.gz	WQYBABFRFIAAGL-MQVJKMGUSA-N	1	1	423.535	1.071	20	0		HDADMO
O=C(NCCc1c(Cl)cccc1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000479070146	1075286608	/nfs/dbraw/zinc/28/66/08/1075286608.db2.gz	LLHULRJJHKGBLJ-CQSZACIVSA-N	1	1	414.333	1.833	20	0		HDADMO
Cn1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1=O	ZINC000675901799	1075288403	/nfs/dbraw/zinc/28/84/03/1075288403.db2.gz	BMKQXRWUUPWECD-UHFFFAOYSA-N	1	1	419.323	1.904	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)cc2)CC1	ZINC000675883551	1075288800	/nfs/dbraw/zinc/28/88/00/1075288800.db2.gz	OYQSUJVZOSQXIJ-SJLPKXTDSA-N	1	1	401.511	1.630	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3CCCS3(=O)=O)cc2)CC1	ZINC000675884480	1075288840	/nfs/dbraw/zinc/28/88/40/1075288840.db2.gz	ZQAWWPKFVOVQFG-QGZVFWFLSA-N	1	1	408.524	1.163	20	0		HDADMO
C[N@@H+](CCN1CCN(S(=O)(=O)c2cccc3c2OCO3)CC1)Cc1ccccc1	ZINC000509370891	1075290124	/nfs/dbraw/zinc/29/01/24/1075290124.db2.gz	KNGZBVYZFCBTCH-UHFFFAOYSA-N	1	1	417.531	1.854	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1	ZINC000675918090	1075291512	/nfs/dbraw/zinc/29/15/12/1075291512.db2.gz	OAPVZFXUCQZVJG-HNNXBMFYSA-N	1	1	406.918	1.109	20	0		HDADMO
O=C(N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1n1ccnn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001129118483	1075293851	/nfs/dbraw/zinc/29/38/51/1075293851.db2.gz	LLCFZSOKGCOUGG-LVXVCZMBSA-N	1	1	423.517	1.260	20	0		HDADMO
O=C(N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1n1ccnn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001129118483	1075293855	/nfs/dbraw/zinc/29/38/55/1075293855.db2.gz	LLCFZSOKGCOUGG-LVXVCZMBSA-N	1	1	423.517	1.260	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1=O	ZINC000675911337	1075295412	/nfs/dbraw/zinc/29/54/12/1075295412.db2.gz	TVIWEFWDSVGOOW-QRQLOZEOSA-N	1	1	404.555	1.369	20	0		HDADMO
COc1ccc(CCNC(=S)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1	ZINC000731318352	1075309495	/nfs/dbraw/zinc/30/94/95/1075309495.db2.gz	SHWOGQHBJWCLSY-UHFFFAOYSA-N	1	1	418.607	1.988	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1	ZINC000442054730	1075316392	/nfs/dbraw/zinc/31/63/92/1075316392.db2.gz	DAXPTMWJIJWQAO-UHFFFAOYSA-N	1	1	413.478	1.811	20	0		HDADMO
Cc1ccc(Nc2cccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)c2)nn1	ZINC000553545892	1075317615	/nfs/dbraw/zinc/31/76/15/1075317615.db2.gz	GJOUEEXWOFJCKN-IHWFROFDSA-N	1	1	422.533	2.342	20	0		HDADMO
CCOc1cc(C[NH+]2CCC(OCCCO)CC2)nc2nc(C(F)(F)F)nn21	ZINC000675977559	1075317802	/nfs/dbraw/zinc/31/78/02/1075317802.db2.gz	WQWDGTUYOHJKPU-UHFFFAOYSA-N	1	1	403.405	1.905	20	0		HDADMO
CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000429386746	1075318999	/nfs/dbraw/zinc/31/89/99/1075318999.db2.gz	NJTRUGFZIYLWTE-RBUKOAKNSA-N	1	1	419.957	1.867	20	0		HDADMO
O=C(NC[C@@H](O)COc1ccccc1Br)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000675994325	1075319752	/nfs/dbraw/zinc/31/97/52/1075319752.db2.gz	AIOWSTGZUSWWIA-LSDHHAIUSA-N	1	1	412.328	1.972	20	0		HDADMO
CCN1CCN(C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)[C@H](C)C1=O	ZINC000429389013	1075332102	/nfs/dbraw/zinc/33/21/02/1075332102.db2.gz	WZSQGTKDHBZJCG-OAHLLOKOSA-N	1	1	417.510	1.167	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCCc3ccccc32)cn1	ZINC000731408258	1075332833	/nfs/dbraw/zinc/33/28/33/1075332833.db2.gz	HMEODBKVEIUQNR-QFIPXVFZSA-N	1	1	405.458	1.855	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C3CC3)n(CC)n2)[C@H](C)C1	ZINC000469175877	1075340760	/nfs/dbraw/zinc/34/07/60/1075340760.db2.gz	YSDZOEZMOULODF-WBVHZDCISA-N	1	1	405.543	1.972	20	0		HDADMO
CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1	ZINC000466711845	1075346790	/nfs/dbraw/zinc/34/67/90/1075346790.db2.gz	DUHMOYOJQUKMTB-QFBILLFUSA-N	1	1	424.501	1.529	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)[C@H]1C(C)C	ZINC000429391974	1075354104	/nfs/dbraw/zinc/35/41/04/1075354104.db2.gz	CQORWHGBVYFKMG-KSSFIOAISA-N	1	1	405.451	1.625	20	0		HDADMO
COC(=O)COc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000731470080	1075358513	/nfs/dbraw/zinc/35/85/13/1075358513.db2.gz	MXNUWPWOECQLGX-INIZCTEOSA-N	1	1	404.488	1.920	20	0		HDADMO
C[NH+]1CCN(c2ccc(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)cc2Cl)CC1	ZINC000731474350	1075360070	/nfs/dbraw/zinc/36/00/70/1075360070.db2.gz	OBMLKOHOZCDGTK-UHFFFAOYSA-N	1	1	419.913	1.799	20	0		HDADMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1	ZINC000731484703	1075366655	/nfs/dbraw/zinc/36/66/55/1075366655.db2.gz	PQKXDZAYWJMOLM-ZDUSSCGKSA-N	1	1	400.460	1.723	20	0		HDADMO
Cn1ccnc1-c1csc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1	ZINC000676091484	1075376636	/nfs/dbraw/zinc/37/66/36/1075376636.db2.gz	AUOAHKKQRAYRKU-AWEZNQCLSA-N	1	1	418.523	1.195	20	0		HDADMO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804087121	1075378724	/nfs/dbraw/zinc/37/87/24/1075378724.db2.gz	CZZAOLNJHBWTPR-IKGGRYGDSA-N	1	1	410.559	1.737	20	0		HDADMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804087121	1075378732	/nfs/dbraw/zinc/37/87/32/1075378732.db2.gz	CZZAOLNJHBWTPR-IKGGRYGDSA-N	1	1	410.559	1.737	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466713711	1075380338	/nfs/dbraw/zinc/38/03/38/1075380338.db2.gz	QFQZYZVIVXLDOZ-VQIMIIECSA-N	1	1	424.501	1.659	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000466713371	1075383719	/nfs/dbraw/zinc/38/37/19/1075383719.db2.gz	NHWVSGXGPOOAIN-HOCLYGCPSA-N	1	1	421.519	1.211	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000466713371	1075383723	/nfs/dbraw/zinc/38/37/23/1075383723.db2.gz	NHWVSGXGPOOAIN-HOCLYGCPSA-N	1	1	421.519	1.211	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804090792	1075387160	/nfs/dbraw/zinc/38/71/60/1075387160.db2.gz	LFSYHKFVMFTMKS-ULQDDVLXSA-N	1	1	410.559	1.739	20	0		HDADMO
O=S1(=O)CCCN1c1cc(NC(=S)NCCC[NH+]2CCOCC2)ccc1F	ZINC000731569126	1075390850	/nfs/dbraw/zinc/39/08/50/1075390850.db2.gz	YSGGGVQOIKZUKX-UHFFFAOYSA-N	1	1	416.544	1.374	20	0		HDADMO
O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000676131692	1075391091	/nfs/dbraw/zinc/39/10/91/1075391091.db2.gz	UBFQYYWWJCTNAB-NQIIRXRSSA-N	1	1	408.502	1.977	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1	ZINC000804093820	1075393062	/nfs/dbraw/zinc/39/30/62/1075393062.db2.gz	QHDANWADAYJWEJ-IAGOWNOFSA-N	1	1	408.543	1.493	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804093438	1075393455	/nfs/dbraw/zinc/39/34/55/1075393455.db2.gz	NTPOAZHGEQSYIZ-GVDBMIGSSA-N	1	1	410.559	1.929	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c2cccs2)CC1	ZINC000676136724	1075393921	/nfs/dbraw/zinc/39/39/21/1075393921.db2.gz	FONPXDOYCCFXCD-YESZJQIVSA-N	1	1	405.568	1.489	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H](N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O	ZINC000466719950	1075419789	/nfs/dbraw/zinc/41/97/89/1075419789.db2.gz	SXEMFNSCXQBBGG-FUHWJXTLSA-N	1	1	420.579	1.742	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C	ZINC000446811438	1075420281	/nfs/dbraw/zinc/42/02/81/1075420281.db2.gz	ZLXZQRNRSFVNCO-OAHLLOKOSA-N	1	1	411.441	1.849	20	0		HDADMO
CS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000429403374	1075424520	/nfs/dbraw/zinc/42/45/20/1075424520.db2.gz	ILVGYHVVWFIKBH-FZMZJTMJSA-N	1	1	410.305	1.694	20	0		HDADMO
CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000429403374	1075424529	/nfs/dbraw/zinc/42/45/29/1075424529.db2.gz	ILVGYHVVWFIKBH-FZMZJTMJSA-N	1	1	410.305	1.694	20	0		HDADMO
COc1ccc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1NC(C)=O	ZINC000676203967	1075426338	/nfs/dbraw/zinc/42/63/38/1075426338.db2.gz	RJINONHMUIUOBU-HUUCEWRRSA-N	1	1	413.540	1.821	20	0		HDADMO
Cc1ccc(N2C[C@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1F	ZINC000731655176	1075439115	/nfs/dbraw/zinc/43/91/15/1075439115.db2.gz	JKLVUTAVRAKMSE-OAHLLOKOSA-N	1	1	404.486	1.156	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(F)(F)Oc3ccc(C=O)cc3)CC2)CC1	ZINC000731640326	1075442048	/nfs/dbraw/zinc/44/20/48/1075442048.db2.gz	LATJACBAVLROCO-UHFFFAOYSA-N	1	1	423.460	1.873	20	0		HDADMO
C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676242077	1075443162	/nfs/dbraw/zinc/44/31/62/1075443162.db2.gz	OFXAKBZNHRPURZ-WMZOPIPTSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676242077	1075443165	/nfs/dbraw/zinc/44/31/65/1075443165.db2.gz	OFXAKBZNHRPURZ-WMZOPIPTSA-N	1	1	424.567	1.380	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676244274	1075446527	/nfs/dbraw/zinc/44/65/27/1075446527.db2.gz	SRHQAWQSUQUYBN-YJBOKZPZSA-N	1	1	412.556	1.234	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676244274	1075446529	/nfs/dbraw/zinc/44/65/29/1075446529.db2.gz	SRHQAWQSUQUYBN-YJBOKZPZSA-N	1	1	412.556	1.234	20	0		HDADMO
C[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1C[N@H+](C)CCO1	ZINC000676244509	1075446949	/nfs/dbraw/zinc/44/69/49/1075446949.db2.gz	VHNPIOKSBNWGPY-IAQYHMDHSA-N	1	1	414.300	1.739	20	0		HDADMO
C[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1C[N@@H+](C)CCO1	ZINC000676244509	1075446953	/nfs/dbraw/zinc/44/69/53/1075446953.db2.gz	VHNPIOKSBNWGPY-IAQYHMDHSA-N	1	1	414.300	1.739	20	0		HDADMO
C[C@H](NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CN(C)CCO1	ZINC000676246420	1075447876	/nfs/dbraw/zinc/44/78/76/1075447876.db2.gz	HPRWIZFBNIBULJ-QFBILLFUSA-N	1	1	409.962	1.480	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000544156969	1075447846	/nfs/dbraw/zinc/44/78/46/1075447846.db2.gz	SGEMSCVAPYFVKU-SFHVURJKSA-N	1	1	405.543	1.988	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)C2)c1	ZINC000676246307	1075447924	/nfs/dbraw/zinc/44/79/24/1075447924.db2.gz	TYBKASRWJGQDIV-JXXFODFXSA-N	1	1	406.527	1.548	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)C2)c1	ZINC000676246307	1075447929	/nfs/dbraw/zinc/44/79/29/1075447929.db2.gz	TYBKASRWJGQDIV-JXXFODFXSA-N	1	1	406.527	1.548	20	0		HDADMO
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676256744	1075451659	/nfs/dbraw/zinc/45/16/59/1075451659.db2.gz	FWHNDTOEMPRCII-YOEHRIQHSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676256744	1075451664	/nfs/dbraw/zinc/45/16/64/1075451664.db2.gz	FWHNDTOEMPRCII-YOEHRIQHSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259053	1075453666	/nfs/dbraw/zinc/45/36/66/1075453666.db2.gz	QAGKFJUDVCLHQO-UZLBHIALSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259053	1075453669	/nfs/dbraw/zinc/45/36/69/1075453669.db2.gz	QAGKFJUDVCLHQO-UZLBHIALSA-N	1	1	417.531	1.961	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676259023	1075454766	/nfs/dbraw/zinc/45/47/66/1075454766.db2.gz	ZUSHVQQPCMRBTD-KSSFIOAISA-N	1	1	413.540	1.175	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676259023	1075454768	/nfs/dbraw/zinc/45/47/68/1075454768.db2.gz	ZUSHVQQPCMRBTD-KSSFIOAISA-N	1	1	413.540	1.175	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676258523	1075455574	/nfs/dbraw/zinc/45/55/74/1075455574.db2.gz	CLANDKNMGGTBJP-NLWGTHIKSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258523	1075455577	/nfs/dbraw/zinc/45/55/77/1075455577.db2.gz	CLANDKNMGGTBJP-NLWGTHIKSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258549	1075455901	/nfs/dbraw/zinc/45/59/01/1075455901.db2.gz	JFOBHCKFIHVZQO-ZENOOKHLSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258549	1075455908	/nfs/dbraw/zinc/45/59/08/1075455908.db2.gz	JFOBHCKFIHVZQO-ZENOOKHLSA-N	1	1	410.312	1.637	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1	ZINC000731672571	1075456819	/nfs/dbraw/zinc/45/68/19/1075456819.db2.gz	WVKJLUQSWZGZCN-ZWKOTPCHSA-N	1	1	412.575	1.401	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1	ZINC000731672568	1075456843	/nfs/dbraw/zinc/45/68/43/1075456843.db2.gz	WVKJLUQSWZGZCN-MSOLQXFVSA-N	1	1	412.575	1.401	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259572	1075457017	/nfs/dbraw/zinc/45/70/17/1075457017.db2.gz	XLKSDPWSDUQYKC-KDOFPFPSSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259572	1075457020	/nfs/dbraw/zinc/45/70/20/1075457020.db2.gz	XLKSDPWSDUQYKC-KDOFPFPSSA-N	1	1	407.492	1.207	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676259621	1075457149	/nfs/dbraw/zinc/45/71/49/1075457149.db2.gz	ZDQXUFXRZHBQNS-LPHOPBHVSA-N	1	1	411.568	1.946	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676259621	1075457155	/nfs/dbraw/zinc/45/71/55/1075457155.db2.gz	ZDQXUFXRZHBQNS-LPHOPBHVSA-N	1	1	411.568	1.946	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676259619	1075457161	/nfs/dbraw/zinc/45/71/61/1075457161.db2.gz	ZDQXUFXRZHBQNS-APWZRJJASA-N	1	1	411.568	1.946	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676259619	1075457166	/nfs/dbraw/zinc/45/71/66/1075457166.db2.gz	ZDQXUFXRZHBQNS-APWZRJJASA-N	1	1	411.568	1.946	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676261115	1075457719	/nfs/dbraw/zinc/45/77/19/1075457719.db2.gz	KFOLMMPHKUPOAK-YSVLISHTSA-N	1	1	413.440	1.889	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676261115	1075457722	/nfs/dbraw/zinc/45/77/22/1075457722.db2.gz	KFOLMMPHKUPOAK-YSVLISHTSA-N	1	1	413.440	1.889	20	0		HDADMO
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676260642	1075458803	/nfs/dbraw/zinc/45/88/03/1075458803.db2.gz	GQJSZKITCLYFNM-IUODEOHRSA-N	1	1	408.442	1.400	20	0		HDADMO
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676260642	1075458804	/nfs/dbraw/zinc/45/88/04/1075458804.db2.gz	GQJSZKITCLYFNM-IUODEOHRSA-N	1	1	408.442	1.400	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1C[N@H+](C)CCO1	ZINC000676261788	1075460068	/nfs/dbraw/zinc/46/00/68/1075460068.db2.gz	OXAZFWMLPZWULI-NHYWBVRUSA-N	1	1	412.284	1.010	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261788	1075460076	/nfs/dbraw/zinc/46/00/76/1075460076.db2.gz	OXAZFWMLPZWULI-NHYWBVRUSA-N	1	1	412.284	1.010	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676263293	1075462950	/nfs/dbraw/zinc/46/29/50/1075462950.db2.gz	WVLJOHMIZZXPCU-WBAXXEDZSA-N	1	1	405.499	1.828	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676263293	1075462954	/nfs/dbraw/zinc/46/29/54/1075462954.db2.gz	WVLJOHMIZZXPCU-WBAXXEDZSA-N	1	1	405.499	1.828	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676248197	1075465027	/nfs/dbraw/zinc/46/50/27/1075465027.db2.gz	PBWGIYAKLQBVLY-RBUKOAKNSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676248197	1075465031	/nfs/dbraw/zinc/46/50/31/1075465031.db2.gz	PBWGIYAKLQBVLY-RBUKOAKNSA-N	1	1	417.554	1.288	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000731683144	1075466439	/nfs/dbraw/zinc/46/64/39/1075466439.db2.gz	YREQKQBUYYPZER-CALCHBBNSA-N	1	1	410.584	1.903	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)C2)cc(OC)c1	ZINC000676250051	1075466790	/nfs/dbraw/zinc/46/67/90/1075466790.db2.gz	VIASQGNVGVZRTI-KNBMTAEXSA-N	1	1	406.527	1.296	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)C2)cc(OC)c1	ZINC000676250051	1075466795	/nfs/dbraw/zinc/46/67/95/1075466795.db2.gz	VIASQGNVGVZRTI-KNBMTAEXSA-N	1	1	406.527	1.296	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251905	1075468486	/nfs/dbraw/zinc/46/84/86/1075468486.db2.gz	SFFLRMZYRGWHTM-AUUYWEPGSA-N	1	1	418.494	1.495	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251905	1075468488	/nfs/dbraw/zinc/46/84/88/1075468488.db2.gz	SFFLRMZYRGWHTM-AUUYWEPGSA-N	1	1	418.494	1.495	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252188	1075469717	/nfs/dbraw/zinc/46/97/17/1075469717.db2.gz	PZDCITPDHXHNJO-TXPKVOOTSA-N	1	1	421.517	1.199	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252188	1075469723	/nfs/dbraw/zinc/46/97/23/1075469723.db2.gz	PZDCITPDHXHNJO-TXPKVOOTSA-N	1	1	421.517	1.199	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252253	1075470164	/nfs/dbraw/zinc/47/01/64/1075470164.db2.gz	QTEVEYORHRWLKX-ICSRJNTNSA-N	1	1	402.539	1.582	20	0		HDADMO
COc1cc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)ccc1C	ZINC000676252652	1075470043	/nfs/dbraw/zinc/47/00/43/1075470043.db2.gz	RMNGUJIFJLFBCX-APWZRJJASA-N	1	1	404.511	1.190	20	0		HDADMO
COc1cc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)ccc1C	ZINC000676252652	1075470048	/nfs/dbraw/zinc/47/00/48/1075470048.db2.gz	RMNGUJIFJLFBCX-APWZRJJASA-N	1	1	404.511	1.190	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252253	1075470169	/nfs/dbraw/zinc/47/01/69/1075470169.db2.gz	QTEVEYORHRWLKX-ICSRJNTNSA-N	1	1	402.539	1.582	20	0		HDADMO
COCc1c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cnn1-c1ccccc1	ZINC000466724691	1075471269	/nfs/dbraw/zinc/47/12/69/1075471269.db2.gz	KNZNVORSFZSDRG-INIZCTEOSA-N	1	1	400.479	1.728	20	0		HDADMO
COCc1c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cnn1-c1ccccc1	ZINC000466724691	1075471276	/nfs/dbraw/zinc/47/12/76/1075471276.db2.gz	KNZNVORSFZSDRG-INIZCTEOSA-N	1	1	400.479	1.728	20	0		HDADMO
C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1	ZINC000547274435	1075471333	/nfs/dbraw/zinc/47/13/33/1075471333.db2.gz	XVOXAJQMUMCCBT-QAPCUYQASA-N	1	1	410.312	1.237	20	0		HDADMO
Cc1c[nH+]c(N[C@H](CCO)C2CCOCC2)nc1N[C@H](CCO)C1CCOCC1	ZINC000460951968	1075472878	/nfs/dbraw/zinc/47/28/78/1075472878.db2.gz	NEJAIPHVOLDOJR-RTBURBONSA-N	1	1	408.543	1.964	20	0		HDADMO
Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1	ZINC000676271065	1075473372	/nfs/dbraw/zinc/47/33/72/1075473372.db2.gz	ZJXJPOVWBWELME-UHFFFAOYSA-N	1	1	403.527	1.498	20	0		HDADMO
CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)n1	ZINC000676278126	1075476297	/nfs/dbraw/zinc/47/62/97/1075476297.db2.gz	DODOCSZNKFLWSX-IAQYHMDHSA-N	1	1	421.885	1.726	20	0		HDADMO
CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)n1	ZINC000676278126	1075476304	/nfs/dbraw/zinc/47/63/04/1075476304.db2.gz	DODOCSZNKFLWSX-IAQYHMDHSA-N	1	1	421.885	1.726	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676277620	1075477397	/nfs/dbraw/zinc/47/73/97/1075477397.db2.gz	AYGUCNZYKKBTCD-IINYFYTJSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676277620	1075477402	/nfs/dbraw/zinc/47/74/02/1075477402.db2.gz	AYGUCNZYKKBTCD-IINYFYTJSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676277621	1075478113	/nfs/dbraw/zinc/47/81/13/1075478113.db2.gz	AYGUCNZYKKBTCD-QMTHXVAHSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676277621	1075478116	/nfs/dbraw/zinc/47/81/16/1075478116.db2.gz	AYGUCNZYKKBTCD-QMTHXVAHSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278785	1075479721	/nfs/dbraw/zinc/47/97/21/1075479721.db2.gz	JZCHYZJZPYCLHI-BEFAXECRSA-N	1	1	401.463	1.770	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278785	1075479727	/nfs/dbraw/zinc/47/97/27/1075479727.db2.gz	JZCHYZJZPYCLHI-BEFAXECRSA-N	1	1	401.463	1.770	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278496	1075481049	/nfs/dbraw/zinc/48/10/49/1075481049.db2.gz	IVCGQPLLYVVREI-DYVFJYSZSA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278496	1075481051	/nfs/dbraw/zinc/48/10/51/1075481051.db2.gz	IVCGQPLLYVVREI-DYVFJYSZSA-N	1	1	422.913	1.350	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1C(=O)N1CCCC1	ZINC000676278502	1075481056	/nfs/dbraw/zinc/48/10/56/1075481056.db2.gz	IYAVISDJAOMMPQ-YJBOKZPZSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1C(=O)N1CCCC1	ZINC000676278502	1075481058	/nfs/dbraw/zinc/48/10/58/1075481058.db2.gz	IYAVISDJAOMMPQ-YJBOKZPZSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1C(=O)N1CCCC1	ZINC000676279267	1075481368	/nfs/dbraw/zinc/48/13/68/1075481368.db2.gz	BRSRFBCUTRONTH-RDJZCZTQSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C(=O)N1CCCC1	ZINC000676279267	1075481371	/nfs/dbraw/zinc/48/13/71/1075481371.db2.gz	BRSRFBCUTRONTH-RDJZCZTQSA-N	1	1	402.495	1.005	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1Br	ZINC000676279805	1075482552	/nfs/dbraw/zinc/48/25/52/1075482552.db2.gz	QIJVFOLBMALSAI-QMTHXVAHSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Br	ZINC000676279805	1075482556	/nfs/dbraw/zinc/48/25/56/1075482556.db2.gz	QIJVFOLBMALSAI-QMTHXVAHSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12)[C@@H]1C[N@H+](C)CCO1	ZINC000676279622	1075483829	/nfs/dbraw/zinc/48/38/29/1075483829.db2.gz	DXGJUTIFUIBJNF-ABAIWWIYSA-N	1	1	408.405	1.610	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279622	1075483831	/nfs/dbraw/zinc/48/38/31/1075483831.db2.gz	DXGJUTIFUIBJNF-ABAIWWIYSA-N	1	1	408.405	1.610	20	0		HDADMO
COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676282257	1075489738	/nfs/dbraw/zinc/48/97/38/1075489738.db2.gz	ZSVPYBVHXIZILW-QMTHXVAHSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676282257	1075489743	/nfs/dbraw/zinc/48/97/43/1075489743.db2.gz	ZSVPYBVHXIZILW-QMTHXVAHSA-N	1	1	400.273	1.232	20	0		HDADMO
CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676288071	1075491529	/nfs/dbraw/zinc/49/15/29/1075491529.db2.gz	KNNDCEGLIQDESH-OXJNMPFZSA-N	1	1	418.538	1.708	20	0		HDADMO
CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676288071	1075491531	/nfs/dbraw/zinc/49/15/31/1075491531.db2.gz	KNNDCEGLIQDESH-OXJNMPFZSA-N	1	1	418.538	1.708	20	0		HDADMO
COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)N2CCOCC2)cc1	ZINC000676289070	1075492380	/nfs/dbraw/zinc/49/23/80/1075492380.db2.gz	KZTLNNPENUMEHN-LSTHTHJFSA-N	1	1	406.527	1.087	20	0		HDADMO
COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)N2CCOCC2)cc1	ZINC000676289070	1075492383	/nfs/dbraw/zinc/49/23/83/1075492383.db2.gz	KZTLNNPENUMEHN-LSTHTHJFSA-N	1	1	406.527	1.087	20	0		HDADMO
O=C(NCCNc1nc(N2CCOCC2)cc[nH+]1)c1ccc(Br)cc1	ZINC000676308683	1075493543	/nfs/dbraw/zinc/49/35/43/1075493543.db2.gz	YZDHXKSLOWGOGX-UHFFFAOYSA-N	1	1	406.284	1.918	20	0		HDADMO
COc1cccc([C@H]2[C@@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@@H+]2C2CC2)c1	ZINC000569397412	1075495370	/nfs/dbraw/zinc/49/53/70/1075495370.db2.gz	IVYLUCPUKHFMRP-RXVVDRJESA-N	1	1	423.517	2.339	20	0		HDADMO
COc1cccc([C@H]2[C@@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@H+]2C2CC2)c1	ZINC000569397412	1075495371	/nfs/dbraw/zinc/49/53/71/1075495371.db2.gz	IVYLUCPUKHFMRP-RXVVDRJESA-N	1	1	423.517	2.339	20	0		HDADMO
C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOC[C@H]3CCOC3)cc2Cl)CC1	ZINC000731766296	1075500703	/nfs/dbraw/zinc/50/07/03/1075500703.db2.gz	XISQXWMNCLLGAT-HNNXBMFYSA-N	1	1	424.929	1.200	20	0		HDADMO
COc1ccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)cc1OC	ZINC000676304535	1075502721	/nfs/dbraw/zinc/50/27/21/1075502721.db2.gz	AWFOLOSIIWLPQA-UHFFFAOYSA-N	1	1	413.478	1.293	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676305507	1075503483	/nfs/dbraw/zinc/50/34/83/1075503483.db2.gz	PMSDWCFJONNJGT-BBRMVZONSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676305507	1075503485	/nfs/dbraw/zinc/50/34/85/1075503485.db2.gz	PMSDWCFJONNJGT-BBRMVZONSA-N	1	1	412.893	1.666	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(c3nccc(N4CCOCC4)n3)CC2)CC1	ZINC000676309701	1075503509	/nfs/dbraw/zinc/50/35/09/1075503509.db2.gz	DWSLZAQAIXVTPQ-UHFFFAOYSA-N	1	1	402.543	1.084	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(Nc2cc[nH+]c(N3CCOCC3)n2)CC1	ZINC000543695025	1075504499	/nfs/dbraw/zinc/50/44/99/1075504499.db2.gz	DRIIUDRTEDNBGP-UHFFFAOYSA-N	1	1	411.506	1.967	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676308121	1075504713	/nfs/dbraw/zinc/50/47/13/1075504713.db2.gz	VIVGQQPNKQYWTN-LXZKKBNFSA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676308121	1075504718	/nfs/dbraw/zinc/50/47/18/1075504718.db2.gz	VIVGQQPNKQYWTN-LXZKKBNFSA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H]1C[N@H+](C)CCO1	ZINC000676306406	1075504848	/nfs/dbraw/zinc/50/48/48/1075504848.db2.gz	UKBQNXSURVFOQY-WBMJQRKESA-N	1	1	418.307	1.811	20	0		HDADMO
C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306406	1075504854	/nfs/dbraw/zinc/50/48/54/1075504854.db2.gz	UKBQNXSURVFOQY-WBMJQRKESA-N	1	1	418.307	1.811	20	0		HDADMO
Cc1n[nH]cc1-c1nnc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1	ZINC000444993630	1075504800	/nfs/dbraw/zinc/50/48/00/1075504800.db2.gz	AEDIHYCAMMCDML-LSDHHAIUSA-N	1	1	413.507	1.994	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307916	1075505308	/nfs/dbraw/zinc/50/53/08/1075505308.db2.gz	SWKFZCPVBDFNHI-YJBOKZPZSA-N	1	1	420.945	1.534	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307916	1075505310	/nfs/dbraw/zinc/50/53/10/1075505310.db2.gz	SWKFZCPVBDFNHI-YJBOKZPZSA-N	1	1	420.945	1.534	20	0		HDADMO
O[C@H](CNc1nc(N2CCOCC2)cc[nH+]1)COc1ccccc1Br	ZINC000676312323	1075509454	/nfs/dbraw/zinc/50/94/54/1075509454.db2.gz	JNOQZMVDXDPQDQ-CYBMUJFWSA-N	1	1	409.284	1.928	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1	ZINC000543669889	1075510684	/nfs/dbraw/zinc/51/06/84/1075510684.db2.gz	LMFKADVDVGZZRN-XUVXKRRUSA-N	1	1	418.513	1.994	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c2cccs2)CC1	ZINC000676335280	1075511068	/nfs/dbraw/zinc/51/10/68/1075511068.db2.gz	FHPUMQCQIKIZNQ-GOEBONIOSA-N	1	1	416.613	1.117	20	0		HDADMO
Cn1cc(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)CC2=O)cn1	ZINC000429423344	1075511650	/nfs/dbraw/zinc/51/16/50/1075511650.db2.gz	AKZPREAONJPXCM-BEFAXECRSA-N	1	1	416.551	1.923	20	0		HDADMO
C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N2CCCC2=O)cc1	ZINC000731759543	1075513886	/nfs/dbraw/zinc/51/38/86/1075513886.db2.gz	PFAZZQYTOJMNAR-INIZCTEOSA-N	1	1	415.538	1.726	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1	ZINC000731762160	1075516254	/nfs/dbraw/zinc/51/62/54/1075516254.db2.gz	GPHRQVSLJDPUMR-OAQYLSRUSA-N	1	1	420.529	1.833	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1	ZINC000804221891	1075519940	/nfs/dbraw/zinc/51/99/40/1075519940.db2.gz	XMFLWGXPGBCDEU-MRXNPFEDSA-N	1	1	412.575	1.938	20	0		HDADMO
CC(=O)NC1(c2noc(CCC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)n2)CCCCCC1	ZINC000676333120	1075522037	/nfs/dbraw/zinc/52/20/37/1075522037.db2.gz	KEPRDXACYDRCIS-DOTOQJQBSA-N	1	1	421.542	1.523	20	0		HDADMO
CC(=O)NC1(c2noc(CCC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)n2)CCCCCC1	ZINC000676333120	1075522040	/nfs/dbraw/zinc/52/20/40/1075522040.db2.gz	KEPRDXACYDRCIS-DOTOQJQBSA-N	1	1	421.542	1.523	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@H]1C[N@H+](C)CCO1	ZINC000676332830	1075522067	/nfs/dbraw/zinc/52/20/67/1075522067.db2.gz	TYLKYPPGRATMHP-AUUYWEPGSA-N	1	1	408.458	1.327	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676332830	1075522070	/nfs/dbraw/zinc/52/20/70/1075522070.db2.gz	TYLKYPPGRATMHP-AUUYWEPGSA-N	1	1	408.458	1.327	20	0		HDADMO
C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc2)CC1	ZINC000731781435	1075522212	/nfs/dbraw/zinc/52/22/12/1075522212.db2.gz	VOUBPWLLSNAIPJ-UHFFFAOYSA-N	1	1	409.533	1.643	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)(c2ccccc2)CC1	ZINC000676334074	1075523564	/nfs/dbraw/zinc/52/35/64/1075523564.db2.gz	RYFMKKBUGXWUFZ-IEBWSBKVSA-N	1	1	423.579	1.205	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)(c2ccccc2)CC1	ZINC000676334074	1075523566	/nfs/dbraw/zinc/52/35/66/1075523566.db2.gz	RYFMKKBUGXWUFZ-IEBWSBKVSA-N	1	1	423.579	1.205	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676333375	1075523734	/nfs/dbraw/zinc/52/37/34/1075523734.db2.gz	LFLRAUKVJQLVKW-YLJYHZDGSA-N	1	1	402.539	1.786	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676333375	1075523738	/nfs/dbraw/zinc/52/37/38/1075523738.db2.gz	LFLRAUKVJQLVKW-YLJYHZDGSA-N	1	1	402.539	1.786	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1	ZINC000731827280	1075525413	/nfs/dbraw/zinc/52/54/13/1075525413.db2.gz	WHPHAAJVIFWFJV-MWTRTKDXSA-N	1	1	424.501	1.132	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000731826880	1075525594	/nfs/dbraw/zinc/52/55/94/1075525594.db2.gz	OFHNJOFRFSBHRB-VQIMIIECSA-N	1	1	416.522	1.488	20	0		HDADMO
C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731846645	1075530079	/nfs/dbraw/zinc/53/00/79/1075530079.db2.gz	LCCDHMMHPXKHSX-QGZVFWFLSA-N	1	1	416.570	1.091	20	0		HDADMO
C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731846331	1075530312	/nfs/dbraw/zinc/53/03/12/1075530312.db2.gz	FGDGYEMZLWTMLI-CQSZACIVSA-N	1	1	421.567	1.050	20	0		HDADMO
CC[N@@H+]1CCCN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)CC1	ZINC000470760618	1075530538	/nfs/dbraw/zinc/53/05/38/1075530538.db2.gz	DDEZRQJCBHKGBY-UHFFFAOYSA-N	1	1	403.302	1.747	20	0		HDADMO
CC[N@H+]1CCCN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)CC1	ZINC000470760618	1075530544	/nfs/dbraw/zinc/53/05/44/1075530544.db2.gz	DDEZRQJCBHKGBY-UHFFFAOYSA-N	1	1	403.302	1.747	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000731848551	1075531448	/nfs/dbraw/zinc/53/14/48/1075531448.db2.gz	UWOONAMVNSWUOF-APVMCDBPSA-N	1	1	403.504	1.704	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)C1	ZINC000676359549	1075532789	/nfs/dbraw/zinc/53/27/89/1075532789.db2.gz	RFLQRGQJVCYHQB-JKSUJKDBSA-N	1	1	400.479	1.035	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1	ZINC000731850929	1075533707	/nfs/dbraw/zinc/53/37/07/1075533707.db2.gz	ZCMLAIWZFRJANT-SFHVURJKSA-N	1	1	413.540	1.838	20	0		HDADMO
Cc1nccc(NCc2cccc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c2)n1	ZINC000544558609	1075536527	/nfs/dbraw/zinc/53/65/27/1075536527.db2.gz	SIDROGYSORIASE-HXUWFJFHSA-N	1	1	422.533	1.776	20	0		HDADMO
O=C(Cc1cc(Br)ccc1F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676380247	1075538761	/nfs/dbraw/zinc/53/87/61/1075538761.db2.gz	JXHMAXOHIPJOPG-INIZCTEOSA-N	1	1	414.319	1.653	20	0		HDADMO
CN(C)C(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000731842442	1075546657	/nfs/dbraw/zinc/54/66/57/1075546657.db2.gz	JNFRZPOONKHKIP-SFHVURJKSA-N	1	1	402.495	1.040	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)C2=O)cc1	ZINC000731842673	1075546689	/nfs/dbraw/zinc/54/66/89/1075546689.db2.gz	IJMWEIAXEXLUQG-NRFANRHFSA-N	1	1	420.510	1.224	20	0		HDADMO
CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000676426332	1075546797	/nfs/dbraw/zinc/54/67/97/1075546797.db2.gz	MAZMLFIMJKLJCU-FQEVSTJZSA-N	1	1	416.570	1.182	20	0		HDADMO
CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000676426332	1075546800	/nfs/dbraw/zinc/54/68/00/1075546800.db2.gz	MAZMLFIMJKLJCU-FQEVSTJZSA-N	1	1	416.570	1.182	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000731873753	1075548930	/nfs/dbraw/zinc/54/89/30/1075548930.db2.gz	ZYPJRDXHBFZIQG-FGZHOGPDSA-N	1	1	424.545	1.886	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)NCC[NH+]2Cc3ccccc3C2)s1	ZINC000676419907	1075549438	/nfs/dbraw/zinc/54/94/38/1075549438.db2.gz	XRSOAOYYBBQNEK-UHFFFAOYSA-N	1	1	408.549	1.650	20	0		HDADMO
CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1	ZINC000731867638	1075558929	/nfs/dbraw/zinc/55/89/29/1075558929.db2.gz	YFIWZIZIBRRVET-KRWDZBQOSA-N	1	1	416.975	1.674	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(S(N)(=O)=O)c3cccnc32)CC1	ZINC000731904266	1075563745	/nfs/dbraw/zinc/56/37/45/1075563745.db2.gz	FZRNDQJDQKMRAR-UHFFFAOYSA-N	1	1	419.551	1.263	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)Cn2cnc3c(C)cccc3c2=O)CC1	ZINC000731919500	1075571277	/nfs/dbraw/zinc/57/12/77/1075571277.db2.gz	SVVLDXBSVLDDAY-UHFFFAOYSA-N	1	1	401.463	1.523	20	0		HDADMO
C[C@H]1COCCCN1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000676520440	1075576008	/nfs/dbraw/zinc/57/60/08/1075576008.db2.gz	WHJHMCFXOBRGGY-KRWDZBQOSA-N	1	1	403.527	1.540	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000731962688	1075576969	/nfs/dbraw/zinc/57/69/69/1075576969.db2.gz	SKKJZQAJOYXGDW-HXUWFJFHSA-N	1	1	400.523	1.939	20	0		HDADMO
CCn1c(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2ccccc21	ZINC000731962935	1075577556	/nfs/dbraw/zinc/57/75/56/1075577556.db2.gz	FINVCGNFTSNLCH-IBGZPJMESA-N	1	1	413.522	1.386	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1c1cnn(C)c1	ZINC000676542128	1075580389	/nfs/dbraw/zinc/58/03/89/1075580389.db2.gz	JBIUXZLECKPCNO-VVWQDTPRSA-N	1	1	400.527	1.572	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000439593769	1075585185	/nfs/dbraw/zinc/58/51/85/1075585185.db2.gz	HHWGKXXLNQKMBK-MRXNPFEDSA-N	1	1	421.423	2.525	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)Cc1ccc(F)cc1	ZINC000676552947	1075586159	/nfs/dbraw/zinc/58/61/59/1075586159.db2.gz	OQCYKWOTCBUSQH-UHFFFAOYSA-N	1	1	410.453	1.652	20	0		HDADMO
C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)[C@@H]2CCCOC2)CC1	ZINC000543679178	1075599757	/nfs/dbraw/zinc/59/97/57/1075599757.db2.gz	ARDGUBKZZUATGP-MJGOQNOKSA-N	1	1	407.536	1.091	20	0		HDADMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC000429102927	1075600135	/nfs/dbraw/zinc/60/01/35/1075600135.db2.gz	MFPRWYZNDCJQSX-GOEBONIOSA-N	1	1	422.489	2.334	20	0		HDADMO
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1	ZINC000427010763	1075600160	/nfs/dbraw/zinc/60/01/60/1075600160.db2.gz	YJNFDMBZUSDWKA-PKOBYXMFSA-N	1	1	424.549	2.040	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C	ZINC000804178923	1075604776	/nfs/dbraw/zinc/60/47/76/1075604776.db2.gz	ZQXFYGNTVBUORP-DOTOQJQBSA-N	1	1	408.543	1.445	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)Nc1ccn(CC(F)F)n1	ZINC000441126099	1075609140	/nfs/dbraw/zinc/60/91/40/1075609140.db2.gz	QRBOPXALSIKLCF-HUUCEWRRSA-N	1	1	405.449	2.208	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)Nc1ccn(CC(F)F)n1	ZINC000441126099	1075609145	/nfs/dbraw/zinc/60/91/45/1075609145.db2.gz	QRBOPXALSIKLCF-HUUCEWRRSA-N	1	1	405.449	2.208	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000804180739	1075611442	/nfs/dbraw/zinc/61/14/42/1075611442.db2.gz	UANFUYDPVIEXKL-JKSUJKDBSA-N	1	1	410.559	1.739	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)C2CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000676632550	1075624837	/nfs/dbraw/zinc/62/48/37/1075624837.db2.gz	KXXVKETWAOSFRX-SFHVURJKSA-N	1	1	409.552	1.811	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)C2CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000676632550	1075624844	/nfs/dbraw/zinc/62/48/44/1075624844.db2.gz	KXXVKETWAOSFRX-SFHVURJKSA-N	1	1	409.552	1.811	20	0		HDADMO
C[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C[C@@H](O)C1CC1	ZINC000676633277	1075625651	/nfs/dbraw/zinc/62/56/51/1075625651.db2.gz	WIDDINAAPHDBQU-GOSISDBHSA-N	1	1	409.552	1.180	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+](C)C[C@@H](O)C1CC1	ZINC000676633192	1075625676	/nfs/dbraw/zinc/62/56/76/1075625676.db2.gz	UHRKZSGGDKOWED-MRXNPFEDSA-N	1	1	412.328	1.857	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+](C)C[C@@H](O)C1CC1	ZINC000676633192	1075625679	/nfs/dbraw/zinc/62/56/79/1075625679.db2.gz	UHRKZSGGDKOWED-MRXNPFEDSA-N	1	1	412.328	1.857	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cn(-c2ccccc2Br)nn1	ZINC000732114114	1075628251	/nfs/dbraw/zinc/62/82/51/1075628251.db2.gz	GDRWKFROHNLHCI-UHFFFAOYSA-N	1	1	421.343	1.739	20	0		HDADMO
O=C(CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CCOc2ccccc21	ZINC000732128193	1075631396	/nfs/dbraw/zinc/63/13/96/1075631396.db2.gz	UPJJJCFBXHUMOM-GOSISDBHSA-N	1	1	401.507	1.906	20	0		HDADMO
CN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@H]1C[NH+]2CCC1CC2	ZINC000732159386	1075641898	/nfs/dbraw/zinc/64/18/98/1075641898.db2.gz	HBQILAFEBOKEDG-VIFPVBQESA-N	1	1	408.343	1.324	20	0		HDADMO
CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCc2c1cnn2C	ZINC000676684616	1075647601	/nfs/dbraw/zinc/64/76/01/1075647601.db2.gz	OYFMUILWXPTRRG-SFHVURJKSA-N	1	1	412.542	1.441	20	0		HDADMO
COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000732149874	1075649308	/nfs/dbraw/zinc/64/93/08/1075649308.db2.gz	SLIGJUCGZHSULF-SOUVJXGZSA-N	1	1	404.511	1.274	20	0		HDADMO
COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000732149873	1075649343	/nfs/dbraw/zinc/64/93/43/1075649343.db2.gz	SLIGJUCGZHSULF-RRFJBIMHSA-N	1	1	404.511	1.274	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)CC2)cc1	ZINC000429458430	1075651245	/nfs/dbraw/zinc/65/12/45/1075651245.db2.gz	YEFOUGYPGIKFIP-ILZDJORESA-N	1	1	400.523	1.922	20	0		HDADMO
CN(Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732188904	1075654005	/nfs/dbraw/zinc/65/40/05/1075654005.db2.gz	OBXOGTTXKLNRQQ-AWEZNQCLSA-N	1	1	420.505	1.939	20	0		HDADMO
CN(Cn1nc(N2CCOCC2)n(C[C@@H]2CCCO2)c1=S)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732190056	1075655018	/nfs/dbraw/zinc/65/50/18/1075655018.db2.gz	WHPURZRAPHEQIA-ROUUACIJSA-N	1	1	422.599	1.556	20	0		HDADMO
O=C([C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)C1)N1CCCC1	ZINC000732192161	1075656228	/nfs/dbraw/zinc/65/62/28/1075656228.db2.gz	WHAFTYXQWQBXMK-GOSISDBHSA-N	1	1	416.522	1.960	20	0		HDADMO
O=C([C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)C1)N1CCCC1	ZINC000732192161	1075656232	/nfs/dbraw/zinc/65/62/32/1075656232.db2.gz	WHAFTYXQWQBXMK-GOSISDBHSA-N	1	1	416.522	1.960	20	0		HDADMO
COc1cc(OC)c(OC)cc1CNC(=O)CON=C(N)C[N@H+]1CCCC[C@H]1C	ZINC000732195770	1075657032	/nfs/dbraw/zinc/65/70/32/1075657032.db2.gz	PBRKZZMXFVLFLH-CQSZACIVSA-N	1	1	408.499	1.701	20	0		HDADMO
COc1cc(CNC(=O)CON=C(N)C[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC	ZINC000732196120	1075657352	/nfs/dbraw/zinc/65/73/52/1075657352.db2.gz	TXYDBUAYXVWGTB-AWEZNQCLSA-N	1	1	408.499	1.701	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)CC1	ZINC000732180373	1075662968	/nfs/dbraw/zinc/66/29/68/1075662968.db2.gz	HYIWTLKMDJCVOK-GOSISDBHSA-N	1	1	414.428	1.608	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NCCOc1ccc2c(c1)OCO2	ZINC000732210516	1075667242	/nfs/dbraw/zinc/66/72/42/1075667242.db2.gz	ISMSAHSRDCKGHN-MRXNPFEDSA-N	1	1	403.479	1.387	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NCCOc1ccc2c(c1)OCO2	ZINC000732210516	1075667243	/nfs/dbraw/zinc/66/72/43/1075667243.db2.gz	ISMSAHSRDCKGHN-MRXNPFEDSA-N	1	1	403.479	1.387	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)CC1	ZINC000732210190	1075667518	/nfs/dbraw/zinc/66/75/18/1075667518.db2.gz	DZLNNTGNKSWHDZ-IBGZPJMESA-N	1	1	406.571	1.569	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000732211931	1075667957	/nfs/dbraw/zinc/66/79/57/1075667957.db2.gz	VJWYZSKGMAQEKK-INIZCTEOSA-N	1	1	416.478	1.583	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000732211931	1075667959	/nfs/dbraw/zinc/66/79/59/1075667959.db2.gz	VJWYZSKGMAQEKK-INIZCTEOSA-N	1	1	416.478	1.583	20	0		HDADMO
O=C(CC[N@H+]1CCCC[C@H]1CN1CCCC1=O)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000732211144	1075668437	/nfs/dbraw/zinc/66/84/37/1075668437.db2.gz	BATRIZOEZNLLDX-INIZCTEOSA-N	1	1	419.526	1.139	20	0		HDADMO
CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1	ZINC000676738588	1075670940	/nfs/dbraw/zinc/67/09/40/1075670940.db2.gz	BBINTHOEVYYLNB-APWZRJJASA-N	1	1	407.561	1.967	20	0		HDADMO
COCc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c(N)n1	ZINC000500925718	1075672957	/nfs/dbraw/zinc/67/29/57/1075672957.db2.gz	ONDOIXVEJYAOGA-CQSZACIVSA-N	1	1	401.467	1.227	20	0		HDADMO
COCc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)c(N)n1	ZINC000500925718	1075672960	/nfs/dbraw/zinc/67/29/60/1075672960.db2.gz	ONDOIXVEJYAOGA-CQSZACIVSA-N	1	1	401.467	1.227	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1	ZINC000732221846	1075673504	/nfs/dbraw/zinc/67/35/04/1075673504.db2.gz	MXFGMNCVLXIABF-INIZCTEOSA-N	1	1	404.577	1.496	20	0		HDADMO
CC(C)NC(=O)c1ccccc1NC(=O)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000732201427	1075674639	/nfs/dbraw/zinc/67/46/39/1075674639.db2.gz	AIVMYCWFPROQMU-LJQANCHMSA-N	1	1	415.582	1.865	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(c2cn[nH]c2)CC1	ZINC000507223790	1075677143	/nfs/dbraw/zinc/67/71/43/1075677143.db2.gz	JZUMYZKEPWXAPM-ZDUSSCGKSA-N	1	1	403.508	1.214	20	0		HDADMO
CC[NH+](CC)CCOC1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1	ZINC000466742048	1075678592	/nfs/dbraw/zinc/67/85/92/1075678592.db2.gz	WIQGTFDCYWNDLO-UHFFFAOYSA-N	1	1	422.614	1.670	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	ZINC000732254078	1075680536	/nfs/dbraw/zinc/68/05/36/1075680536.db2.gz	RTFHHNDTSYSHPJ-NSHDSACASA-N	1	1	421.414	1.460	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)C1	ZINC000604389662	1075683870	/nfs/dbraw/zinc/68/38/70/1075683870.db2.gz	HBCCUTNKSCZYBJ-QGZVFWFLSA-N	1	1	400.506	1.548	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(CN2CCCC[C@H]2C[NH+]2CCOCC2)n1	ZINC000532570132	1075684246	/nfs/dbraw/zinc/68/42/46/1075684246.db2.gz	UISMYXDBQFYUKO-SFHVURJKSA-N	1	1	411.554	1.868	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(CN2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1	ZINC000471157992	1075685501	/nfs/dbraw/zinc/68/55/01/1075685501.db2.gz	AVHLZTLPOYUVLJ-SFHVURJKSA-N	1	1	410.570	1.394	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000804216239	1075690661	/nfs/dbraw/zinc/69/06/61/1075690661.db2.gz	DJIHMQQATFCPTE-SJORKVTESA-N	1	1	412.575	1.938	20	0		HDADMO
C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1=O	ZINC000429464835	1075691053	/nfs/dbraw/zinc/69/10/53/1075691053.db2.gz	DUVPSCHKQSOFIZ-YZGWKJHDSA-N	1	1	415.538	1.325	20	0		HDADMO
CCO[C@@H]1C[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C12CCCCC2	ZINC000429464436	1075693084	/nfs/dbraw/zinc/69/30/84/1075693084.db2.gz	VXUYCXIUPGQNCP-WOJBJXKFSA-N	1	1	410.603	1.804	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1	ZINC001545676661	1075694492	/nfs/dbraw/zinc/69/44/92/1075694492.db2.gz	HOKBPEJHBOLNMS-FHWLQOOXSA-N	1	1	418.586	1.994	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCS[C@H](C)[C@H]1C	ZINC000509438137	1075695267	/nfs/dbraw/zinc/69/52/67/1075695267.db2.gz	LLUOZBGNUDJSQW-KZNAEPCWSA-N	1	1	404.580	1.666	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](COC)C1	ZINC001545675537	1075701337	/nfs/dbraw/zinc/70/13/37/1075701337.db2.gz	ZRZIEDGWKAVPHQ-PKOBYXMFSA-N	1	1	402.543	1.846	20	0		HDADMO
COc1cc2[nH+]c(NC3CCN(S(=O)(=O)CC(C)C)CC3)nc(N)c2cc1OC	ZINC000538511623	1075701904	/nfs/dbraw/zinc/70/19/04/1075701904.db2.gz	ZUHHZMLAVIXSQN-UHFFFAOYSA-N	1	1	423.539	1.513	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)n1	ZINC000429022017	1075702309	/nfs/dbraw/zinc/70/23/09/1075702309.db2.gz	AIRGYFVLBSIQDJ-QGZVFWFLSA-N	1	1	416.551	1.710	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)n1	ZINC000429022017	1075702315	/nfs/dbraw/zinc/70/23/15/1075702315.db2.gz	AIRGYFVLBSIQDJ-QGZVFWFLSA-N	1	1	416.551	1.710	20	0		HDADMO
C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)Nc3nc4ccccn4n3)CC2)C[C@H](C)O1	ZINC000545404356	1075702448	/nfs/dbraw/zinc/70/24/48/1075702448.db2.gz	RCRRFBKAFNTTRE-IYBDPMFKSA-N	1	1	402.499	1.851	20	0		HDADMO
C[C@@H]1C[N@H+](CCOC2CCN(C(=O)Nc3nc4ccccn4n3)CC2)C[C@H](C)O1	ZINC000545404356	1075702455	/nfs/dbraw/zinc/70/24/55/1075702455.db2.gz	RCRRFBKAFNTTRE-IYBDPMFKSA-N	1	1	402.499	1.851	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1	ZINC001545676660	1075704674	/nfs/dbraw/zinc/70/46/74/1075704674.db2.gz	HOHQHUPCPYMSPG-QGZVFWFLSA-N	1	1	419.574	1.189	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000548933127	1075709419	/nfs/dbraw/zinc/70/94/19/1075709419.db2.gz	OQVVMRODLHXJFN-IAGOWNOFSA-N	1	1	410.522	1.681	20	0		HDADMO
C[C@H](C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[NH+]1CCSCC1	ZINC000482055788	1075709482	/nfs/dbraw/zinc/70/94/82/1075709482.db2.gz	WIBPWEARQCNIOD-OAHLLOKOSA-N	1	1	400.552	1.294	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)n1	ZINC000471993344	1075712375	/nfs/dbraw/zinc/71/23/75/1075712375.db2.gz	SYPIZZRVPJHBNB-HOCLYGCPSA-N	1	1	405.890	1.587	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1	ZINC000471993344	1075712381	/nfs/dbraw/zinc/71/23/81/1075712381.db2.gz	SYPIZZRVPJHBNB-HOCLYGCPSA-N	1	1	405.890	1.587	20	0		HDADMO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000556203870	1075714197	/nfs/dbraw/zinc/71/41/97/1075714197.db2.gz	CXAYADMYQCKXOQ-HIFRSBDPSA-N	1	1	415.460	1.960	20	0		HDADMO
COC(C)(C)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439145	1075714212	/nfs/dbraw/zinc/71/42/12/1075714212.db2.gz	OBHHMMTXVGICTE-ZWKOTPCHSA-N	1	1	404.555	1.633	20	0		HDADMO
CCc1cnccc1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509438456	1075717292	/nfs/dbraw/zinc/71/72/92/1075717292.db2.gz	CAEPZMTYKUFFDC-SFHVURJKSA-N	1	1	409.534	1.587	20	0		HDADMO
Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000572080426	1075719096	/nfs/dbraw/zinc/71/90/96/1075719096.db2.gz	IVTOYHQSEVGICB-INIZCTEOSA-N	1	1	420.539	1.183	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O	ZINC000509439705	1075720748	/nfs/dbraw/zinc/72/07/48/1075720748.db2.gz	QDIQBVSVNXLVTF-SVFBPWRDSA-N	1	1	416.566	1.323	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CCCO)CC(C)(C)C	ZINC000509440864	1075724279	/nfs/dbraw/zinc/72/42/79/1075724279.db2.gz	HKDHZOBSCDJGDO-IBGZPJMESA-N	1	1	418.582	1.570	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F	ZINC000509440474	1075724722	/nfs/dbraw/zinc/72/47/22/1075724722.db2.gz	GTYWZZVACLJNGQ-KBAYOESNSA-N	1	1	424.492	1.590	20	0		HDADMO
Cc1nc(CN(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cs1	ZINC000509442330	1075725391	/nfs/dbraw/zinc/72/53/91/1075725391.db2.gz	OLAHBYCONIBRJJ-MRXNPFEDSA-N	1	1	415.563	1.737	20	0		HDADMO
Cc1nc(CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cs1	ZINC000509442329	1075725400	/nfs/dbraw/zinc/72/54/00/1075725400.db2.gz	OLAHBYCONIBRJJ-INIZCTEOSA-N	1	1	415.563	1.737	20	0		HDADMO
Nc1nccc([C@H]2CCC[N@H+](CC(=O)NCCc3cnn(-c4ccccc4)c3)C2)n1	ZINC000576959253	1075726332	/nfs/dbraw/zinc/72/63/32/1075726332.db2.gz	AXBDJUBGUJYRDZ-SFHVURJKSA-N	1	1	405.506	1.783	20	0		HDADMO
Nc1nccc([C@H]2CCC[N@@H+](CC(=O)NCCc3cnn(-c4ccccc4)c3)C2)n1	ZINC000576959253	1075726336	/nfs/dbraw/zinc/72/63/36/1075726336.db2.gz	AXBDJUBGUJYRDZ-SFHVURJKSA-N	1	1	405.506	1.783	20	0		HDADMO
Nc1nccc([C@H]2CCC[N@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C2)n1	ZINC000558743338	1075726501	/nfs/dbraw/zinc/72/65/01/1075726501.db2.gz	UTKSFKGNWBIOCI-KRWDZBQOSA-N	1	1	400.552	1.644	20	0		HDADMO
Nc1nccc([C@H]2CCC[N@@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C2)n1	ZINC000558743338	1075726505	/nfs/dbraw/zinc/72/65/05/1075726505.db2.gz	UTKSFKGNWBIOCI-KRWDZBQOSA-N	1	1	400.552	1.644	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1O	ZINC000509442448	1075736756	/nfs/dbraw/zinc/73/67/56/1075736756.db2.gz	PSCRUUPVHPIAQO-DFQSSKMNSA-N	1	1	402.539	1.075	20	0		HDADMO
COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732413393	1075738965	/nfs/dbraw/zinc/73/89/65/1075738965.db2.gz	TWVAAUXCVSSKST-QGZVFWFLSA-N	1	1	416.522	1.381	20	0		HDADMO
COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732413393	1075738972	/nfs/dbraw/zinc/73/89/72/1075738972.db2.gz	TWVAAUXCVSSKST-QGZVFWFLSA-N	1	1	416.522	1.381	20	0		HDADMO
COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c(OC)c1	ZINC000732413436	1075739128	/nfs/dbraw/zinc/73/91/28/1075739128.db2.gz	UWCOHUAESBNDDI-MSOLQXFVSA-N	1	1	420.506	1.698	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000732412663	1075739176	/nfs/dbraw/zinc/73/91/76/1075739176.db2.gz	JPZREJXEKNEPFT-GOSISDBHSA-N	1	1	402.539	1.930	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)CC2)oc1C	ZINC000429477784	1075743252	/nfs/dbraw/zinc/74/32/52/1075743252.db2.gz	QXSBYNQWBQCVBT-VHSSKADRSA-N	1	1	403.527	1.812	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](c1nccn1C)c1ccccc1OC	ZINC000732442020	1075744989	/nfs/dbraw/zinc/74/49/89/1075744989.db2.gz	RCZZZUSLELGKQW-APWZRJJASA-N	1	1	401.511	1.928	20	0		HDADMO
Cc1nc2c(s1)CCC[C@H]2C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000427485991	1075745816	/nfs/dbraw/zinc/74/58/16/1075745816.db2.gz	DVXJXAAWNCTLPK-UONOGXRCSA-N	1	1	402.524	1.682	20	0		HDADMO
Cc1nc2c(s1)CCC[C@H]2C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000427485991	1075745819	/nfs/dbraw/zinc/74/58/19/1075745819.db2.gz	DVXJXAAWNCTLPK-UONOGXRCSA-N	1	1	402.524	1.682	20	0		HDADMO
C[C@H](CN1CCCC1=O)Nc1cc(N[C@H](C)CN2CCCC2=O)c2ccncc2[nH+]1	ZINC000555925691	1075754297	/nfs/dbraw/zinc/75/42/97/1075754297.db2.gz	RJXNXWWVHNBXLO-HZPDHXFCSA-N	1	1	410.522	2.475	20	0		HDADMO
NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1)c1ccc(F)cc1	ZINC000554847861	1075755041	/nfs/dbraw/zinc/75/50/41/1075755041.db2.gz	GUQVLLVYDRPQGM-CQSZACIVSA-N	1	1	400.458	1.286	20	0		HDADMO
NC(=O)CCN(C(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1)c1ccc(F)cc1	ZINC000554847861	1075755044	/nfs/dbraw/zinc/75/50/44/1075755044.db2.gz	GUQVLLVYDRPQGM-CQSZACIVSA-N	1	1	400.458	1.286	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000488990605	1075756203	/nfs/dbraw/zinc/75/62/03/1075756203.db2.gz	WNHPLYRKDUYCQN-KUHUBIRLSA-N	1	1	407.522	1.893	20	0		HDADMO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509265728	1075758573	/nfs/dbraw/zinc/75/85/73/1075758573.db2.gz	BFURHPKCMBGQOZ-CABCVRRESA-N	1	1	400.570	1.352	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	ZINC000732485241	1075762007	/nfs/dbraw/zinc/76/20/07/1075762007.db2.gz	OMCPBYUEAPBKKS-INIZCTEOSA-N	1	1	407.946	1.631	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000551246596	1075765384	/nfs/dbraw/zinc/76/53/84/1075765384.db2.gz	STUMTJRYRZQURZ-UHFFFAOYSA-N	1	1	423.521	1.769	20	0		HDADMO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C)N2CCc3ccccc3C2)CC1	ZINC000509447400	1075765859	/nfs/dbraw/zinc/76/58/59/1075765859.db2.gz	BVASNNIOCNCSQH-IBGZPJMESA-N	1	1	415.582	1.629	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C)C1CC1	ZINC000804224461	1075776396	/nfs/dbraw/zinc/77/63/96/1075776396.db2.gz	QCTHCIKDQJHXOS-DOTOQJQBSA-N	1	1	410.559	1.739	20	0		HDADMO
CN(C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000509269384	1075783227	/nfs/dbraw/zinc/78/32/27/1075783227.db2.gz	SSQRJDVRELMHSO-GDBMZVCRSA-N	1	1	412.581	1.637	20	0		HDADMO
CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1	ZINC001063226064	1075784310	/nfs/dbraw/zinc/78/43/10/1075784310.db2.gz	HLZFQZUXCJYASF-YYXZMQKJSA-N	1	1	400.523	1.975	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CCC[C@@H](CO)C3)CC2)cc1OC	ZINC000016337860	1075785689	/nfs/dbraw/zinc/78/56/89/1075785689.db2.gz	ATQOSEAJQJWQIQ-GOSISDBHSA-N	1	1	405.539	1.361	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559546	1075786848	/nfs/dbraw/zinc/78/68/48/1075786848.db2.gz	NWYDZPYXZBLDHS-HOTGVXAUSA-N	1	1	420.476	1.777	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559546	1075786855	/nfs/dbraw/zinc/78/68/55/1075786855.db2.gz	NWYDZPYXZBLDHS-HOTGVXAUSA-N	1	1	420.476	1.777	20	0		HDADMO
CC(=O)[C@H]1CC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1	ZINC000732563639	1075789323	/nfs/dbraw/zinc/78/93/23/1075789323.db2.gz	LYPHQMCVZQHUFI-IFMALSPDSA-N	1	1	411.550	1.837	20	0		HDADMO
CC(=O)[C@H]1CC(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1	ZINC000732563639	1075789327	/nfs/dbraw/zinc/78/93/27/1075789327.db2.gz	LYPHQMCVZQHUFI-IFMALSPDSA-N	1	1	411.550	1.837	20	0		HDADMO
CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732563635	1075789438	/nfs/dbraw/zinc/78/94/38/1075789438.db2.gz	LWTWTNDCJAFFFF-FQEVSTJZSA-N	1	1	411.550	1.792	20	0		HDADMO
CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732563635	1075789443	/nfs/dbraw/zinc/78/94/43/1075789443.db2.gz	LWTWTNDCJAFFFF-FQEVSTJZSA-N	1	1	411.550	1.792	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1C[N@H+]2CCN1CCC2	ZINC000486824591	1075790358	/nfs/dbraw/zinc/79/03/58/1075790358.db2.gz	GWCRBLSAKPLDCT-CVEARBPZSA-N	1	1	412.412	1.197	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CO[NH+]=C(N)C2CCOCC2)cc1	ZINC000732570271	1075790517	/nfs/dbraw/zinc/79/05/17/1075790517.db2.gz	MAQBVBJREFIRHH-UHFFFAOYSA-N	1	1	412.512	1.581	20	0		HDADMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)[C@@H]2C1	ZINC000496088935	1075797106	/nfs/dbraw/zinc/79/71/06/1075797106.db2.gz	JAJRELSJTWTMFB-TZMCWYRMSA-N	1	1	422.411	1.777	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@@H+](CCO)Cc2cccc(Br)c2)C[C@@H](C)O1	ZINC000488195575	1075806478	/nfs/dbraw/zinc/80/64/78/1075806478.db2.gz	FPFLMTHFBIHHRQ-IIDMSEBBSA-N	1	1	401.345	1.714	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1	ZINC000143067330	1075807595	/nfs/dbraw/zinc/80/75/95/1075807595.db2.gz	NEJVHRMXTIEQRE-HNNXBMFYSA-N	1	1	401.511	1.384	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446805684	1075809398	/nfs/dbraw/zinc/80/93/98/1075809398.db2.gz	GOCHZKBWMYTARV-HOCLYGCPSA-N	1	1	423.439	2.411	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1	ZINC000611036289	1075818410	/nfs/dbraw/zinc/81/84/10/1075818410.db2.gz	JYEXORDXOCUMKQ-GOSISDBHSA-N	1	1	407.555	1.903	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1	ZINC000611038520	1075818696	/nfs/dbraw/zinc/81/86/96/1075818696.db2.gz	SNKXBNGPYHJHJX-AWEZNQCLSA-N	1	1	408.499	1.425	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1	ZINC000611038520	1075818701	/nfs/dbraw/zinc/81/87/01/1075818701.db2.gz	SNKXBNGPYHJHJX-AWEZNQCLSA-N	1	1	408.499	1.425	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1	ZINC000611037991	1075818766	/nfs/dbraw/zinc/81/87/66/1075818766.db2.gz	GDCXRONACOTZQO-CQSZACIVSA-N	1	1	401.463	1.906	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1	ZINC000611037991	1075818774	/nfs/dbraw/zinc/81/87/74/1075818774.db2.gz	GDCXRONACOTZQO-CQSZACIVSA-N	1	1	401.463	1.906	20	0		HDADMO
COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)CCC2	ZINC000611037669	1075818792	/nfs/dbraw/zinc/81/87/92/1075818792.db2.gz	BZNHNPFAFIDPSW-CYBMUJFWSA-N	1	1	403.508	1.966	20	0		HDADMO
COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H](Cn3ccnn3)C1)CCC2	ZINC000611037669	1075818798	/nfs/dbraw/zinc/81/87/98/1075818798.db2.gz	BZNHNPFAFIDPSW-CYBMUJFWSA-N	1	1	403.508	1.966	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000611038408	1075819114	/nfs/dbraw/zinc/81/91/14/1075819114.db2.gz	RLZUCVMEKUILTR-WMZOPIPTSA-N	1	1	403.479	1.920	20	0		HDADMO
C[C@](O)(CNC(=O)Nc1nnc(SCc2ccccc2)s1)C[NH+]1CCOCC1	ZINC000437585393	1075819334	/nfs/dbraw/zinc/81/93/34/1075819334.db2.gz	AAULWYGAGVTBRW-SFHVURJKSA-N	1	1	423.564	2.035	20	0		HDADMO
O=C(CCCC[NH+]1CCOCC1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732662060	1075819977	/nfs/dbraw/zinc/81/99/77/1075819977.db2.gz	IDBQCSXYHSESMS-UHFFFAOYSA-N	1	1	415.478	1.167	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CCC(=O)OCC)C2)CC1	ZINC000611060955	1075822015	/nfs/dbraw/zinc/82/20/15/1075822015.db2.gz	VEDJYOUBKXCEMN-KRWDZBQOSA-N	1	1	410.559	1.742	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732676653	1075830629	/nfs/dbraw/zinc/83/06/29/1075830629.db2.gz	VKYLFQXOOVCQEF-GFCCVEGCSA-N	1	1	402.483	1.578	20	0		HDADMO
CC(C)C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cc[nH]n1	ZINC000479643548	1075832699	/nfs/dbraw/zinc/83/26/99/1075832699.db2.gz	LINIJRONRIHFDM-IBGZPJMESA-N	1	1	412.538	1.697	20	0		HDADMO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000509284472	1075835718	/nfs/dbraw/zinc/83/57/18/1075835718.db2.gz	HHFQOKJMYIVLCP-KURKYZTESA-N	1	1	409.571	1.798	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000611090893	1075839710	/nfs/dbraw/zinc/83/97/10/1075839710.db2.gz	QSOFLSKVAMYYRS-OAHLLOKOSA-N	1	1	415.490	1.405	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000611090893	1075839715	/nfs/dbraw/zinc/83/97/15/1075839715.db2.gz	QSOFLSKVAMYYRS-OAHLLOKOSA-N	1	1	415.490	1.405	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCNc2nc3ccccc3s2)C1	ZINC000465951671	1075840989	/nfs/dbraw/zinc/84/09/89/1075840989.db2.gz	NYWDBXZHMCDPTH-CQSZACIVSA-N	1	1	404.540	1.595	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2nnc(Cc3ccccc3F)s2)C1	ZINC000521259733	1075841038	/nfs/dbraw/zinc/84/10/38/1075841038.db2.gz	QCKZCPXJFAOHHQ-CQSZACIVSA-N	1	1	420.514	1.977	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000611097552	1075841950	/nfs/dbraw/zinc/84/19/50/1075841950.db2.gz	HLZIBWQAAAVJQU-KBXCAEBGSA-N	1	1	401.467	1.808	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000611097552	1075841955	/nfs/dbraw/zinc/84/19/55/1075841955.db2.gz	HLZIBWQAAAVJQU-KBXCAEBGSA-N	1	1	401.467	1.808	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1	ZINC000732772326	1075851774	/nfs/dbraw/zinc/85/17/74/1075851774.db2.gz	XDOOBWORDPTWLV-DLENHJPASA-N	1	1	400.523	1.638	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O	ZINC000732777477	1075854520	/nfs/dbraw/zinc/85/45/20/1075854520.db2.gz	OMTAPOGLCIFJEK-UHFFFAOYSA-N	1	1	410.499	1.870	20	0		HDADMO
COc1cccc([C@@H](C)N2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)c1	ZINC000509293479	1075858658	/nfs/dbraw/zinc/85/86/58/1075858658.db2.gz	GXSPDRHBFKHHSQ-GOSISDBHSA-N	1	1	417.554	1.248	20	0		HDADMO
COC1(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000732780980	1075865329	/nfs/dbraw/zinc/86/53/29/1075865329.db2.gz	NYOBZGXBJINSPK-QGZVFWFLSA-N	1	1	424.586	1.687	20	0		HDADMO
COC1(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000732780980	1075865331	/nfs/dbraw/zinc/86/53/31/1075865331.db2.gz	NYOBZGXBJINSPK-QGZVFWFLSA-N	1	1	424.586	1.687	20	0		HDADMO
COc1ccccc1SC[C@H](C)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1	ZINC000509295371	1075865810	/nfs/dbraw/zinc/86/58/10/1075865810.db2.gz	TUBIGDLDFIQADW-MRXNPFEDSA-N	1	1	408.568	1.887	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2)CC1	ZINC000732780706	1075865850	/nfs/dbraw/zinc/86/58/50/1075865850.db2.gz	MGWSQCQNFHZEGJ-KRWDZBQOSA-N	1	1	400.523	1.477	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2)CC1	ZINC000732780706	1075865854	/nfs/dbraw/zinc/86/58/54/1075865854.db2.gz	MGWSQCQNFHZEGJ-KRWDZBQOSA-N	1	1	400.523	1.477	20	0		HDADMO
CCc1ccc([C@]2(CC)NC(=O)N(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1	ZINC000489106320	1075867334	/nfs/dbraw/zinc/86/73/34/1075867334.db2.gz	USEPYQYRNNLZOG-BXYJTDFISA-N	1	1	403.523	1.876	20	0		HDADMO
CCc1ccc([C@]2(CC)NC(=O)N(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1	ZINC000489106320	1075867339	/nfs/dbraw/zinc/86/73/39/1075867339.db2.gz	USEPYQYRNNLZOG-BXYJTDFISA-N	1	1	403.523	1.876	20	0		HDADMO
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000611181036	1075868469	/nfs/dbraw/zinc/86/84/69/1075868469.db2.gz	UVKZPLWIBQSIHH-FQEVSTJZSA-N	1	1	408.587	1.421	20	0		HDADMO
COC(=O)c1ccccc1N(C)C(=O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000611180925	1075868480	/nfs/dbraw/zinc/86/84/80/1075868480.db2.gz	JPCPEKGYMMNPBX-UHFFFAOYSA-N	1	1	416.566	1.926	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000732808927	1075871057	/nfs/dbraw/zinc/87/10/57/1075871057.db2.gz	PAUSHGFHAWWRAY-HXUWFJFHSA-N	1	1	402.514	1.951	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000732808927	1075871064	/nfs/dbraw/zinc/87/10/64/1075871064.db2.gz	PAUSHGFHAWWRAY-HXUWFJFHSA-N	1	1	402.514	1.951	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(C(=O)c2cccs2)CC1	ZINC000732808740	1075871294	/nfs/dbraw/zinc/87/12/94/1075871294.db2.gz	BQLWZKBRRJAXGX-QGZVFWFLSA-N	1	1	418.563	1.509	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(C(=O)c2cccs2)CC1	ZINC000732808740	1075871296	/nfs/dbraw/zinc/87/12/96/1075871296.db2.gz	BQLWZKBRRJAXGX-QGZVFWFLSA-N	1	1	418.563	1.509	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1C(=O)OC(C)(C)C	ZINC000611189664	1075872675	/nfs/dbraw/zinc/87/26/75/1075872675.db2.gz	DPPMWGBGZQWVER-PBHICJAKSA-N	1	1	405.495	1.724	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1C(=O)OC(C)(C)C	ZINC000611189664	1075872678	/nfs/dbraw/zinc/87/26/78/1075872678.db2.gz	DPPMWGBGZQWVER-PBHICJAKSA-N	1	1	405.495	1.724	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1C(=O)OC(C)(C)C	ZINC000611189666	1075872967	/nfs/dbraw/zinc/87/29/67/1075872967.db2.gz	DPPMWGBGZQWVER-WMLDXEAASA-N	1	1	405.495	1.724	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1C(=O)OC(C)(C)C	ZINC000611189666	1075872970	/nfs/dbraw/zinc/87/29/70/1075872970.db2.gz	DPPMWGBGZQWVER-WMLDXEAASA-N	1	1	405.495	1.724	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000732812028	1075873274	/nfs/dbraw/zinc/87/32/74/1075873274.db2.gz	ZZCALDOHXBKSNY-KRWDZBQOSA-N	1	1	402.495	1.041	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000732812028	1075873280	/nfs/dbraw/zinc/87/32/80/1075873280.db2.gz	ZZCALDOHXBKSNY-KRWDZBQOSA-N	1	1	402.495	1.041	20	0		HDADMO
COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1	ZINC000611198582	1075876233	/nfs/dbraw/zinc/87/62/33/1075876233.db2.gz	UNNJEROHFPDUGU-IAGOWNOFSA-N	1	1	409.552	1.428	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(Cc2ccsc2)CC1	ZINC000732808307	1075883109	/nfs/dbraw/zinc/88/31/09/1075883109.db2.gz	DHRUQBZONGMWGS-IBGZPJMESA-N	1	1	404.580	1.869	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(Cc2ccsc2)CC1	ZINC000732808307	1075883116	/nfs/dbraw/zinc/88/31/16/1075883116.db2.gz	DHRUQBZONGMWGS-IBGZPJMESA-N	1	1	404.580	1.869	20	0		HDADMO
C[C@@H](CNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)CN1CC[NH+](C)CC1	ZINC000732838690	1075883229	/nfs/dbraw/zinc/88/32/29/1075883229.db2.gz	JKWDWTBUCHLXPG-AWEZNQCLSA-N	1	1	411.572	1.781	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)CC1=O	ZINC000732839197	1075883364	/nfs/dbraw/zinc/88/33/64/1075883364.db2.gz	SJKGSVXWAUWPPV-GUDVDZBRSA-N	1	1	404.555	1.323	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1	ZINC000732838860	1075883585	/nfs/dbraw/zinc/88/35/85/1075883585.db2.gz	JVOKROPNJFWPCX-UHFFFAOYSA-N	1	1	411.528	1.014	20	0		HDADMO
COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000611244169	1075884887	/nfs/dbraw/zinc/88/48/87/1075884887.db2.gz	GFCXDASOYXCJNP-RBUKOAKNSA-N	1	1	405.495	1.332	20	0		HDADMO
COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000611244170	1075884915	/nfs/dbraw/zinc/88/49/15/1075884915.db2.gz	GFCXDASOYXCJNP-RTBURBONSA-N	1	1	405.495	1.332	20	0		HDADMO
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1	ZINC000611244235	1075885465	/nfs/dbraw/zinc/88/54/65/1075885465.db2.gz	LVOFPSBQRACDQO-APWZRJJASA-N	1	1	415.538	1.754	20	0		HDADMO
COC(=O)[C@@]1(NCCn2nc3ccccn3c2=O)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265919	1075889009	/nfs/dbraw/zinc/88/90/09/1075889009.db2.gz	QXRISPHLGJZOAF-JOCHJYFZSA-N	1	1	409.490	1.293	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)C1	ZINC000611268043	1075889181	/nfs/dbraw/zinc/88/91/81/1075889181.db2.gz	SDHHNOIYNUMIRN-MRXNPFEDSA-N	1	1	411.524	1.292	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)C1	ZINC000611268043	1075889186	/nfs/dbraw/zinc/88/91/86/1075889186.db2.gz	SDHHNOIYNUMIRN-MRXNPFEDSA-N	1	1	411.524	1.292	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1	ZINC000732879751	1075890418	/nfs/dbraw/zinc/89/04/18/1075890418.db2.gz	CUZBLCNDHIYJMO-QGZVFWFLSA-N	1	1	405.543	1.833	20	0		HDADMO
CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)N1CC[NH+](C)CC1	ZINC000732885839	1075892688	/nfs/dbraw/zinc/89/26/88/1075892688.db2.gz	QZNHKFUTDANOGY-CABCVRRESA-N	1	1	407.481	1.063	20	0		HDADMO
Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000732896843	1075899229	/nfs/dbraw/zinc/89/92/29/1075899229.db2.gz	QNOUSYAWKXPTGB-NRFANRHFSA-N	1	1	410.518	1.925	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611323700	1075901170	/nfs/dbraw/zinc/90/11/70/1075901170.db2.gz	UCVXQZZOWBCMJE-UONOGXRCSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611323700	1075901172	/nfs/dbraw/zinc/90/11/72/1075901172.db2.gz	UCVXQZZOWBCMJE-UONOGXRCSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1	ZINC000611327234	1075907531	/nfs/dbraw/zinc/90/75/31/1075907531.db2.gz	PWEZBEMTIBUSEM-IRXDYDNUSA-N	1	1	410.559	1.550	20	0		HDADMO
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CC[NH+]([C@H]2CCOC2)CC1	ZINC000611348584	1075913319	/nfs/dbraw/zinc/91/33/19/1075913319.db2.gz	BFIHDNXTLNAWSC-HNNXBMFYSA-N	1	1	423.535	1.781	20	0		HDADMO
Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000732898109	1075915317	/nfs/dbraw/zinc/91/53/17/1075915317.db2.gz	ZYLAKEMVEBSJMF-NRFANRHFSA-N	1	1	411.502	1.658	20	0		HDADMO
CC(C)OC(=O)N1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000732974153	1075930716	/nfs/dbraw/zinc/93/07/16/1075930716.db2.gz	OLNNCWWTELBFKC-UHFFFAOYSA-N	1	1	402.539	1.930	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000732963370	1075932374	/nfs/dbraw/zinc/93/23/74/1075932374.db2.gz	LDRLREQSTUOJQA-UHFFFAOYSA-N	1	1	407.492	1.758	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC1	ZINC000611437317	1075933474	/nfs/dbraw/zinc/93/34/74/1075933474.db2.gz	HUKSEKATPJWCTR-UHFFFAOYSA-N	1	1	418.538	1.947	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1C	ZINC000611456578	1075938676	/nfs/dbraw/zinc/93/86/76/1075938676.db2.gz	YJSKKGJJTDTEHJ-OAHLLOKOSA-N	1	1	410.540	1.170	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C	ZINC000611457756	1075940359	/nfs/dbraw/zinc/94/03/59/1075940359.db2.gz	HKHBBSNXFOJVRU-AWEZNQCLSA-N	1	1	408.524	1.020	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1	ZINC000733030178	1075946962	/nfs/dbraw/zinc/94/69/62/1075946962.db2.gz	QHVCRJXEROOUOK-UHFFFAOYSA-N	1	1	418.542	1.458	20	0		HDADMO
COC(=O)c1c2c(sc1NC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1)CCCC2	ZINC000611522481	1075951860	/nfs/dbraw/zinc/95/18/60/1075951860.db2.gz	CEJGORLRDLURHY-UHFFFAOYSA-N	1	1	422.551	1.058	20	0		HDADMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733038000	1075961483	/nfs/dbraw/zinc/96/14/83/1075961483.db2.gz	AWBHODJXPYBUCR-LBPRGKRZSA-N	1	1	407.487	1.391	20	0		HDADMO
Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2ccccc2F)[nH]1	ZINC001079304193	1075969157	/nfs/dbraw/zinc/96/91/57/1075969157.db2.gz	XMUKGNDFGYGGFG-FHVBJURUSA-N	1	1	411.481	1.760	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1=O	ZINC000733140731	1075973796	/nfs/dbraw/zinc/97/37/96/1075973796.db2.gz	VFMVNAVUFNJZGE-RBUKOAKNSA-N	1	1	421.563	1.050	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CCOC2=O)CC1=O	ZINC000733143190	1075975357	/nfs/dbraw/zinc/97/53/57/1075975357.db2.gz	BUBNKZRYYSXZKT-JKSUJKDBSA-N	1	1	400.479	1.915	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c2C)no1	ZINC000506774478	1075976926	/nfs/dbraw/zinc/97/69/26/1075976926.db2.gz	HLPOXHZFKFKFAE-UHFFFAOYSA-N	1	1	423.477	1.571	20	0		HDADMO
CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001079860883	1075978437	/nfs/dbraw/zinc/97/84/37/1075978437.db2.gz	CGNBNYCKGITQMK-TZZQWLEDSA-N	1	1	400.523	1.879	20	0		HDADMO
CN1CC[NH+](CCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733125575	1075978585	/nfs/dbraw/zinc/97/85/85/1075978585.db2.gz	ZRTRBQQJDYVQLX-HEHNFIMWSA-N	1	1	407.518	1.606	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)NC)CC1=O	ZINC000733130955	1075979977	/nfs/dbraw/zinc/97/99/77/1075979977.db2.gz	VHGMLGLGMYGSMW-ZFWWWQNUSA-N	1	1	406.914	1.971	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733131723	1075980245	/nfs/dbraw/zinc/98/02/45/1075980245.db2.gz	INHTVKFLSVEZBN-ZHZULCJRSA-N	1	1	421.501	1.179	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080159864	1075983539	/nfs/dbraw/zinc/98/35/39/1075983539.db2.gz	ZJYNAFGTDAYKHY-WKLFKRTGSA-N	1	1	409.530	1.956	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)OC)C1	ZINC001545676747	1075985991	/nfs/dbraw/zinc/98/59/91/1075985991.db2.gz	JCFPYRHWZWNFHO-CVEARBPZSA-N	1	1	406.531	1.130	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2C)no1	ZINC000509138749	1075987006	/nfs/dbraw/zinc/98/70/06/1075987006.db2.gz	MRWSGQWUDAFZBD-IYBDPMFKSA-N	1	1	416.526	1.893	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1	ZINC000733157026	1075990751	/nfs/dbraw/zinc/99/07/51/1075990751.db2.gz	QWXVNEFHUIEDEU-GOSISDBHSA-N	1	1	416.595	1.930	20	0		HDADMO
CC(C)[C@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)N1CC[NH+](C)CC1	ZINC000733157310	1075990792	/nfs/dbraw/zinc/99/07/92/1075990792.db2.gz	ZPSDSVDVKNJWCB-AWEZNQCLSA-N	1	1	408.597	1.684	20	0		HDADMO
CNS(=O)(=O)CCC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000493874305	1075992901	/nfs/dbraw/zinc/99/29/01/1075992901.db2.gz	OCBYSHXTWGNFBU-LBPRGKRZSA-N	1	1	405.446	1.867	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)ccc12	ZINC000733164085	1075997803	/nfs/dbraw/zinc/99/78/03/1075997803.db2.gz	LSCXMPBUIIURTE-UHFFFAOYSA-N	1	1	401.507	1.965	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)N(C)CCN(C)C3CC[NH+](C)CC3)ccc12	ZINC000733164085	1075997804	/nfs/dbraw/zinc/99/78/04/1075997804.db2.gz	LSCXMPBUIIURTE-UHFFFAOYSA-N	1	1	401.507	1.965	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000733170031	1076000475	/nfs/dbraw/zinc/00/04/75/1076000475.db2.gz	IZIMIRSEVODOQQ-CABCVRRESA-N	1	1	408.465	1.540	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000733170769	1076000691	/nfs/dbraw/zinc/00/06/91/1076000691.db2.gz	RYBJYIPRDNTJRI-JEZWAEDTSA-N	1	1	408.568	1.461	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1	ZINC000733170672	1076000904	/nfs/dbraw/zinc/00/09/04/1076000904.db2.gz	PLNVOHYEINAOAK-LXXRFIIISA-N	1	1	414.554	1.709	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)Cn1cc[nH+]c1C	ZINC001081103068	1076002271	/nfs/dbraw/zinc/00/22/71/1076002271.db2.gz	FPLIVJFPWJLZBB-IYWGDAJJSA-N	1	1	400.523	1.702	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)c2nnn(Cc3cc(C)on3)c2C)[C@@H](C)C1	ZINC000512965645	1076004028	/nfs/dbraw/zinc/00/40/28/1076004028.db2.gz	CQKBYHWBVACYQD-KSSFIOAISA-N	1	1	404.515	1.798	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC(N(C)Cc3ccccc3)C2)CC1	ZINC000495357536	1076007393	/nfs/dbraw/zinc/00/73/93/1076007393.db2.gz	HSIPELDAASLJEF-UHFFFAOYSA-N	1	1	401.555	1.455	20	0		HDADMO
COC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1	ZINC000733184909	1076011492	/nfs/dbraw/zinc/01/14/92/1076011492.db2.gz	ZABMRXXMVCVTGD-KNQAVFIVSA-N	1	1	400.523	1.889	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)C[C@H](C)O1	ZINC000514125113	1076017661	/nfs/dbraw/zinc/01/76/61/1076017661.db2.gz	QPKVBZNZRCQHQJ-WSTZPKSXSA-N	1	1	412.534	1.272	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)C[C@H](C)O1	ZINC000514125113	1076017666	/nfs/dbraw/zinc/01/76/66/1076017666.db2.gz	QPKVBZNZRCQHQJ-WSTZPKSXSA-N	1	1	412.534	1.272	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)COc1cccc(C=O)c1	ZINC000733257163	1076018744	/nfs/dbraw/zinc/01/87/44/1076018744.db2.gz	SVHKLEGIQGDVET-UHFFFAOYSA-N	1	1	411.458	1.913	20	0		HDADMO
CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001082192713	1076024431	/nfs/dbraw/zinc/02/44/31/1076024431.db2.gz	VIJMPVHJLZVMGY-UQZKUAJDSA-N	1	1	400.523	1.927	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O	ZINC000733273178	1076026602	/nfs/dbraw/zinc/02/66/02/1076026602.db2.gz	ONSNAGGMBXQCMY-HNNXBMFYSA-N	1	1	405.520	1.988	20	0		HDADMO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12	ZINC000515526962	1076027190	/nfs/dbraw/zinc/02/71/90/1076027190.db2.gz	WXAOUTXLBBAHOX-ZDUSSCGKSA-N	1	1	421.339	1.999	20	0		HDADMO
NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[NH+](C3CCC3)CC2)c1	ZINC000733275181	1076027953	/nfs/dbraw/zinc/02/79/53/1076027953.db2.gz	HMQKIWKKSTWEQY-UHFFFAOYSA-N	1	1	402.314	1.407	20	0		HDADMO
CCC[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)CC1CC1	ZINC000052890977	1076034892	/nfs/dbraw/zinc/03/48/92/1076034892.db2.gz	NNNBFWPCOSXWSG-FQEVSTJZSA-N	1	1	401.507	1.619	20	0		HDADMO
CCC[N@@H+](CN1C(=O)N[C@](C)(COC)C1=O)C1CCN(C(=O)c2ccccc2)CC1	ZINC000733296726	1076041720	/nfs/dbraw/zinc/04/17/20/1076041720.db2.gz	HNZLDWLPEIDHQV-JOCHJYFZSA-N	1	1	416.522	1.918	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)c2)CCO1	ZINC000733342643	1076047013	/nfs/dbraw/zinc/04/70/13/1076047013.db2.gz	GLRUPAHEQYFVBI-MRXNPFEDSA-N	1	1	411.568	1.920	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)c2)CCO1	ZINC000733342643	1076047021	/nfs/dbraw/zinc/04/70/21/1076047021.db2.gz	GLRUPAHEQYFVBI-MRXNPFEDSA-N	1	1	411.568	1.920	20	0		HDADMO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1	ZINC000727136589	1076051320	/nfs/dbraw/zinc/05/13/20/1076051320.db2.gz	YHFQNVFAQNYUGG-ZWKOTPCHSA-N	1	1	410.559	1.692	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1=O	ZINC000733359007	1076051615	/nfs/dbraw/zinc/05/16/15/1076051615.db2.gz	VDIIMNNFWIBVLX-MDZRGWNJSA-N	1	1	419.522	1.186	20	0		HDADMO
CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1	ZINC000053140207	1076054661	/nfs/dbraw/zinc/05/46/61/1076054661.db2.gz	TUQIFOMUKOPFGR-HXUWFJFHSA-N	1	1	402.539	1.455	20	0		HDADMO
C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)C1	ZINC000053525956	1076058283	/nfs/dbraw/zinc/05/82/83/1076058283.db2.gz	FTEDWKDNBWGLGI-OTWHNJEPSA-N	1	1	419.570	1.714	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccco1	ZINC000053525692	1076058412	/nfs/dbraw/zinc/05/84/12/1076058412.db2.gz	UPQLRMOYXYPGRZ-SFHVURJKSA-N	1	1	405.543	1.612	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](CCC(N)=O)C3)cc2)CC1	ZINC000727231686	1076085947	/nfs/dbraw/zinc/08/59/47/1076085947.db2.gz	SAEMVKCOPQGECM-KRWDZBQOSA-N	1	1	415.538	1.271	20	0		HDADMO
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000727232162	1076086684	/nfs/dbraw/zinc/08/66/84/1076086684.db2.gz	YVYDPHLPHAWTPN-LBPRGKRZSA-N	1	1	401.435	1.318	20	0		HDADMO
C[NH+](C)CCN(C(=S)Nc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1	ZINC000727274620	1076091375	/nfs/dbraw/zinc/09/13/75/1076091375.db2.gz	JESSXZLYVUUKDF-HNNXBMFYSA-N	1	1	413.565	1.595	20	0		HDADMO
O=C(COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1	ZINC000733530356	1076095205	/nfs/dbraw/zinc/09/52/05/1076095205.db2.gz	IAWBARWXCCHBDS-GOSISDBHSA-N	1	1	400.397	1.843	20	0		HDADMO
CCS(=O)(=O)NCCOC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000733532699	1076096201	/nfs/dbraw/zinc/09/62/01/1076096201.db2.gz	XKWWFNIDUBXRQM-INIZCTEOSA-N	1	1	408.442	1.924	20	0		HDADMO
COC(=O)NCCC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1	ZINC000733545491	1076107599	/nfs/dbraw/zinc/10/75/99/1076107599.db2.gz	YOAPGIDQFQOCRR-UHFFFAOYSA-N	1	1	407.467	1.019	20	0		HDADMO
C[C@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000733586994	1076116358	/nfs/dbraw/zinc/11/63/58/1076116358.db2.gz	BJGVJEHCCKWOKJ-GOEBONIOSA-N	1	1	420.487	1.619	20	0		HDADMO
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000733587853	1076117893	/nfs/dbraw/zinc/11/78/93/1076117893.db2.gz	MKGAYTAFLUXHRJ-UHFFFAOYSA-N	1	1	406.460	1.184	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	ZINC000733666046	1076146915	/nfs/dbraw/zinc/14/69/15/1076146915.db2.gz	OJGRIHVNHQEIAY-AWEZNQCLSA-N	1	1	418.885	1.223	20	0		HDADMO
O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N1CC[NH+](C2CCC2)CC1	ZINC000733668657	1076150515	/nfs/dbraw/zinc/15/05/15/1076150515.db2.gz	JVBJEACZDSAKDL-UHFFFAOYSA-N	1	1	424.295	1.856	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)cc2)C[C@@H](C)O1	ZINC000733669660	1076152000	/nfs/dbraw/zinc/15/20/00/1076152000.db2.gz	RIDNVSPWDIDWHX-IAGOWNOFSA-N	1	1	400.523	1.935	20	0		HDADMO
CO[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C(F)(F)F	ZINC000733674422	1076156047	/nfs/dbraw/zinc/15/60/47/1076156047.db2.gz	NNGHRROBSJUPMJ-HNNXBMFYSA-N	1	1	403.401	1.193	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1	ZINC000526047391	1076171245	/nfs/dbraw/zinc/17/12/45/1076171245.db2.gz	XYDYPYMMZPZZDP-SFHVURJKSA-N	1	1	400.504	1.551	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCc2oncc2C1	ZINC001545676867	1076213629	/nfs/dbraw/zinc/21/36/29/1076213629.db2.gz	LWMPTYUCYZZDHH-HNNXBMFYSA-N	1	1	401.515	1.682	20	0		HDADMO
CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1	ZINC000733795264	1076215308	/nfs/dbraw/zinc/21/53/08/1076215308.db2.gz	WFRNYACZTVPIIL-GOSISDBHSA-N	1	1	418.538	1.899	20	0		HDADMO
CCOC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1	ZINC000733797157	1076216559	/nfs/dbraw/zinc/21/65/59/1076216559.db2.gz	REFGYXMGGRLCRI-INIZCTEOSA-N	1	1	422.551	1.844	20	0		HDADMO
CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1	ZINC000733797157	1076216560	/nfs/dbraw/zinc/21/65/60/1076216560.db2.gz	REFGYXMGGRLCRI-INIZCTEOSA-N	1	1	422.551	1.844	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)c1ccco1	ZINC000727765091	1076219105	/nfs/dbraw/zinc/21/91/05/1076219105.db2.gz	FNBGPSQZIAZYLO-SQNIBIBYSA-N	1	1	401.463	1.771	20	0		HDADMO
C[NH+]1CCN([C@@H](C(=O)OCCN2C(=O)c3ccccc3C2=O)c2ccccc2)CC1	ZINC000727748425	1076223418	/nfs/dbraw/zinc/22/34/18/1076223418.db2.gz	RINCZDGRNGRTIX-HXUWFJFHSA-N	1	1	407.470	1.815	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccccc1Cl	ZINC000727752529	1076225547	/nfs/dbraw/zinc/22/55/47/1076225547.db2.gz	QNBUAJPOZHFRHY-WBVHZDCISA-N	1	1	408.911	1.789	20	0		HDADMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727756367	1076229924	/nfs/dbraw/zinc/22/99/24/1076229924.db2.gz	YHRVEZZTVLVIDD-IBGZPJMESA-N	1	1	402.520	1.873	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)n1C	ZINC000733878915	1076237374	/nfs/dbraw/zinc/23/73/74/1076237374.db2.gz	QBEMEABKSHVEMF-UHFFFAOYSA-N	1	1	423.514	1.730	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H](c3ccco3)[NH+](C)C)C2)no1	ZINC000533132904	1076241596	/nfs/dbraw/zinc/24/15/96/1076241596.db2.gz	LHCSOBCNFBMHKJ-JKSUJKDBSA-N	1	1	418.498	1.660	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1	ZINC000533358313	1076243128	/nfs/dbraw/zinc/24/31/28/1076243128.db2.gz	ZABAZRVBXZHVBP-NSHGMRRFSA-N	1	1	415.538	1.324	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)no1	ZINC000533584718	1076243658	/nfs/dbraw/zinc/24/36/58/1076243658.db2.gz	QRIBOGPEWNBNCB-ZWKOTPCHSA-N	1	1	419.526	1.225	20	0		HDADMO
O=C(CN1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1)N1CCCC1	ZINC000032771296	1076244157	/nfs/dbraw/zinc/24/41/57/1076244157.db2.gz	SVNUUCQHAJHCRJ-IRLDBZIGSA-N	1	1	401.551	1.682	20	0		HDADMO
O=C(CN1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1)N1CCCC1	ZINC000032771299	1076244194	/nfs/dbraw/zinc/24/41/94/1076244194.db2.gz	SVNUUCQHAJHCRJ-UNMCSNQZSA-N	1	1	401.551	1.682	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H](C)Cn3cc[nH+]c3C)C2)no1	ZINC000533613426	1076244428	/nfs/dbraw/zinc/24/44/28/1076244428.db2.gz	XBIZBBKWMVKPHV-RHSMWYFYSA-N	1	1	417.514	1.606	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)C1	ZINC000533831053	1076245634	/nfs/dbraw/zinc/24/56/34/1076245634.db2.gz	KBPCGWHWXNXVRS-RBBKRZOGSA-N	1	1	418.497	1.765	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)C1	ZINC000533831053	1076245638	/nfs/dbraw/zinc/24/56/38/1076245638.db2.gz	KBPCGWHWXNXVRS-RBBKRZOGSA-N	1	1	418.497	1.765	20	0		HDADMO
CCN(C1CC1)S(=O)(=O)c1c(C)nn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C	ZINC000534383957	1076247637	/nfs/dbraw/zinc/24/76/37/1076247637.db2.gz	DFMQGOZKBVFTCE-SUNYJGFJSA-N	1	1	414.572	1.143	20	0		HDADMO
C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000534560468	1076248720	/nfs/dbraw/zinc/24/87/20/1076248720.db2.gz	ZASFPOOKTZQZBP-RXVVDRJESA-N	1	1	413.566	1.901	20	0		HDADMO
C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000534560468	1076248725	/nfs/dbraw/zinc/24/87/25/1076248725.db2.gz	ZASFPOOKTZQZBP-RXVVDRJESA-N	1	1	413.566	1.901	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000534569541	1076249190	/nfs/dbraw/zinc/24/91/90/1076249190.db2.gz	MKHZXMOPKQMYRJ-IBGZPJMESA-N	1	1	418.519	1.920	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000534569541	1076249192	/nfs/dbraw/zinc/24/91/92/1076249192.db2.gz	MKHZXMOPKQMYRJ-IBGZPJMESA-N	1	1	418.519	1.920	20	0		HDADMO
C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1	ZINC000733888544	1076250220	/nfs/dbraw/zinc/25/02/20/1076250220.db2.gz	GEZDXAJBCYUPKK-IIBYNOLFSA-N	1	1	417.531	1.872	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000535263523	1076250388	/nfs/dbraw/zinc/25/03/88/1076250388.db2.gz	ABFAIEXIQDZOSK-LPHOPBHVSA-N	1	1	420.521	1.827	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000535263523	1076250396	/nfs/dbraw/zinc/25/03/96/1076250396.db2.gz	ABFAIEXIQDZOSK-LPHOPBHVSA-N	1	1	420.521	1.827	20	0		HDADMO
Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535281501	1076252288	/nfs/dbraw/zinc/25/22/88/1076252288.db2.gz	PVHOBQDLNQDUMC-GOSISDBHSA-N	1	1	417.477	1.167	20	0		HDADMO
Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000535281501	1076252292	/nfs/dbraw/zinc/25/22/92/1076252292.db2.gz	PVHOBQDLNQDUMC-GOSISDBHSA-N	1	1	417.477	1.167	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1	ZINC000536028087	1076253937	/nfs/dbraw/zinc/25/39/37/1076253937.db2.gz	RIOCLZVJHNYFIR-PGRDOPGGSA-N	1	1	407.474	1.727	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1	ZINC000536028087	1076253939	/nfs/dbraw/zinc/25/39/39/1076253939.db2.gz	RIOCLZVJHNYFIR-PGRDOPGGSA-N	1	1	407.474	1.727	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1	ZINC000536033971	1076254324	/nfs/dbraw/zinc/25/43/24/1076254324.db2.gz	BDRDGUSCTLRFLL-LJQANCHMSA-N	1	1	401.488	1.298	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1	ZINC000536033971	1076254329	/nfs/dbraw/zinc/25/43/29/1076254329.db2.gz	BDRDGUSCTLRFLL-LJQANCHMSA-N	1	1	401.488	1.298	20	0		HDADMO
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000536037243	1076254816	/nfs/dbraw/zinc/25/48/16/1076254816.db2.gz	VDUKZPPUPAFCTJ-IBGZPJMESA-N	1	1	411.506	1.563	20	0		HDADMO
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000536037243	1076254823	/nfs/dbraw/zinc/25/48/23/1076254823.db2.gz	VDUKZPPUPAFCTJ-IBGZPJMESA-N	1	1	411.506	1.563	20	0		HDADMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@H](C)O1	ZINC000536859613	1076256881	/nfs/dbraw/zinc/25/68/81/1076256881.db2.gz	UDNPAIKZPFOSQZ-RYUDHWBXSA-N	1	1	403.932	1.605	20	0		HDADMO
O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000727802411	1076259053	/nfs/dbraw/zinc/25/90/53/1076259053.db2.gz	SRDAXJZWPNYABC-CABCVRRESA-N	1	1	407.433	1.863	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2csc3cncn32)cc1	ZINC000733931889	1076268812	/nfs/dbraw/zinc/26/88/12/1076268812.db2.gz	JSEAGTCLPGAZKI-UHFFFAOYSA-N	1	1	412.519	1.858	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733976376	1076280820	/nfs/dbraw/zinc/28/08/20/1076280820.db2.gz	BPMAHPXERCLNOW-PYCFMQQDSA-N	1	1	421.545	1.996	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733976376	1076280829	/nfs/dbraw/zinc/28/08/29/1076280829.db2.gz	BPMAHPXERCLNOW-PYCFMQQDSA-N	1	1	421.545	1.996	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733976376	1076280838	/nfs/dbraw/zinc/28/08/38/1076280838.db2.gz	BPMAHPXERCLNOW-PYCFMQQDSA-N	1	1	421.545	1.996	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc(OC3CCCC3)cc2)C1	ZINC000728060966	1076314676	/nfs/dbraw/zinc/31/46/76/1076314676.db2.gz	XQFWWSDTVSMCPZ-INIZCTEOSA-N	1	1	409.552	1.874	20	0		HDADMO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)c1	ZINC000728053441	1076321281	/nfs/dbraw/zinc/32/12/81/1076321281.db2.gz	KGJPQYFPOWRLQF-ZFWWWQNUSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)c1	ZINC000728053441	1076321283	/nfs/dbraw/zinc/32/12/83/1076321283.db2.gz	KGJPQYFPOWRLQF-ZFWWWQNUSA-N	1	1	420.462	1.672	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1	ZINC000728072213	1076333033	/nfs/dbraw/zinc/33/30/33/1076333033.db2.gz	ABXBAZWFVZJNHZ-INIZCTEOSA-N	1	1	419.526	1.973	20	0		HDADMO
COc1ccccc1[C@@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)[NH+](C)C	ZINC000027101285	1076358314	/nfs/dbraw/zinc/35/83/14/1076358314.db2.gz	SSRBECBFTUHKKP-GOSISDBHSA-N	1	1	410.474	1.508	20	0		HDADMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)C[C@@H](C)O1	ZINC000543691354	1076413132	/nfs/dbraw/zinc/41/31/32/1076413132.db2.gz	BONBOXPUVHBMQO-QZTJIDSGSA-N	1	1	404.555	1.879	20	0		HDADMO
C[C@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000730053403	1076427973	/nfs/dbraw/zinc/42/79/73/1076427973.db2.gz	GRGFCAJHSIOYEW-FXAWDEMLSA-N	1	1	421.497	1.965	20	0		HDADMO
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1F	ZINC000730083056	1076432429	/nfs/dbraw/zinc/43/24/29/1076432429.db2.gz	XABGKZZIIRHXIZ-UHFFFAOYSA-N	1	1	415.531	1.431	20	0		HDADMO
O=C(c1cn(-c2ccccc2Br)nn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000730087603	1076441302	/nfs/dbraw/zinc/44/13/02/1076441302.db2.gz	WNGWOCJSVZTTTH-IRXDYDNUSA-N	1	1	420.311	1.701	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3c[nH+]ccc3-n3cccn3)C2=O)cc1	ZINC000730088608	1076442842	/nfs/dbraw/zinc/44/28/42/1076442842.db2.gz	HOAVIUSBCFUKEZ-NRFANRHFSA-N	1	1	420.429	1.682	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000730159294	1076466833	/nfs/dbraw/zinc/46/68/33/1076466833.db2.gz	VSDCCBYZEGKBHN-INIZCTEOSA-N	1	1	400.589	1.820	20	0		HDADMO
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000730218266	1076480428	/nfs/dbraw/zinc/48/04/28/1076480428.db2.gz	HGHLERYSZOQZFM-IRXDYDNUSA-N	1	1	408.543	1.717	20	0		HDADMO
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000730218264	1076480575	/nfs/dbraw/zinc/48/05/75/1076480575.db2.gz	HGHLERYSZOQZFM-IAGOWNOFSA-N	1	1	408.543	1.717	20	0		HDADMO
COC(=O)CC1CC[NH+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000730253553	1076499519	/nfs/dbraw/zinc/49/95/19/1076499519.db2.gz	RNCSDSJSGWBWLK-NRFANRHFSA-N	1	1	403.479	1.781	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1	ZINC000730255500	1076500339	/nfs/dbraw/zinc/50/03/39/1076500339.db2.gz	YBANZKVYMNTUBX-IERDGZPVSA-N	1	1	402.495	1.483	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[N@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1	ZINC000730255500	1076500343	/nfs/dbraw/zinc/50/03/43/1076500343.db2.gz	YBANZKVYMNTUBX-IERDGZPVSA-N	1	1	402.495	1.483	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCC(=O)N1CCOc2ccccc21	ZINC000730283317	1076512786	/nfs/dbraw/zinc/51/27/86/1076512786.db2.gz	WEAXMAKDHLMOSO-SFHVURJKSA-N	1	1	416.522	1.251	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000730277667	1076519669	/nfs/dbraw/zinc/51/96/69/1076519669.db2.gz	UZJCIYYLMHWCIW-MRXNPFEDSA-N	1	1	401.511	1.134	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1	ZINC000730575199	1076607536	/nfs/dbraw/zinc/60/75/36/1076607536.db2.gz	NYCNOBYKJVYAQZ-CYBMUJFWSA-N	1	1	417.988	1.840	20	0		HDADMO
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1)O[C@@H](C)C2	ZINC000730585509	1076608836	/nfs/dbraw/zinc/60/88/36/1076608836.db2.gz	GUNFXWCJLVIKSC-QANKJYHBSA-N	1	1	401.507	1.578	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1	ZINC000730592794	1076610521	/nfs/dbraw/zinc/61/05/21/1076610521.db2.gz	ANBGIGWDLHYBTA-CQSZACIVSA-N	1	1	414.959	1.230	20	0		HDADMO
C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1	ZINC000730669580	1076634515	/nfs/dbraw/zinc/63/45/15/1076634515.db2.gz	BHUKQDVZRQJGJG-MRXNPFEDSA-N	1	1	408.518	1.869	20	0		HDADMO
Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C2=O)c1	ZINC000730774134	1076650237	/nfs/dbraw/zinc/65/02/37/1076650237.db2.gz	VBAGBIMTXILYSV-OKZBNKHCSA-N	1	1	400.479	1.179	20	0		HDADMO
CN(C[C@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000730803539	1076655201	/nfs/dbraw/zinc/65/52/01/1076655201.db2.gz	JZHKACOUPXXKNM-KNQAVFIVSA-N	1	1	400.523	1.889	20	0		HDADMO
C[N@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O	ZINC000730803824	1076657872	/nfs/dbraw/zinc/65/78/72/1076657872.db2.gz	OWWOZKYUAOYSON-BTYIYWSLSA-N	1	1	416.478	1.726	20	0		HDADMO
C[N@@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O	ZINC000730803824	1076657877	/nfs/dbraw/zinc/65/78/77/1076657877.db2.gz	OWWOZKYUAOYSON-BTYIYWSLSA-N	1	1	416.478	1.726	20	0		HDADMO
CN(CC[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1	ZINC000730808240	1076665397	/nfs/dbraw/zinc/66/53/97/1076665397.db2.gz	FJIHBQLUWWSZRM-UHFFFAOYSA-N	1	1	401.511	1.731	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1	ZINC000730842387	1076671045	/nfs/dbraw/zinc/67/10/45/1076671045.db2.gz	YOLFLIJNFPGZLU-HNNXBMFYSA-N	1	1	405.524	1.469	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1=O	ZINC000730841775	1076671619	/nfs/dbraw/zinc/67/16/19/1076671619.db2.gz	MPODXQZMDYOCBV-RCCFBDPRSA-N	1	1	422.570	1.835	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1	ZINC000730935599	1076696080	/nfs/dbraw/zinc/69/60/80/1076696080.db2.gz	DUZZKKJOSAFUBO-KRWDZBQOSA-N	1	1	408.568	1.877	20	0		HDADMO
COC(=O)N[C@H](C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(C)C	ZINC000731002844	1076708080	/nfs/dbraw/zinc/70/80/80/1076708080.db2.gz	SZRIGGQLIALHIH-HNNXBMFYSA-N	1	1	400.520	1.426	20	0		HDADMO
CCOC(=O)N[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)C	ZINC000731008883	1076710087	/nfs/dbraw/zinc/71/00/87/1076710087.db2.gz	VTBWQTDHPCSAHI-MOPGFXCFSA-N	1	1	418.538	1.771	20	0		HDADMO
CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1Cl	ZINC000731019915	1076712381	/nfs/dbraw/zinc/71/23/81/1076712381.db2.gz	MDNWXGCLJLBXDZ-CQSZACIVSA-N	1	1	401.916	1.736	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(C(N)=S)cc3)c2)C1	ZINC000731059403	1076720444	/nfs/dbraw/zinc/72/04/44/1076720444.db2.gz	VIFMQUZCIVRDJZ-IBGZPJMESA-N	1	1	410.543	1.948	20	0		HDADMO
COCCOC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000731134353	1076737104	/nfs/dbraw/zinc/73/71/04/1076737104.db2.gz	IOSQJASKEAUDGM-QGZVFWFLSA-N	1	1	404.467	1.421	20	0		HDADMO
Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nnn1-c1ccc(OC(F)F)cc1	ZINC000731188700	1076742064	/nfs/dbraw/zinc/74/20/64/1076742064.db2.gz	JFJSCEHKNXKMKE-ZBFHGGJFSA-N	1	1	407.421	1.770	20	0		HDADMO
CCOC(=O)N1CCC(C(=O)N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)CC1	ZINC000731179475	1076745181	/nfs/dbraw/zinc/74/51/81/1076745181.db2.gz	IWGJPPUXFKJNMH-UHFFFAOYSA-N	1	1	422.570	1.648	20	0		HDADMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1	ZINC000731224272	1076755964	/nfs/dbraw/zinc/75/59/64/1076755964.db2.gz	ZKMLWDNCCUBRDD-GOSISDBHSA-N	1	1	417.620	1.555	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccccc3C=O)CC2)CC1	ZINC000731216818	1076765706	/nfs/dbraw/zinc/76/57/06/1076765706.db2.gz	RXVOZHPZQKRZEH-UHFFFAOYSA-N	1	1	407.536	1.454	20	0		HDADMO
CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3C[C@@H](C2)[C@H](C(=O)OCC)[NH2+]3)nc1Cl	ZINC001164450518	719003730	/nfs/dbraw/zinc/00/37/30/719003730.db2.gz	XSKGUVOOPYLSTC-HOSYDEDBSA-N	1	1	418.828	1.581	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)CC4CC4)C3)n2)CC1	ZINC001164656664	719326308	/nfs/dbraw/zinc/32/63/08/719326308.db2.gz	ZVFIDDJUBJHFJO-BBTUJRGHSA-N	1	1	414.554	1.129	20	0		HDADMO
COCCOc1cc2ncnc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2cc1OCCOC	ZINC001164667990	719378436	/nfs/dbraw/zinc/37/84/36/719378436.db2.gz	MJHCFTFFZQXMKX-YLJYHZDGSA-N	1	1	418.494	1.199	20	0		HDADMO
C[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)C[C@@H]21	ZINC001164668129	719460995	/nfs/dbraw/zinc/46/09/95/719460995.db2.gz	OAVFXLQHRJPUKR-IRXDYDNUSA-N	1	1	410.446	1.680	20	0		HDADMO
CCOC(=O)c1cnc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)cc1OCC	ZINC001164686791	719717881	/nfs/dbraw/zinc/71/78/81/719717881.db2.gz	SRTQRVJJOGWFBO-UHFFFAOYSA-N	1	1	404.511	1.838	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)CC2	ZINC001164685483	719718435	/nfs/dbraw/zinc/71/84/35/719718435.db2.gz	LONGMMPJXXPNST-UHFFFAOYSA-N	1	1	415.494	1.539	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2	ZINC001164690314	719740132	/nfs/dbraw/zinc/74/01/32/719740132.db2.gz	ZNTAFDKVBKAUPA-UHFFFAOYSA-N	1	1	421.567	1.047	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2	ZINC001164690031	719750166	/nfs/dbraw/zinc/75/01/66/719750166.db2.gz	PYHWMCZZYFNOBH-UHFFFAOYSA-N	1	1	410.309	1.907	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ccn2C	ZINC001164698087	719849018	/nfs/dbraw/zinc/84/90/18/719849018.db2.gz	FDKFUJCKVWTNLB-YJYMSZOUSA-N	1	1	407.902	1.854	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2	ZINC001164815378	720067892	/nfs/dbraw/zinc/06/78/92/720067892.db2.gz	YWKBDKJPCXRBPU-KDOFPFPSSA-N	1	1	414.959	1.718	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)C2	ZINC001164819774	720158776	/nfs/dbraw/zinc/15/87/76/720158776.db2.gz	YBXKESYFSSRVRJ-JTSKRJEESA-N	1	1	413.522	1.940	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)C2	ZINC001164819927	720172074	/nfs/dbraw/zinc/17/20/74/720172074.db2.gz	YYJBGRDJLAPVSM-LAUBAEHRSA-N	1	1	420.579	1.707	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccnc(N3CCN(C)CC3)n1)C2	ZINC001164817145	720185101	/nfs/dbraw/zinc/18/51/01/720185101.db2.gz	OGEBOMZIMLDDPH-SIKLNZKXSA-N	1	1	400.571	1.413	20	0		HDADMO
CCOC(=O)c1cncnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164815277	720209434	/nfs/dbraw/zinc/20/94/34/720209434.db2.gz	YCXCWQUIPPASBM-UHFFFAOYSA-N	1	1	400.483	1.461	20	0		HDADMO
CCOC(=O)c1cc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)ncc1Cl	ZINC001164720369	720219133	/nfs/dbraw/zinc/21/91/33/720219133.db2.gz	ZMJUAAFMWVKAAF-HXUWFJFHSA-N	1	1	424.929	1.577	20	0		HDADMO
CCOC(=O)c1cc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ncc1Cl	ZINC001164720369	720219139	/nfs/dbraw/zinc/21/91/39/720219139.db2.gz	ZMJUAAFMWVKAAF-HXUWFJFHSA-N	1	1	424.929	1.577	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(C(=O)OC)c[nH]c4n3)C2)C1	ZINC001164720468	720234866	/nfs/dbraw/zinc/23/48/66/720234866.db2.gz	WPDHCPQKFISPPG-NRFANRHFSA-N	1	1	415.494	1.014	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(C(=O)OC)c[nH]c4n3)C2)C1	ZINC001164720468	720234879	/nfs/dbraw/zinc/23/48/79/720234879.db2.gz	WPDHCPQKFISPPG-NRFANRHFSA-N	1	1	415.494	1.014	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4cc(Cl)ncc43)C2)C1	ZINC001164720423	720235888	/nfs/dbraw/zinc/23/58/88/720235888.db2.gz	VOYQFURISWZFFH-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4cc(Cl)ncc43)C2)C1	ZINC001164720423	720235893	/nfs/dbraw/zinc/23/58/93/720235893.db2.gz	VOYQFURISWZFFH-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(NC(=O)C(C)(C)C)nn3)C2)C1	ZINC001164720058	720247707	/nfs/dbraw/zinc/24/77/07/720247707.db2.gz	QVXPJXZRFFJQSF-OAQYLSRUSA-N	1	1	418.542	1.126	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(NC(=O)C(C)(C)C)nn3)C2)C1	ZINC001164720058	720247722	/nfs/dbraw/zinc/24/77/22/720247722.db2.gz	QVXPJXZRFFJQSF-OAQYLSRUSA-N	1	1	418.542	1.126	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccccn4)n3)C2)C1	ZINC001164722799	720282505	/nfs/dbraw/zinc/28/25/05/720282505.db2.gz	RZTNERPWOPJJHO-JOCHJYFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccccn4)n3)C2)C1	ZINC001164722799	720282519	/nfs/dbraw/zinc/28/25/19/720282519.db2.gz	RZTNERPWOPJJHO-JOCHJYFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccnc(Cc4ccccc4)n3)C2)C1	ZINC001164721578	720295134	/nfs/dbraw/zinc/29/51/34/720295134.db2.gz	LIDVNFSTGMUMDP-HSZRJFAPSA-N	1	1	409.534	1.732	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccnc(Cc4ccccc4)n3)C2)C1	ZINC001164721578	720295140	/nfs/dbraw/zinc/29/51/40/720295140.db2.gz	LIDVNFSTGMUMDP-HSZRJFAPSA-N	1	1	409.534	1.732	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc(C)c3C)C2)C1	ZINC001164720974	720296305	/nfs/dbraw/zinc/29/63/05/720296305.db2.gz	GNCVZPHBVGSHNA-HSZRJFAPSA-N	1	1	424.549	1.820	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc(C)c3C)C2)C1	ZINC001164720974	720296311	/nfs/dbraw/zinc/29/63/11/720296311.db2.gz	GNCVZPHBVGSHNA-HSZRJFAPSA-N	1	1	424.549	1.820	20	0		HDADMO
CCc1nc2sccc2c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1	ZINC001164722323	720301202	/nfs/dbraw/zinc/30/12/02/720301202.db2.gz	PWFXTKHXEPDOLD-FQEVSTJZSA-N	1	1	403.552	1.919	20	0		HDADMO
CCc1nc2sccc2c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1	ZINC001164722323	720301208	/nfs/dbraw/zinc/30/12/08/720301208.db2.gz	PWFXTKHXEPDOLD-FQEVSTJZSA-N	1	1	403.552	1.919	20	0		HDADMO
CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164732861	720429332	/nfs/dbraw/zinc/42/93/32/720429332.db2.gz	ORGCRZYOQXVKEW-WWTSWKCXSA-N	1	1	415.519	1.639	20	0		HDADMO
CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732861	720429334	/nfs/dbraw/zinc/42/93/34/720429334.db2.gz	ORGCRZYOQXVKEW-WWTSWKCXSA-N	1	1	415.519	1.639	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164739571	720617332	/nfs/dbraw/zinc/61/73/32/720617332.db2.gz	GADVFCLUGOQXNV-VXGBXAGGSA-N	1	1	424.839	1.511	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164739571	720617349	/nfs/dbraw/zinc/61/73/49/720617349.db2.gz	GADVFCLUGOQXNV-VXGBXAGGSA-N	1	1	424.839	1.511	20	0		HDADMO
COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncc2c1	ZINC001164738723	720637969	/nfs/dbraw/zinc/63/79/69/720637969.db2.gz	DEWPYJMRZDNWAM-IRXDYDNUSA-N	1	1	406.446	1.548	20	0		HDADMO
COc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC	ZINC001164743644	720645098	/nfs/dbraw/zinc/64/50/98/720645098.db2.gz	PXEWSKUNXAWTQI-CABCVRRESA-N	1	1	408.462	1.779	20	0		HDADMO
Clc1cc(C2CC[NH2+]CC2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164739620	720663176	/nfs/dbraw/zinc/66/31/76/720663176.db2.gz	OHGYRCVMOBFEPT-CVEARBPZSA-N	1	1	415.929	1.729	20	0		HDADMO
COc1cc2ncc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC	ZINC001164736963	720687776	/nfs/dbraw/zinc/68/77/76/720687776.db2.gz	COMOHMKEFGERSJ-HUUCEWRRSA-N	1	1	408.462	1.779	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164736664	720696675	/nfs/dbraw/zinc/69/66/75/720696675.db2.gz	AHNHTPDVGVVWDA-IAGOWNOFSA-N	1	1	420.473	1.938	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)[nH]c-2n1	ZINC001164746297	720732082	/nfs/dbraw/zinc/73/20/82/720732082.db2.gz	XCMFKHARPJNPJW-HOTGVXAUSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2[nH]1	ZINC001164746297	720732088	/nfs/dbraw/zinc/73/20/88/720732088.db2.gz	XCMFKHARPJNPJW-HOTGVXAUSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2[nH]1	ZINC001164746297	720732098	/nfs/dbraw/zinc/73/20/98/720732098.db2.gz	XCMFKHARPJNPJW-HOTGVXAUSA-N	1	1	408.462	1.872	20	0		HDADMO
C[C@@H]1CCCN1C(=O)c1nn(-c2cccc(N3CCN(C)CC3)n2)c2c1C[NH2+]CC2	ZINC001164844623	720805511	/nfs/dbraw/zinc/80/55/11/720805511.db2.gz	CGAZRNKTQQSVDU-MRXNPFEDSA-N	1	1	409.538	1.289	20	0		HDADMO
Clc1nc2nc[nH]c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164750074	720811153	/nfs/dbraw/zinc/81/11/53/720811153.db2.gz	VCLWEKQXYVENHY-RRFJBIMHSA-N	1	1	413.917	1.977	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740186	720822629	/nfs/dbraw/zinc/82/26/29/720822629.db2.gz	JKVUFNWQOHUAMM-IJEWVQPXSA-N	1	1	416.917	1.200	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164741423	720831930	/nfs/dbraw/zinc/83/19/30/720831930.db2.gz	FHGCZOOYEOITMM-HLAWJBBLSA-N	1	1	421.549	1.945	20	0		HDADMO
Clc1[n-][nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncnc1-2	ZINC001164745752	720836630	/nfs/dbraw/zinc/83/66/30/720836630.db2.gz	NEKJRCYXVGEYCX-RRFJBIMHSA-N	1	1	413.917	1.977	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4ccc(C(=O)OC)cc43)CC[C@@H]2C1	ZINC001164848589	720839260	/nfs/dbraw/zinc/83/92/60/720839260.db2.gz	ANRUPDNDEIYISY-APWZRJJASA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc5c(cc43)OCCO5)CC[C@H]2C1	ZINC001164851824	720841134	/nfs/dbraw/zinc/84/11/34/720841134.db2.gz	IAMLBSUOYUMOSC-MGPUTAFESA-N	1	1	400.479	1.575	20	0		HDADMO
COCCOc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164739534	720849085	/nfs/dbraw/zinc/84/90/85/720849085.db2.gz	AZMRBCPOUHJIJZ-CEXWTWQISA-N	1	1	413.526	1.473	20	0		HDADMO
CCOC(=O)c1cc2ccnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c2[nH]1	ZINC001164849628	720849535	/nfs/dbraw/zinc/84/95/35/720849535.db2.gz	CBDMKMFNUOQPAR-WMZOPIPTSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cc1OCC	ZINC001164856906	720853580	/nfs/dbraw/zinc/85/35/80/720853580.db2.gz	PWOGHEBDNSQGFT-QFBILLFUSA-N	1	1	407.511	1.831	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)[nH]c-2n1	ZINC001164853602	720866456	/nfs/dbraw/zinc/86/64/56/720866456.db2.gz	HVACNGXTFIMSSI-WMZOPIPTSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)nc2[nH]1	ZINC001164853602	720866457	/nfs/dbraw/zinc/86/64/57/720866457.db2.gz	HVACNGXTFIMSSI-WMZOPIPTSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)nc2[nH]1	ZINC001164853602	720866458	/nfs/dbraw/zinc/86/64/58/720866458.db2.gz	HVACNGXTFIMSSI-WMZOPIPTSA-N	1	1	402.495	1.913	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)Nc3cc(C)on3)CC[C@H]2C1	ZINC001164856767	720873613	/nfs/dbraw/zinc/87/36/13/720873613.db2.gz	JDXGYWUUJRLBRP-WMZOPIPTSA-N	1	1	415.494	1.804	20	0		HDADMO
NC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164753303	720876334	/nfs/dbraw/zinc/87/63/34/720876334.db2.gz	OTIOZPQQWZATCE-WMZHIEFXSA-N	1	1	422.533	1.726	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@@H]2C1	ZINC001164859197	720877320	/nfs/dbraw/zinc/87/73/20/720877320.db2.gz	LYLKBAFAGOHVBQ-VXGBXAGGSA-N	1	1	416.860	1.676	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CC[C@@H]2C1	ZINC001164864623	720883534	/nfs/dbraw/zinc/88/35/34/720883534.db2.gz	WDYWXIAJHDCAMU-MJGOQNOKSA-N	1	1	424.567	1.040	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(N3CCOCC3)n1)[C@H]2C	ZINC001164856138	720939493	/nfs/dbraw/zinc/93/94/93/720939493.db2.gz	AZHQNGNVLDLZMD-AWEZNQCLSA-N	1	1	420.949	1.980	20	0		HDADMO
NC(=O)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867794	721065952	/nfs/dbraw/zinc/06/59/52/721065952.db2.gz	KLRXDRHIOBFZEF-KGLIPLIRSA-N	1	1	405.861	1.848	20	0		HDADMO
COC(=O)Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866864	721072625	/nfs/dbraw/zinc/07/26/25/721072625.db2.gz	GJOSQVVIAXXTFC-HZPDHXFCSA-N	1	1	417.897	1.720	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)C[C@@H]3C2)cn1	ZINC001164770963	721093864	/nfs/dbraw/zinc/09/38/64/721093864.db2.gz	QPKTUZHRRHDHRO-CVEARBPZSA-N	1	1	418.933	1.053	20	0		HDADMO
CCOC(=O)c1cc(Cl)nnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164761580	721095569	/nfs/dbraw/zinc/09/55/69/721095569.db2.gz	CAIJFWBBHWZHJG-GJZGRUSLSA-N	1	1	404.902	1.999	20	0		HDADMO
COC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12	ZINC001164866640	721105474	/nfs/dbraw/zinc/10/54/74/721105474.db2.gz	UKCAYCILNJCUGG-HZPDHXFCSA-N	1	1	408.462	1.619	20	0		HDADMO
CCOC(=O)c1nnc(Cl)cc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164772747	721118730	/nfs/dbraw/zinc/11/87/30/721118730.db2.gz	WEYJKBBIMXHVKZ-GJZGRUSLSA-N	1	1	404.902	1.999	20	0		HDADMO
COC(OC)c1c(CO)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865930	721120386	/nfs/dbraw/zinc/12/03/86/721120386.db2.gz	QAABBVWNWWAEEP-MOPGFXCFSA-N	1	1	414.506	1.740	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nc(Cl)nc4C(N)=O)C[C@H]3C2)cn1	ZINC001164763437	721147721	/nfs/dbraw/zinc/14/77/21/721147721.db2.gz	FVUWBZUREWMBGG-VXGBXAGGSA-N	1	1	410.309	1.574	20	0		HDADMO
COC(=O)CSc1cncc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1	ZINC001164770904	721215775	/nfs/dbraw/zinc/21/57/75/721215775.db2.gz	PFICXRYMLMTXPD-CVEARBPZSA-N	1	1	402.524	1.434	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@@H]3C2)cn1	ZINC001164767227	721237365	/nfs/dbraw/zinc/23/73/65/721237365.db2.gz	WKKPCAHCSCDROS-CVEARBPZSA-N	1	1	401.946	1.810	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)C[C@H]3C2)cn1	ZINC001164762794	721244001	/nfs/dbraw/zinc/24/40/01/721244001.db2.gz	LIZCCQQSDOKNAG-BRWVUGGUSA-N	1	1	418.929	1.990	20	0		HDADMO
Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12	ZINC001164869344	721268030	/nfs/dbraw/zinc/26/80/30/721268030.db2.gz	KUBDKWYENAXQEN-UHFFFAOYSA-N	1	1	420.945	1.927	20	0		HDADMO
COC(=O)c1c(C)cc(C)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164869827	721271976	/nfs/dbraw/zinc/27/19/76/721271976.db2.gz	PAQCEEKDQRNETG-UHFFFAOYSA-N	1	1	418.538	1.492	20	0		HDADMO
Cc1nc2ccc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nc2n1C	ZINC001164870435	721273795	/nfs/dbraw/zinc/27/37/95/721273795.db2.gz	YPNHDYSNVKETAL-UHFFFAOYSA-N	1	1	400.527	1.284	20	0		HDADMO
CCN(CC)c1cncc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164872802	721281375	/nfs/dbraw/zinc/28/13/75/721281375.db2.gz	FXQFZDMUMNYQCV-UHFFFAOYSA-N	1	1	404.559	1.330	20	0		HDADMO
NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1	ZINC001164770563	721295332	/nfs/dbraw/zinc/29/53/32/721295332.db2.gz	UDXACDXFRDPJAO-UHFFFAOYSA-N	1	1	406.886	1.849	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C(N)=O)cc(Cl)n4)C3)O2)CC1	ZINC001164891001	721384872	/nfs/dbraw/zinc/38/48/72/721384872.db2.gz	PZDMPEDUPBXBMJ-OXQOHEQNSA-N	1	1	407.946	1.599	20	0		HDADMO
CCOC(=O)c1cnc(C)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164888540	721399425	/nfs/dbraw/zinc/39/94/25/721399425.db2.gz	KAIMGUCQOVTCRT-AVRDEDQJSA-N	1	1	417.554	1.727	20	0		HDADMO
CCOC(=O)c1cnc(C)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164888545	721399656	/nfs/dbraw/zinc/39/96/56/721399656.db2.gz	KAIMGUCQOVTCRT-XMSQKQJNSA-N	1	1	417.554	1.727	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(n4)OCC(=O)N5)C3)O2)CC1	ZINC001164887723	721410567	/nfs/dbraw/zinc/41/05/67/721410567.db2.gz	MSGBEZXBVRKOJY-IERDGZPVSA-N	1	1	401.511	1.178	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c21	ZINC001164886273	721413297	/nfs/dbraw/zinc/41/32/97/721413297.db2.gz	IPQMBRUMRRPZKA-HYFFOGBASA-N	1	1	414.554	1.688	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164883864	721414726	/nfs/dbraw/zinc/41/47/26/721414726.db2.gz	CBKKJLXLGAXKGO-MGPUTAFESA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(n4)NC(=O)CO5)C3)O2)CC1	ZINC001164888372	721417085	/nfs/dbraw/zinc/41/70/85/721417085.db2.gz	OLGMLQQXHBLKGX-IIBYNOLFSA-N	1	1	401.511	1.178	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)C3)O2)CC1	ZINC001164897630	721430305	/nfs/dbraw/zinc/43/03/05/721430305.db2.gz	UJUKOKZEUCVUQZ-ZHRRBRCNSA-N	1	1	414.554	1.472	20	0		HDADMO
CCCNC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164888772	721436424	/nfs/dbraw/zinc/43/64/24/721436424.db2.gz	AVQZUMVQFFXINO-OFNKIYASSA-N	1	1	415.582	1.987	20	0		HDADMO
COCCOc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164892343	721437086	/nfs/dbraw/zinc/43/70/86/721437086.db2.gz	IEYSUEAMESFAHL-GHTZIAJQSA-N	1	1	405.543	1.267	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc(N(C)C)n1)CC2	ZINC001164789350	721462582	/nfs/dbraw/zinc/46/25/82/721462582.db2.gz	XETQNCRYVMMDDB-LJQANCHMSA-N	1	1	418.586	1.980	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCOCC3)ncn2)[C@H]2CCCO[C@@H]12	ZINC001164808999	721531563	/nfs/dbraw/zinc/53/15/63/721531563.db2.gz	SZRDFCZGHSQPMO-NNMXDRDESA-N	1	1	410.522	1.576	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@@H]2CCCO[C@@H]12	ZINC001164801504	721590899	/nfs/dbraw/zinc/59/08/99/721590899.db2.gz	FBXHEIQFAFPJFL-IIDMSEBBSA-N	1	1	412.519	1.784	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@@H]2CCCO[C@@H]12	ZINC001164801504	721590901	/nfs/dbraw/zinc/59/09/01/721590901.db2.gz	FBXHEIQFAFPJFL-IIDMSEBBSA-N	1	1	412.519	1.784	20	0		HDADMO
CCOC(=O)C[C@H]1C(=O)NCCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2	ZINC001165035009	721874644	/nfs/dbraw/zinc/87/46/44/721874644.db2.gz	RYAILFOFRATCJW-IBGZPJMESA-N	1	1	409.490	1.293	20	0		HDADMO
CCOC(=O)C[C@H]1C(=O)NCCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC001165035009	721874645	/nfs/dbraw/zinc/87/46/45/721874645.db2.gz	RYAILFOFRATCJW-IBGZPJMESA-N	1	1	409.490	1.293	20	0		HDADMO
CCOC(=O)C[C@@H]1C(=O)NCCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2	ZINC001165035012	721874687	/nfs/dbraw/zinc/87/46/87/721874687.db2.gz	RYAILFOFRATCJW-LJQANCHMSA-N	1	1	409.490	1.293	20	0		HDADMO
CCOC(=O)C[C@@H]1C(=O)NCCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC001165035012	721874688	/nfs/dbraw/zinc/87/46/88/721874688.db2.gz	RYAILFOFRATCJW-LJQANCHMSA-N	1	1	409.490	1.293	20	0		HDADMO
CN1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)nn2)CC1	ZINC001164959492	722050816	/nfs/dbraw/zinc/05/08/16/722050816.db2.gz	LFEALLFUXFABJH-NJNPRVFISA-N	1	1	409.538	1.529	20	0		HDADMO
c1nc2c(nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2N2CCOCC2)s1	ZINC001164967039	722070384	/nfs/dbraw/zinc/07/03/84/722070384.db2.gz	GAMDWWXZWCHKPH-GASCZTMLSA-N	1	1	402.524	1.222	20	0		HDADMO
CCC[C@@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1	ZINC001164967533	722076137	/nfs/dbraw/zinc/07/61/37/722076137.db2.gz	UFEUMDDTWSVUJI-NXHRZFHOSA-N	1	1	408.568	1.848	20	0		HDADMO
Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CCCO[C@@H]12	ZINC001164973623	722093546	/nfs/dbraw/zinc/09/35/46/722093546.db2.gz	BHDQDHCRPDHIFP-BJLQDIEVSA-N	1	1	410.522	1.576	20	0		HDADMO
NC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl	ZINC001164983415	722102836	/nfs/dbraw/zinc/10/28/36/722102836.db2.gz	QAKOZIZJNWPUOO-MAUKXSAKSA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1OC	ZINC001164975497	722103678	/nfs/dbraw/zinc/10/36/78/722103678.db2.gz	CAOQNIBOGFQGNZ-HKUYNNGSSA-N	1	1	412.490	1.999	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1OC	ZINC001164975499	722103861	/nfs/dbraw/zinc/10/38/61/722103861.db2.gz	CAOQNIBOGFQGNZ-MJGOQNOKSA-N	1	1	412.490	1.999	20	0		HDADMO
NC(=O)c1nc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164971037	722125817	/nfs/dbraw/zinc/12/58/17/722125817.db2.gz	BDTSVNKZSVLXCB-CABCVRRESA-N	1	1	402.886	1.351	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164973293	722139466	/nfs/dbraw/zinc/13/94/66/722139466.db2.gz	BRQSZPVQUBXYGW-HKUYNNGSSA-N	1	1	417.535	1.112	20	0		HDADMO
NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164972209	722153083	/nfs/dbraw/zinc/15/30/83/722153083.db2.gz	GXOHXJZHALETCA-NVXWUHKLSA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1Cl	ZINC001164997711	722230175	/nfs/dbraw/zinc/23/01/75/722230175.db2.gz	UCDFUKDLYFGIGZ-UHFFFAOYSA-N	1	1	416.913	1.669	20	0		HDADMO
CCOC(=O)Cc1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997066	722230743	/nfs/dbraw/zinc/23/07/43/722230743.db2.gz	NVGZFICXICMOJG-UHFFFAOYSA-N	1	1	410.522	1.334	20	0		HDADMO
COc1nc2ccccc2nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996515	722231242	/nfs/dbraw/zinc/23/12/42/722231242.db2.gz	ISWCJPURHXIBQT-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1	ZINC001164996229	722234024	/nfs/dbraw/zinc/23/40/24/722234024.db2.gz	AEIPIFDMZDEDQN-UHFFFAOYSA-N	1	1	410.522	1.334	20	0		HDADMO
CCOC(=O)c1ncnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1C	ZINC001164996791	722234631	/nfs/dbraw/zinc/23/46/31/722234631.db2.gz	JDMAFPSIJCJGQH-UHFFFAOYSA-N	1	1	411.510	1.109	20	0		HDADMO
Cc1cn(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)cn1	ZINC001164997243	722235467	/nfs/dbraw/zinc/23/54/67/722235467.db2.gz	OPXGISBQJXNRGK-UHFFFAOYSA-N	1	1	405.510	1.118	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc(-c4cccc(F)c4)n2)CC3)CC1	ZINC001165002743	722238060	/nfs/dbraw/zinc/23/80/60/722238060.db2.gz	XZQKZMYHIRCSSW-UHFFFAOYSA-N	1	1	420.496	1.825	20	0		HDADMO
COc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc2c1ccn2C	ZINC001165001891	722239897	/nfs/dbraw/zinc/23/98/97/722239897.db2.gz	OHMHHEGBCHYNFJ-UHFFFAOYSA-N	1	1	408.510	1.124	20	0		HDADMO
C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1CCNC3)CCC2	ZINC001164999545	722251263	/nfs/dbraw/zinc/25/12/63/722251263.db2.gz	BFIRJYINMYGVNR-UHFFFAOYSA-N	1	1	405.934	1.461	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C	ZINC000429046039	1073463826	/nfs/dbraw/zinc/46/38/26/1073463826.db2.gz	WXSVSERLZMHHOJ-OAQYLSRUSA-N	1	1	422.595	1.992	20	0		HDADMO
COc1ccccc1C(=O)N1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000673638114	1073466805	/nfs/dbraw/zinc/46/68/05/1073466805.db2.gz	LZABGLJCPUIKFB-XMMPIXPASA-N	1	1	423.513	1.617	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)CC1	ZINC000429048969	1073469915	/nfs/dbraw/zinc/46/99/15/1073469915.db2.gz	UAWGKKYULOFKAU-UHFFFAOYSA-N	1	1	402.495	1.566	20	0		HDADMO
CC(C)C[C@@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)N1C(=O)c2ccccc2C1=O	ZINC000429074608	1073512844	/nfs/dbraw/zinc/51/28/44/1073512844.db2.gz	ONKHCOHWHUKGTG-SFHVURJKSA-N	1	1	409.490	1.780	20	0		HDADMO
C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C[N@H+]1Cc1ccccc1	ZINC000509099794	1073518333	/nfs/dbraw/zinc/51/83/33/1073518333.db2.gz	XMAVSPLCHPOBMW-NEWSRXKRSA-N	1	1	409.552	1.400	20	0		HDADMO
C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[N@H+]1Cc1ccccc1	ZINC000509099796	1073518623	/nfs/dbraw/zinc/51/86/23/1073518623.db2.gz	XMAVSPLCHPOBMW-NZSAHSFTSA-N	1	1	409.552	1.400	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)[C@@H]1c1cccs1	ZINC000509100250	1073523837	/nfs/dbraw/zinc/52/38/37/1073523837.db2.gz	PUIGGOQZMRCLFV-IJEWVQPXSA-N	1	1	401.554	1.244	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)[C@H]1c1cccs1	ZINC000509100243	1073523878	/nfs/dbraw/zinc/52/38/78/1073523878.db2.gz	PUIGGOQZMRCLFV-FMKPAKJESA-N	1	1	401.554	1.244	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCC2(CNC(=O)C2)CC1	ZINC000482896116	1073534521	/nfs/dbraw/zinc/53/45/21/1073534521.db2.gz	HRTUSOOLOGSYJZ-UHFFFAOYSA-N	1	1	419.957	1.774	20	0		HDADMO
COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1	ZINC000673649313	1073537610	/nfs/dbraw/zinc/53/76/10/1073537610.db2.gz	YHCJARHXRDIVCJ-UHFFFAOYSA-N	1	1	417.491	1.364	20	0		HDADMO
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625183264	1073543013	/nfs/dbraw/zinc/54/30/13/1073543013.db2.gz	MEHZOFPVPPKVMD-HUUCEWRRSA-N	1	1	401.554	1.128	20	0		HDADMO
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673648727	1073547546	/nfs/dbraw/zinc/54/75/46/1073547546.db2.gz	MBKCVORWODKHON-OAQYLSRUSA-N	1	1	408.502	1.835	20	0		HDADMO
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673648727	1073547559	/nfs/dbraw/zinc/54/75/59/1073547559.db2.gz	MBKCVORWODKHON-OAQYLSRUSA-N	1	1	408.502	1.835	20	0		HDADMO
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000671415096	1073570687	/nfs/dbraw/zinc/57/06/87/1073570687.db2.gz	IYFXILYACKWXRH-AZUAARDMSA-N	1	1	407.518	1.682	20	0		HDADMO
O=C(Cn1c[nH+]c2c1CCCC2)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2	ZINC001004722692	1073572757	/nfs/dbraw/zinc/57/27/57/1073572757.db2.gz	ULHCKGQGOPMHKU-VTHVHUJDSA-N	1	1	410.518	1.433	20	0		HDADMO
CC(C)n1nnnc1S[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000028149303	1073602964	/nfs/dbraw/zinc/60/29/64/1073602964.db2.gz	NMWLUCAGFYTUFB-OAHLLOKOSA-N	1	1	404.540	1.883	20	0		HDADMO
NC(=O)C1CCN(c2ncccc2CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673658971	1073610379	/nfs/dbraw/zinc/61/03/79/1073610379.db2.gz	FOBYIATWNHJILX-FQEVSTJZSA-N	1	1	422.533	1.459	20	0		HDADMO
NC(=O)C1CCN(c2ncccc2CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673658971	1073610391	/nfs/dbraw/zinc/61/03/91/1073610391.db2.gz	FOBYIATWNHJILX-FQEVSTJZSA-N	1	1	422.533	1.459	20	0		HDADMO
CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668856	1073623277	/nfs/dbraw/zinc/62/32/77/1073623277.db2.gz	BFRLDPVITNZQCO-QUCCMNQESA-N	1	1	412.534	1.132	20	0		HDADMO
CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668856	1073623283	/nfs/dbraw/zinc/62/32/83/1073623283.db2.gz	BFRLDPVITNZQCO-QUCCMNQESA-N	1	1	412.534	1.132	20	0		HDADMO
CN(c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1)S(C)(=O)=O	ZINC000673670563	1073623860	/nfs/dbraw/zinc/62/38/60/1073623860.db2.gz	ZBBSYYKORPRXCK-IBGZPJMESA-N	1	1	402.520	1.758	20	0		HDADMO
CN(c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1)S(C)(=O)=O	ZINC000673670563	1073623863	/nfs/dbraw/zinc/62/38/63/1073623863.db2.gz	ZBBSYYKORPRXCK-IBGZPJMESA-N	1	1	402.520	1.758	20	0		HDADMO
CN(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl	ZINC000673673084	1073628047	/nfs/dbraw/zinc/62/80/47/1073628047.db2.gz	QIQPKGZMMQINPO-BEFAXECRSA-N	1	1	412.937	1.605	20	0		HDADMO
CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673673712	1073630129	/nfs/dbraw/zinc/63/01/29/1073630129.db2.gz	ZDVJARBNRDSHKP-MRXNPFEDSA-N	1	1	405.568	1.521	20	0		HDADMO
COCCCN(C(=O)c1n[nH]cc1I)C1CC[NH+](C)CC1	ZINC001117681956	1073632201	/nfs/dbraw/zinc/63/22/01/1073632201.db2.gz	RQZXVXIHIWAXMW-UHFFFAOYSA-N	1	1	406.268	1.587	20	0		HDADMO
COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1	ZINC000673681853	1073639054	/nfs/dbraw/zinc/63/90/54/1073639054.db2.gz	OXNAKAMJHLPZRD-QGZVFWFLSA-N	1	1	420.535	1.286	20	0		HDADMO
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1	ZINC000673707350	1073646199	/nfs/dbraw/zinc/64/61/99/1073646199.db2.gz	UUVNNYPIEIJUTG-FSSWDIPSSA-N	1	1	416.566	1.921	20	0		HDADMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1	ZINC001128528935	1073646235	/nfs/dbraw/zinc/64/62/35/1073646235.db2.gz	DFXLKMWNURYNPZ-QGZVFWFLSA-N	1	1	401.507	1.484	20	0		HDADMO
C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000673713583	1073652751	/nfs/dbraw/zinc/65/27/51/1073652751.db2.gz	DZQPQDDOUPSJIP-QFBILLFUSA-N	1	1	416.547	1.867	20	0		HDADMO
CC(=O)N1CCCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc21	ZINC000673714346	1073653514	/nfs/dbraw/zinc/65/35/14/1073653514.db2.gz	NCWAWIFTTAYJKG-IBGZPJMESA-N	1	1	402.539	1.723	20	0		HDADMO
Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000673740121	1073662120	/nfs/dbraw/zinc/66/21/20/1073662120.db2.gz	RXNIHXYKMKIJDG-UHFFFAOYSA-N	1	1	401.433	1.753	20	0		HDADMO
CN(C)c1noc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)n1	ZINC000946684260	1073673574	/nfs/dbraw/zinc/67/35/74/1073673574.db2.gz	BRLSVCWULHXARI-DDVYYSQMSA-N	1	1	401.511	1.229	20	0		HDADMO
CN(C)c1noc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)n1	ZINC000946684260	1073673596	/nfs/dbraw/zinc/67/35/96/1073673596.db2.gz	BRLSVCWULHXARI-DDVYYSQMSA-N	1	1	401.511	1.229	20	0		HDADMO
COCc1noc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)n1	ZINC000946684601	1073674193	/nfs/dbraw/zinc/67/41/93/1073674193.db2.gz	KNBMKQDJQZOQNK-IBZGSYRLSA-N	1	1	402.495	1.310	20	0		HDADMO
COCc1noc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)n1	ZINC000946684601	1073674199	/nfs/dbraw/zinc/67/41/99/1073674199.db2.gz	KNBMKQDJQZOQNK-IBZGSYRLSA-N	1	1	402.495	1.310	20	0		HDADMO
O=C(Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1)NC1CCCCC1	ZINC000673740706	1073675741	/nfs/dbraw/zinc/67/57/41/1073675741.db2.gz	IGZXZBXNPWJYPO-RTBURBONSA-N	1	1	403.527	1.003	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)NCC(C)(C)N1CCOCC1	ZINC000673757441	1073692331	/nfs/dbraw/zinc/69/23/31/1073692331.db2.gz	QFELFDYOUALJCL-FQEVSTJZSA-N	1	1	402.583	1.810	20	0		HDADMO
CCN(C(=O)CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000673759021	1073699141	/nfs/dbraw/zinc/69/91/41/1073699141.db2.gz	WKWNKGQOMDUJCB-ICSRJNTNSA-N	1	1	407.580	1.618	20	0		HDADMO
CCN(C(=O)CN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000673759021	1073699147	/nfs/dbraw/zinc/69/91/47/1073699147.db2.gz	WKWNKGQOMDUJCB-ICSRJNTNSA-N	1	1	407.580	1.618	20	0		HDADMO
Cc1cccn2cc(CCNC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)nc12	ZINC000673771134	1073703777	/nfs/dbraw/zinc/70/37/77/1073703777.db2.gz	ZBRXFFHUEAKWAI-UHFFFAOYSA-N	1	1	422.537	1.487	20	0		HDADMO
Cc1nc(CN2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC2)cs1	ZINC000509139002	1073712457	/nfs/dbraw/zinc/71/24/57/1073712457.db2.gz	NNWDYRPUWJHMSB-UHFFFAOYSA-N	1	1	401.536	1.985	20	0		HDADMO
CCS(=O)(=O)N(C)CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673770073	1073714275	/nfs/dbraw/zinc/71/42/75/1073714275.db2.gz	HIOGYCHRAGUCPZ-GOSISDBHSA-N	1	1	410.584	1.964	20	0		HDADMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1	ZINC000673786004	1073732314	/nfs/dbraw/zinc/73/23/14/1073732314.db2.gz	JZOWZMFNWCWWSG-LJQANCHMSA-N	1	1	412.534	1.938	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O	ZINC000673779139	1073735587	/nfs/dbraw/zinc/73/55/87/1073735587.db2.gz	XLYAGEVHMCNUPK-FXAWDEMLSA-N	1	1	410.522	1.831	20	0		HDADMO
CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000673797530	1073739438	/nfs/dbraw/zinc/73/94/38/1073739438.db2.gz	CKKSWEURKFVKIH-JOCHJYFZSA-N	1	1	415.538	1.094	20	0		HDADMO
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@H](C)O1	ZINC000673810704	1073754058	/nfs/dbraw/zinc/75/40/58/1073754058.db2.gz	CVBPYZNGUMYVMY-HLLBOEOZSA-N	1	1	404.515	1.125	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)C1	ZINC000673809643	1073761830	/nfs/dbraw/zinc/76/18/30/1073761830.db2.gz	NHAYMNLUHAKNCK-HNNXBMFYSA-N	1	1	418.519	1.871	20	0		HDADMO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000673825028	1073771146	/nfs/dbraw/zinc/77/11/46/1073771146.db2.gz	SBLUTRXVQQMFDS-MRXNPFEDSA-N	1	1	423.560	1.619	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000673825028	1073771155	/nfs/dbraw/zinc/77/11/55/1073771155.db2.gz	SBLUTRXVQQMFDS-MRXNPFEDSA-N	1	1	423.560	1.619	20	0		HDADMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CS(=O)(=O)CCO1	ZINC000509154479	1073775214	/nfs/dbraw/zinc/77/52/14/1073775214.db2.gz	RKEUTCUEDAPBJM-MOPGFXCFSA-N	1	1	409.552	1.354	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000429151155	1073789588	/nfs/dbraw/zinc/78/95/88/1073789588.db2.gz	QKDOWQHGRYXVQS-QGZVFWFLSA-N	1	1	411.572	1.125	20	0		HDADMO
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000673833702	1073801375	/nfs/dbraw/zinc/80/13/75/1073801375.db2.gz	NLSJFYSXGYDIST-QGZVFWFLSA-N	1	1	404.902	1.707	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)[C@H]2CCCN2c2ncccn2)c2cccs2)CC1	ZINC000673839357	1073803184	/nfs/dbraw/zinc/80/31/84/1073803184.db2.gz	ZXIUTFFVYCFITR-SJORKVTESA-N	1	1	400.552	1.612	20	0		HDADMO
CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673837177	1073811351	/nfs/dbraw/zinc/81/13/51/1073811351.db2.gz	DZQFEAKCCWYAQP-SFHVURJKSA-N	1	1	417.945	1.620	20	0		HDADMO
CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673837177	1073811361	/nfs/dbraw/zinc/81/13/61/1073811361.db2.gz	DZQFEAKCCWYAQP-SFHVURJKSA-N	1	1	417.945	1.620	20	0		HDADMO
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H](C)N1CC[NH+](C)CC1	ZINC000543496339	1073839376	/nfs/dbraw/zinc/83/93/76/1073839376.db2.gz	FANRIPSSNMDBCG-CYBMUJFWSA-N	1	1	400.445	1.917	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1	ZINC000673868433	1073847089	/nfs/dbraw/zinc/84/70/89/1073847089.db2.gz	YZCXVXNGXMRDTJ-MRXNPFEDSA-N	1	1	401.511	1.039	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1OCC	ZINC000673892022	1073864476	/nfs/dbraw/zinc/86/44/76/1073864476.db2.gz	QZLDKFPYMZUKRC-UHFFFAOYSA-N	1	1	405.495	1.746	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1	ZINC000673913725	1073880507	/nfs/dbraw/zinc/88/05/07/1073880507.db2.gz	RZJZBUBZLKPAJD-DNVCBOLYSA-N	1	1	402.495	1.593	20	0		HDADMO
CCOc1cc(NC2CCN(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncn1	ZINC000466557872	1073900307	/nfs/dbraw/zinc/90/03/07/1073900307.db2.gz	YXYHZLSWPIYLEQ-CALCHBBNSA-N	1	1	420.558	1.961	20	0		HDADMO
O=C(C[N@H+](CCO)CCN1CCOCC1)N[C@@H](c1cccs1)c1ccc(F)cc1	ZINC000484383997	1073959305	/nfs/dbraw/zinc/95/93/05/1073959305.db2.gz	FZOAYULMXFRVPE-OAQYLSRUSA-N	1	1	421.538	1.719	20	0		HDADMO
O=C(C[N@@H+](CCO)CCN1CCOCC1)N[C@@H](c1cccs1)c1ccc(F)cc1	ZINC000484383997	1073959306	/nfs/dbraw/zinc/95/93/06/1073959306.db2.gz	FZOAYULMXFRVPE-OAQYLSRUSA-N	1	1	421.538	1.719	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](C)O)cc1	ZINC000670439769	1073961349	/nfs/dbraw/zinc/96/13/49/1073961349.db2.gz	LGKHXDBHEGCIRX-VCBZYWHSSA-N	1	1	400.479	1.356	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1	ZINC000466578169	1074004195	/nfs/dbraw/zinc/00/41/95/1074004195.db2.gz	MKJLZULDEIQFBV-HSALFYBXSA-N	1	1	400.523	1.507	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](NC(=O)NC)C3)cc2)CC1	ZINC000466584919	1074016878	/nfs/dbraw/zinc/01/68/78/1074016878.db2.gz	LTDJBTZCZMECLR-IBGZPJMESA-N	1	1	402.543	1.037	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000543535333	1074035693	/nfs/dbraw/zinc/03/56/93/1074035693.db2.gz	XGLSIYOXFNDSOD-LSDHHAIUSA-N	1	1	422.551	1.184	20	0		HDADMO
CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1	ZINC001299292253	1074047002	/nfs/dbraw/zinc/04/70/02/1074047002.db2.gz	UGFDOKHAHMKHSG-PBHICJAKSA-N	1	1	404.540	1.216	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1	ZINC000674013275	1074064066	/nfs/dbraw/zinc/06/40/66/1074064066.db2.gz	CQVJAVBPVGRPKL-SFHVURJKSA-N	1	1	408.506	1.903	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N[C@H]2CCCSC2)cc1	ZINC000674021678	1074078476	/nfs/dbraw/zinc/07/84/76/1074078476.db2.gz	JASBKFAGFZXTJX-KRWDZBQOSA-N	1	1	405.568	1.914	20	0		HDADMO
CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1	ZINC000058983459	1074086968	/nfs/dbraw/zinc/08/69/68/1074086968.db2.gz	XBVWIMOSASGJHY-UHFFFAOYSA-N	1	1	405.564	1.740	20	0		HDADMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)c1	ZINC000543557500	1074093357	/nfs/dbraw/zinc/09/33/57/1074093357.db2.gz	SHAHSKXHPIXRCM-UHFFFAOYSA-N	1	1	423.517	1.918	20	0		HDADMO
Nc1ccccc1S(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000670457535	1074099965	/nfs/dbraw/zinc/09/99/65/1074099965.db2.gz	JACOYMLUQFUELZ-QGZVFWFLSA-N	1	1	402.520	1.328	20	0		HDADMO
CCn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O	ZINC000543560010	1074106658	/nfs/dbraw/zinc/10/66/58/1074106658.db2.gz	WFJZGQSJJPGABW-HOCLYGCPSA-N	1	1	404.442	1.725	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1	ZINC001545674827	1074131143	/nfs/dbraw/zinc/13/11/43/1074131143.db2.gz	MCMGNPAFVMYDFP-QGZVFWFLSA-N	1	1	414.558	1.456	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1nccs1	ZINC000543570644	1074135020	/nfs/dbraw/zinc/13/50/20/1074135020.db2.gz	QFBOKICVNFAVLE-AWEZNQCLSA-N	1	1	415.519	1.389	20	0		HDADMO
CN1CCn2nc(C(=O)NC[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2S1(=O)=O	ZINC001128604741	1074182745	/nfs/dbraw/zinc/18/27/45/1074182745.db2.gz	IGEULIUAIOLQRR-HXUWFJFHSA-N	1	1	417.535	1.159	20	0		HDADMO
CC(C)(CNC(=O)CNS(=O)(=O)c1ccccc1N)[N@H+]1CCc2ccccc2C1	ZINC000670465669	1074183862	/nfs/dbraw/zinc/18/38/62/1074183862.db2.gz	CGAYRKIRYRJDIU-UHFFFAOYSA-N	1	1	416.547	1.500	20	0		HDADMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000674136698	1074193230	/nfs/dbraw/zinc/19/32/30/1074193230.db2.gz	OAVQJXCUZBLGFU-QGTPRVQTSA-N	1	1	407.536	1.641	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)nc(C)n1	ZINC000674188595	1074203294	/nfs/dbraw/zinc/20/32/94/1074203294.db2.gz	VREFIFADBOUAEW-IBGZPJMESA-N	1	1	402.543	1.568	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N3CCN(C[C@@H]4CCCO4)CC3)CC2)nc(C)[nH+]1	ZINC000674188595	1074203298	/nfs/dbraw/zinc/20/32/98/1074203298.db2.gz	VREFIFADBOUAEW-IBGZPJMESA-N	1	1	402.543	1.568	20	0		HDADMO
O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000674217744	1074229917	/nfs/dbraw/zinc/22/99/17/1074229917.db2.gz	HEOQPSSEGRVVEW-IEBWSBKVSA-N	1	1	409.490	1.292	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1	ZINC000674224721	1074233101	/nfs/dbraw/zinc/23/31/01/1074233101.db2.gz	HJIYYCQPMLLPCN-DYESRHJHSA-N	1	1	422.529	1.940	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CC1	ZINC000674320571	1074270944	/nfs/dbraw/zinc/27/09/44/1074270944.db2.gz	IMKHNEJLNUQAOM-HXUWFJFHSA-N	1	1	419.497	1.206	20	0		HDADMO
COC1CCN(CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1	ZINC000674321285	1074271376	/nfs/dbraw/zinc/27/13/76/1074271376.db2.gz	UPEHOVANHTWWMR-UHFFFAOYSA-N	1	1	416.566	1.881	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674329930	1074279129	/nfs/dbraw/zinc/27/91/29/1074279129.db2.gz	UXTKZGUMNZRPDA-RTBURBONSA-N	1	1	421.973	1.624	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCC(=O)NC3CCCC3)cc2)CC1	ZINC000674318873	1074279923	/nfs/dbraw/zinc/27/99/23/1074279923.db2.gz	JBNRUVOEYZNCPP-UHFFFAOYSA-N	1	1	415.538	1.574	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCOC[C@@H]3CCOC3)cc2)CC1	ZINC000674319695	1074281329	/nfs/dbraw/zinc/28/13/29/1074281329.db2.gz	OKTDQOXDDSGUDG-LJQANCHMSA-N	1	1	418.538	1.568	20	0		HDADMO
COc1cc(S(=O)(=O)NCC[NH+]2CCC(OC)CC2)ccc1Br	ZINC000674333950	1074283445	/nfs/dbraw/zinc/28/34/45/1074283445.db2.gz	VAEHAWLEICSZFV-UHFFFAOYSA-N	1	1	407.330	1.847	20	0		HDADMO
COC1CC[NH+](CCNC(=O)NCCCN2CCN(c3ccccc3)CC2)CC1	ZINC000674329379	1074285335	/nfs/dbraw/zinc/28/53/35/1074285335.db2.gz	XJOWBPFMRPEHNR-UHFFFAOYSA-N	1	1	403.571	1.609	20	0		HDADMO
COc1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCC(OC)CC2)c1	ZINC000674333539	1074287512	/nfs/dbraw/zinc/28/75/12/1074287512.db2.gz	ZYPBHIAMBAEPTL-UHFFFAOYSA-N	1	1	407.330	1.847	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000038583648	1074290789	/nfs/dbraw/zinc/29/07/89/1074290789.db2.gz	CAJXRNREKPATKI-UHFFFAOYSA-N	1	1	419.469	1.880	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(=O)n(-c2cccc(F)c2)c1	ZINC000674359798	1074291682	/nfs/dbraw/zinc/29/16/82/1074291682.db2.gz	DCLQZMCAEQSQBY-IBGZPJMESA-N	1	1	414.481	1.113	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NC2(CO)CCCC2)cc1	ZINC000674382410	1074306796	/nfs/dbraw/zinc/30/67/96/1074306796.db2.gz	IOMAAXGTHXKUJB-UHFFFAOYSA-N	1	1	403.527	1.323	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1=O	ZINC000674424170	1074325600	/nfs/dbraw/zinc/32/56/00/1074325600.db2.gz	NLKSSXOTFOUFLE-DYESRHJHSA-N	1	1	401.511	1.528	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1	ZINC000674431640	1074343530	/nfs/dbraw/zinc/34/35/30/1074343530.db2.gz	SUIKMFSTNHZRGE-IJLUTSLNSA-N	1	1	418.382	1.956	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC000674432869	1074343747	/nfs/dbraw/zinc/34/37/47/1074343747.db2.gz	PRWMZIZEVYSPNK-NRJQMVOHSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC000674432869	1074343755	/nfs/dbraw/zinc/34/37/55/1074343755.db2.gz	PRWMZIZEVYSPNK-NRJQMVOHSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C1	ZINC000674448556	1074347509	/nfs/dbraw/zinc/34/75/09/1074347509.db2.gz	KPJLSJNRYMDYJR-KQDGPHEJSA-N	1	1	407.559	1.763	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3ccc(OC)c(F)c3)CCN2C1=O	ZINC000674470319	1074367993	/nfs/dbraw/zinc/36/79/93/1074367993.db2.gz	TVALJLBWDWQTRN-CJNGLKHVSA-N	1	1	406.458	1.150	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3ccc(OC)c(F)c3)CCN2C1=O	ZINC000674470319	1074368004	/nfs/dbraw/zinc/36/80/04/1074368004.db2.gz	TVALJLBWDWQTRN-CJNGLKHVSA-N	1	1	406.458	1.150	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)CCN2C1=O	ZINC000674469702	1074368597	/nfs/dbraw/zinc/36/85/97/1074368597.db2.gz	JWAMQQVUADGYEH-ZFWWWQNUSA-N	1	1	412.284	1.157	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2N)CC[N@H+]1Cc1ccccc1	ZINC000670473577	1074380940	/nfs/dbraw/zinc/38/09/40/1074380940.db2.gz	PAMHNFNWKHVKEF-AEFFLSMTSA-N	1	1	416.547	1.716	20	0		HDADMO
Cc1ccccc1[C@H](CC(=O)NCC1([NH+]2CCOCC2)CCOCC1)NC(N)=O	ZINC001626102351	1074415832	/nfs/dbraw/zinc/41/58/32/1074415832.db2.gz	ZIIQMLKCXWBWOA-SFHVURJKSA-N	1	1	404.511	1.092	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccc(OC)cn2)C3)CC[N@H+]1C	ZINC001005356426	1074419791	/nfs/dbraw/zinc/41/97/91/1074419791.db2.gz	JQIREICHAVIOBE-JUSBFGHESA-N	1	1	400.523	1.611	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1c(F)c(F)cc(F)c1F	ZINC000674520443	1074419858	/nfs/dbraw/zinc/41/98/58/1074419858.db2.gz	VDTJSISSEOTMJI-HNNXBMFYSA-N	1	1	417.403	1.573	20	0		HDADMO
CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1nc(C(F)(F)F)cs1	ZINC000674607886	1074477969	/nfs/dbraw/zinc/47/79/69/1074477969.db2.gz	FKZJVMLTAPJJAI-DCAQKATOSA-N	1	1	408.446	1.565	20	0		HDADMO
CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1nc(C(F)(F)F)cs1	ZINC000674607886	1074477973	/nfs/dbraw/zinc/47/79/73/1074477973.db2.gz	FKZJVMLTAPJJAI-DCAQKATOSA-N	1	1	408.446	1.565	20	0		HDADMO
CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1	ZINC000674621853	1074482225	/nfs/dbraw/zinc/48/22/25/1074482225.db2.gz	ZEOHEFKXCHXKGT-WOJBJXKFSA-N	1	1	402.539	1.835	20	0		HDADMO
CCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000674631189	1074495037	/nfs/dbraw/zinc/49/50/37/1074495037.db2.gz	MKJPSZOZFCYIFE-GHTZIAJQSA-N	1	1	413.566	1.992	20	0		HDADMO
CCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000674631189	1074495043	/nfs/dbraw/zinc/49/50/43/1074495043.db2.gz	MKJPSZOZFCYIFE-GHTZIAJQSA-N	1	1	413.566	1.992	20	0		HDADMO
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000674667567	1074512234	/nfs/dbraw/zinc/51/22/34/1074512234.db2.gz	JNWCXVMPWXAHDX-MRXNPFEDSA-N	1	1	412.556	1.079	20	0		HDADMO
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000674667567	1074512239	/nfs/dbraw/zinc/51/22/39/1074512239.db2.gz	JNWCXVMPWXAHDX-MRXNPFEDSA-N	1	1	412.556	1.079	20	0		HDADMO
C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCCN1C(=O)NC(C)(C)C1=O	ZINC000142201711	1074515103	/nfs/dbraw/zinc/51/51/03/1074515103.db2.gz	VLBWVRZVHYVUGD-UHFFFAOYSA-N	1	1	411.524	1.511	20	0		HDADMO
C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000674668982	1074519752	/nfs/dbraw/zinc/51/97/52/1074519752.db2.gz	IGIGGPNUVQDDHR-MAUKXSAKSA-N	1	1	409.552	1.253	20	0		HDADMO
C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674670572	1074520318	/nfs/dbraw/zinc/52/03/18/1074520318.db2.gz	XEZSUMYWMGJFRH-KDOFPFPSSA-N	1	1	407.536	1.134	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](OC)C3(C)C)cc2)CC1	ZINC000674682749	1074522721	/nfs/dbraw/zinc/52/27/21/1074522721.db2.gz	WIZUGXJFRDXOGS-ZWKOTPCHSA-N	1	1	416.522	1.333	20	0		HDADMO
Cc1cnc([C@@H](C)NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)s1	ZINC000674684282	1074522867	/nfs/dbraw/zinc/52/28/67/1074522867.db2.gz	LEVJRRANDGWTMS-OAHLLOKOSA-N	1	1	421.567	1.031	20	0		HDADMO
Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC001128809874	1074544914	/nfs/dbraw/zinc/54/49/14/1074544914.db2.gz	YTPLBWIWNAILGF-NRFANRHFSA-N	1	1	414.531	1.927	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1	ZINC000674761761	1074554600	/nfs/dbraw/zinc/55/46/00/1074554600.db2.gz	NVALYRZXAJMIKX-OAHLLOKOSA-N	1	1	420.539	1.375	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[C@@H]1C[N@H+](C)CCO1	ZINC000674811383	1074576529	/nfs/dbraw/zinc/57/65/29/1074576529.db2.gz	DDFGOPVMMXTKSG-QAPCUYQASA-N	1	1	416.547	1.380	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[C@@H]1C[N@@H+](C)CCO1	ZINC000674811383	1074576538	/nfs/dbraw/zinc/57/65/38/1074576538.db2.gz	DDFGOPVMMXTKSG-QAPCUYQASA-N	1	1	416.547	1.380	20	0		HDADMO
CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)n1	ZINC001005507702	1074581346	/nfs/dbraw/zinc/58/13/46/1074581346.db2.gz	SNTMMDLZXPPZBS-NPIHVYMDSA-N	1	1	403.527	1.182	20	0		HDADMO
CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)n1	ZINC001005507702	1074581353	/nfs/dbraw/zinc/58/13/53/1074581353.db2.gz	SNTMMDLZXPPZBS-NPIHVYMDSA-N	1	1	403.527	1.182	20	0		HDADMO
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674872205	1074593253	/nfs/dbraw/zinc/59/32/53/1074593253.db2.gz	MYWPIVFTHFWLRZ-LEWJYISDSA-N	1	1	415.582	1.833	20	0		HDADMO
CC[C@H]1CN(C)c2ccccc2CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000674869194	1074596633	/nfs/dbraw/zinc/59/66/33/1074596633.db2.gz	CADQFSOZSJVWET-IBGZPJMESA-N	1	1	401.555	1.979	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCO[C@@H]([C@H]3CCCO3)C2)CC1	ZINC000674914095	1074613045	/nfs/dbraw/zinc/61/30/45/1074613045.db2.gz	XUWAZRMFWJGJLW-FGZHOGPDSA-N	1	1	401.551	1.909	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1	ZINC000674917481	1074614136	/nfs/dbraw/zinc/61/41/36/1074614136.db2.gz	KTKPFSOCSRRZBC-LEWJYISDSA-N	1	1	402.539	1.523	20	0		HDADMO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC000674910305	1074615732	/nfs/dbraw/zinc/61/57/32/1074615732.db2.gz	KMNDDOGLLWQXBR-QIJUGHKUSA-N	1	1	417.550	1.403	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@H]([C@@H]4CCCO4)C3)CC2)cc1	ZINC000674913752	1074618354	/nfs/dbraw/zinc/61/83/54/1074618354.db2.gz	MNRNATKJAXLFQX-VXKWHMMOSA-N	1	1	401.551	1.909	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000674922703	1074623078	/nfs/dbraw/zinc/62/30/78/1074623078.db2.gz	GZXGGGSSRVBWLA-PMACEKPBSA-N	1	1	403.527	1.183	20	0		HDADMO
C[C@H](NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000674928126	1074625503	/nfs/dbraw/zinc/62/55/03/1074625503.db2.gz	VNKAHZAYZNZCTN-NRDMVMEKSA-N	1	1	403.523	1.865	20	0		HDADMO
C[C@H](NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000674928126	1074625509	/nfs/dbraw/zinc/62/55/09/1074625509.db2.gz	VNKAHZAYZNZCTN-NRDMVMEKSA-N	1	1	403.523	1.865	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1	ZINC000674917053	1074627256	/nfs/dbraw/zinc/62/72/56/1074627256.db2.gz	IFZXDYSZHUAYRN-YADHBBJMSA-N	1	1	416.566	1.914	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429310857	1074666718	/nfs/dbraw/zinc/66/67/18/1074666718.db2.gz	XUTXPKYMQCKWDJ-DLBZAZTESA-N	1	1	402.543	1.291	20	0		HDADMO
CC(=O)N1CCC[C@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1	ZINC001128932508	1074694059	/nfs/dbraw/zinc/69/40/59/1074694059.db2.gz	URNFXBMYKPZAEK-AWEZNQCLSA-N	1	1	424.343	1.793	20	0		HDADMO
CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(CN(C)C)c(F)c2)CC1	ZINC000675087620	1074703026	/nfs/dbraw/zinc/70/30/26/1074703026.db2.gz	OVFZNKDAVXBIOP-UHFFFAOYSA-N	1	1	422.545	1.509	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1	ZINC000448374617	1074705089	/nfs/dbraw/zinc/70/50/89/1074705089.db2.gz	SJMSIFNCGUEIQE-DZGCQCFKSA-N	1	1	407.540	2.514	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nn1C	ZINC000439495583	1074705181	/nfs/dbraw/zinc/70/51/81/1074705181.db2.gz	MJDUTSGBWKOTCF-UHFFFAOYSA-N	1	1	423.439	2.420	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nn1C	ZINC000439495583	1074705190	/nfs/dbraw/zinc/70/51/90/1074705190.db2.gz	MJDUTSGBWKOTCF-UHFFFAOYSA-N	1	1	423.439	2.420	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O	ZINC000675096214	1074708536	/nfs/dbraw/zinc/70/85/36/1074708536.db2.gz	VPTDCLFLKWAFNR-DOTOQJQBSA-N	1	1	419.551	1.638	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)s1	ZINC000532435420	1074709163	/nfs/dbraw/zinc/70/91/63/1074709163.db2.gz	OUMDTVURMMZZFV-KGLIPLIRSA-N	1	1	411.528	1.799	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O	ZINC000675098232	1074710093	/nfs/dbraw/zinc/71/00/93/1074710093.db2.gz	WHDJTQXCKCITAD-MOPGFXCFSA-N	1	1	413.522	1.229	20	0		HDADMO
COC(=O)CCN1CC[C@H](Nc2cc[nH+]c(N[C@@H]3CCCO[C@@H]3C(C)C)n2)C1=O	ZINC000485988087	1074714055	/nfs/dbraw/zinc/71/40/55/1074714055.db2.gz	XWTALOQTTJBFHG-RVKKMQEKSA-N	1	1	405.499	1.668	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nn1C1CCCCC1	ZINC000565980692	1074714584	/nfs/dbraw/zinc/71/45/84/1074714584.db2.gz	DTEFSZYYDZJTRR-QGZVFWFLSA-N	1	1	417.554	2.347	20	0		HDADMO
O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675103583	1074719914	/nfs/dbraw/zinc/71/99/14/1074719914.db2.gz	XPZGRCWBCXGHSJ-IAGOWNOFSA-N	1	1	422.961	1.019	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CCN2C1=O	ZINC000675108614	1074723426	/nfs/dbraw/zinc/72/34/26/1074723426.db2.gz	BQAHGTRYTTXRRF-RDTXWAMCSA-N	1	1	410.478	1.920	20	0		HDADMO
Cc1c(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675134253	1074727654	/nfs/dbraw/zinc/72/76/54/1074727654.db2.gz	DYTXDFINRSKKDB-ROUUACIJSA-N	1	1	410.522	1.728	20	0		HDADMO
COC(=O)COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2cccnc12	ZINC000429318960	1074734702	/nfs/dbraw/zinc/73/47/02/1074734702.db2.gz	PTIQNHACDLEBOT-CQSZACIVSA-N	1	1	402.451	1.317	20	0		HDADMO
COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2cccnc12	ZINC000429318960	1074734707	/nfs/dbraw/zinc/73/47/07/1074734707.db2.gz	PTIQNHACDLEBOT-CQSZACIVSA-N	1	1	402.451	1.317	20	0		HDADMO
Cc1cc(F)c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1F	ZINC000675140085	1074739437	/nfs/dbraw/zinc/73/94/37/1074739437.db2.gz	VAMVMZKWSGDCOT-UHFFFAOYSA-N	1	1	409.477	1.964	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000675147313	1074744374	/nfs/dbraw/zinc/74/43/74/1074744374.db2.gz	RARIGLAKRFWASQ-NVXWUHKLSA-N	1	1	403.504	1.492	20	0		HDADMO
COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)n1	ZINC000537255292	1074748602	/nfs/dbraw/zinc/74/86/02/1074748602.db2.gz	SSBUBRJSTPCWTI-QZTJIDSGSA-N	1	1	420.558	1.857	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000543615591	1074754153	/nfs/dbraw/zinc/75/41/53/1074754153.db2.gz	ZVOPCSGIRPBDOE-IAGOWNOFSA-N	1	1	402.543	1.711	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)nn1-c1ccc(F)cc1F	ZINC000568809793	1074756164	/nfs/dbraw/zinc/75/61/64/1074756164.db2.gz	ADFMQMZBDFSVMA-MRXNPFEDSA-N	1	1	417.416	2.410	20	0		HDADMO
CC(C)[C@@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)N1CC[NH+](C)CC1	ZINC000543616638	1074758248	/nfs/dbraw/zinc/75/82/48/1074758248.db2.gz	JZKJLYNCVSDIOO-LJQANCHMSA-N	1	1	402.543	1.605	20	0		HDADMO
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000675218931	1074760587	/nfs/dbraw/zinc/76/05/87/1074760587.db2.gz	MIFJHAODFPQOQV-HNNXBMFYSA-N	1	1	416.547	1.660	20	0		HDADMO
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000675219578	1074762293	/nfs/dbraw/zinc/76/22/93/1074762293.db2.gz	ZCYXKQJAHJBDQV-RQJZOYDLSA-N	1	1	404.555	1.578	20	0		HDADMO
CC1CCC(N2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)CC1	ZINC000427100266	1074765057	/nfs/dbraw/zinc/76/50/57/1074765057.db2.gz	LQQWEZJYQKFJLQ-UHFFFAOYSA-N	1	1	416.570	1.811	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)nn1-c1ccc(F)cc1F	ZINC000573244514	1074778667	/nfs/dbraw/zinc/77/86/67/1074778667.db2.gz	JFLYTMDYRAXHAM-DOTOQJQBSA-N	1	1	403.433	2.140	20	0		HDADMO
O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000490374804	1074786849	/nfs/dbraw/zinc/78/68/49/1074786849.db2.gz	GBZMRJITKIKQSP-LBPRGKRZSA-N	1	1	422.411	1.825	20	0		HDADMO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000477091022	1074791493	/nfs/dbraw/zinc/79/14/93/1074791493.db2.gz	AXTLRMIJQNYOGW-GBESFXJTSA-N	1	1	418.582	1.759	20	0		HDADMO
CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1	ZINC000466670439	1074794941	/nfs/dbraw/zinc/79/49/41/1074794941.db2.gz	RSPITOLWJFLMSD-IAQYHMDHSA-N	1	1	410.462	1.995	20	0		HDADMO
O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)F)n1	ZINC000444582546	1074797754	/nfs/dbraw/zinc/79/77/54/1074797754.db2.gz	PCHAOLXPCVETPS-MRXNPFEDSA-N	1	1	405.449	1.768	20	0		HDADMO
C[C@@]1(c2ccccc2)CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1	ZINC000675310305	1074800978	/nfs/dbraw/zinc/80/09/78/1074800978.db2.gz	TZELIWYAMDAKBI-UNMCSNQZSA-N	1	1	402.539	1.350	20	0		HDADMO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000477107821	1074810574	/nfs/dbraw/zinc/81/05/74/1074810574.db2.gz	NJTRLIWFHYPLHD-SFHVURJKSA-N	1	1	410.603	1.763	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@@H]21	ZINC000766106923	1074812527	/nfs/dbraw/zinc/81/25/27/1074812527.db2.gz	GASTWDMPHAKOON-YRPNKDGESA-N	1	1	401.507	1.701	20	0		HDADMO
COCCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2S1(=O)=O	ZINC000766110954	1074818626	/nfs/dbraw/zinc/81/86/26/1074818626.db2.gz	VUMXQDDTRKANFA-DOTOQJQBSA-N	1	1	421.519	1.034	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]21	ZINC000766112368	1074819333	/nfs/dbraw/zinc/81/93/33/1074819333.db2.gz	JLFGTTFIFLJTES-SFTDATJTSA-N	1	1	414.550	1.884	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1	ZINC000675372964	1075091588	/nfs/dbraw/zinc/09/15/88/1075091588.db2.gz	YSKSGDHRJOCDCT-UHFFFAOYSA-N	1	1	400.520	1.519	20	0		HDADMO
COc1ccc(C(=O)NCC(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000470625786	1075102357	/nfs/dbraw/zinc/10/23/57/1075102357.db2.gz	LWRIEXWKSXZOBE-UHFFFAOYSA-N	1	1	424.501	1.380	20	0		HDADMO
COCCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000509328344	1075102910	/nfs/dbraw/zinc/10/29/10/1075102910.db2.gz	RICPCLXKBJKVNJ-NRFANRHFSA-N	1	1	409.596	1.724	20	0		HDADMO
C[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1	ZINC000509330866	1075111463	/nfs/dbraw/zinc/11/14/63/1075111463.db2.gz	JDSDDCAVOJKXDR-QYZOEREBSA-N	1	1	407.603	1.881	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc(C)cc3-c3cnn(C)c3)CC2)no1	ZINC000584125845	1075117797	/nfs/dbraw/zinc/11/77/97/1075117797.db2.gz	FDLSMKLLBAEWES-UHFFFAOYSA-N	1	1	408.506	2.448	20	0		HDADMO
COc1cccc([C@@H](O)C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc2ccccc2)c1	ZINC000766120274	1075123875	/nfs/dbraw/zinc/12/38/75/1075123875.db2.gz	LTXNBOZQYNNGMN-UWJYYQICSA-N	1	1	413.518	1.824	20	0		HDADMO
COc1cccc([C@@H](O)C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc2ccccc2)c1	ZINC000766120274	1075123877	/nfs/dbraw/zinc/12/38/77/1075123877.db2.gz	LTXNBOZQYNNGMN-UWJYYQICSA-N	1	1	413.518	1.824	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1	ZINC000675396995	1075125629	/nfs/dbraw/zinc/12/56/29/1075125629.db2.gz	MNOYSMNBPLZELE-SFHVURJKSA-N	1	1	412.538	1.575	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)c2cccc(CNc3ccncn3)c2)CC1	ZINC000543537536	1075126387	/nfs/dbraw/zinc/12/63/87/1075126387.db2.gz	AIBCZGDZOBCSNM-UHFFFAOYSA-N	1	1	410.522	1.809	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@H]3CCOC3)CC2)C1	ZINC000675401499	1075127074	/nfs/dbraw/zinc/12/70/74/1075127074.db2.gz	AQWPSBCEEPYWSR-ROUUACIJSA-N	1	1	416.522	1.031	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@H+]1Cc1ccccc1	ZINC000466676529	1075129583	/nfs/dbraw/zinc/12/95/83/1075129583.db2.gz	AYWZQJJLUYTNEZ-CRAIPNDOSA-N	1	1	405.462	1.380	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)no1	ZINC000461577669	1075134100	/nfs/dbraw/zinc/13/41/00/1075134100.db2.gz	KKIMMYBMBDKWSX-OAHLLOKOSA-N	1	1	410.540	1.804	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000444520031	1075143229	/nfs/dbraw/zinc/14/32/29/1075143229.db2.gz	OBYQKAQRXLSZGI-LJQANCHMSA-N	1	1	413.522	1.839	20	0		HDADMO
CCN1CCN(C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)[C@H](C)C1=O	ZINC000429345103	1075145185	/nfs/dbraw/zinc/14/51/85/1075145185.db2.gz	LYVRPIYTSSBIIP-QGZVFWFLSA-N	1	1	415.538	1.478	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1F	ZINC000429345056	1075146126	/nfs/dbraw/zinc/14/61/26/1075146126.db2.gz	BJXVYKVVFUULBB-ZIAGYGMSSA-N	1	1	424.473	1.037	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1F	ZINC000429345056	1075146130	/nfs/dbraw/zinc/14/61/30/1075146130.db2.gz	BJXVYKVVFUULBB-ZIAGYGMSSA-N	1	1	424.473	1.037	20	0		HDADMO
O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000429348399	1075160035	/nfs/dbraw/zinc/16/00/35/1075160035.db2.gz	JSSMICQWHFHXCV-MOPGFXCFSA-N	1	1	423.517	1.924	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466680581	1075161871	/nfs/dbraw/zinc/16/18/71/1075161871.db2.gz	LWWFIWRTQLMATQ-YLJYHZDGSA-N	1	1	423.517	1.636	20	0		HDADMO
COc1cccc(OCC[NH+]2CCN(Cc3ccc(S(=O)(=O)N(C)C)o3)CC2)c1	ZINC000766163295	1075162064	/nfs/dbraw/zinc/16/20/64/1075162064.db2.gz	QWFXSYREGRCVCK-UHFFFAOYSA-N	1	1	423.535	1.735	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)[C@H]1C(C)C	ZINC000429349833	1075166908	/nfs/dbraw/zinc/16/69/08/1075166908.db2.gz	AEQDQFMMGRNOHF-LIVBEALHSA-N	1	1	407.486	1.639	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675482996	1075172064	/nfs/dbraw/zinc/17/20/64/1075172064.db2.gz	WZOUTWCFCWLPSM-APWZRJJASA-N	1	1	409.552	1.495	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675482996	1075172068	/nfs/dbraw/zinc/17/20/68/1075172068.db2.gz	WZOUTWCFCWLPSM-APWZRJJASA-N	1	1	409.552	1.495	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000448296030	1075176813	/nfs/dbraw/zinc/17/68/13/1075176813.db2.gz	DZXGUSSAPGXMKM-HZPDHXFCSA-N	1	1	411.428	2.450	20	0		HDADMO
Cc1oc(C2CC2)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1	ZINC001005737051	1075181493	/nfs/dbraw/zinc/18/14/93/1075181493.db2.gz	VPXHANKJEQJKNZ-OFGYBXGMSA-N	1	1	402.495	1.441	20	0		HDADMO
Cc1oc(C2CC2)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1	ZINC001005737051	1075181495	/nfs/dbraw/zinc/18/14/95/1075181495.db2.gz	VPXHANKJEQJKNZ-OFGYBXGMSA-N	1	1	402.495	1.441	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1	ZINC000675519016	1075184709	/nfs/dbraw/zinc/18/47/09/1075184709.db2.gz	ONLJRZLOYJGCCD-UHFFFAOYSA-N	1	1	415.534	1.892	20	0		HDADMO
O=C(COc1ccc(F)cc1)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1	ZINC000543634411	1075185048	/nfs/dbraw/zinc/18/50/48/1075185048.db2.gz	ZLMPPELIRKSRKN-UHFFFAOYSA-N	1	1	400.454	1.651	20	0		HDADMO
CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500947	1075185250	/nfs/dbraw/zinc/18/52/50/1075185250.db2.gz	QQIKRRGNGFCERV-UFYCRDLUSA-N	1	1	423.579	1.596	20	0		HDADMO
CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500947	1075185251	/nfs/dbraw/zinc/18/52/51/1075185251.db2.gz	QQIKRRGNGFCERV-UFYCRDLUSA-N	1	1	423.579	1.596	20	0		HDADMO
C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC(S(C)(=O)=O)CC1	ZINC000675503700	1075186520	/nfs/dbraw/zinc/18/65/20/1075186520.db2.gz	NMVDNRFXMQOGQK-KRWDZBQOSA-N	1	1	423.579	1.033	20	0		HDADMO
C[C@@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC[N@H+](C2CCC2)C1	ZINC000429357542	1075188961	/nfs/dbraw/zinc/18/89/61/1075188961.db2.gz	ZVJJLVJSDRSBIJ-OAHLLOKOSA-N	1	1	404.540	1.372	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1	ZINC000675533889	1075193171	/nfs/dbraw/zinc/19/31/71/1075193171.db2.gz	MACUJOUVHBOFRW-INIZCTEOSA-N	1	1	409.481	1.349	20	0		HDADMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1	ZINC000483948554	1075193466	/nfs/dbraw/zinc/19/34/66/1075193466.db2.gz	BNKVEYDTSXACAM-OAHLLOKOSA-N	1	1	404.902	1.719	20	0		HDADMO
O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000468457735	1075194168	/nfs/dbraw/zinc/19/41/68/1075194168.db2.gz	KVCNUJBHNUCJLV-HXUWFJFHSA-N	1	1	418.501	1.850	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1	ZINC000675528862	1075200736	/nfs/dbraw/zinc/20/07/36/1075200736.db2.gz	NEGSHMPYTUOPLZ-UHFFFAOYSA-N	1	1	402.524	1.757	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1	ZINC000521374410	1075208234	/nfs/dbraw/zinc/20/82/34/1075208234.db2.gz	YBGNYERQWUJKHN-SFHVURJKSA-N	1	1	413.522	1.885	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000675584615	1075214651	/nfs/dbraw/zinc/21/46/51/1075214651.db2.gz	DPGNCRJWUCPTGT-DLBZAZTESA-N	1	1	401.467	1.547	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000466687691	1075215876	/nfs/dbraw/zinc/21/58/76/1075215876.db2.gz	ZLINDWYFTNHAMU-IYBDPMFKSA-N	1	1	423.535	1.164	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1	ZINC000675586639	1075217557	/nfs/dbraw/zinc/21/75/57/1075217557.db2.gz	WVUIUMWNSMAVFE-ZIFCJYIRSA-N	1	1	405.543	1.875	20	0		HDADMO
COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000675606178	1075222333	/nfs/dbraw/zinc/22/23/33/1075222333.db2.gz	XKODIAZWEJYAEM-GOSISDBHSA-N	1	1	418.538	1.061	20	0		HDADMO
COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000675606178	1075222335	/nfs/dbraw/zinc/22/23/35/1075222335.db2.gz	XKODIAZWEJYAEM-GOSISDBHSA-N	1	1	418.538	1.061	20	0		HDADMO
O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000675588088	1075226364	/nfs/dbraw/zinc/22/63/64/1075226364.db2.gz	PSWULXFVNJRMKC-AWEZNQCLSA-N	1	1	403.405	1.097	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000675587863	1075226881	/nfs/dbraw/zinc/22/68/81/1075226881.db2.gz	RDTQEQGSGFWODN-FQEVSTJZSA-N	1	1	411.506	1.735	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000675594183	1075231542	/nfs/dbraw/zinc/23/15/42/1075231542.db2.gz	QPSLCSFSZZIQSY-VQTJNVASSA-N	1	1	411.506	1.781	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[C@@H](C)C1	ZINC000675594052	1075231886	/nfs/dbraw/zinc/23/18/86/1075231886.db2.gz	NZSNYZYJTBDAGS-UHOSZYNNSA-N	1	1	421.542	1.254	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466691991	1075235737	/nfs/dbraw/zinc/23/57/37/1075235737.db2.gz	XYEKUOXQOWPAED-MAUKXSAKSA-N	1	1	415.515	1.808	20	0		HDADMO
C[C@@H](O)c1ccc(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1	ZINC000785481326	1075235953	/nfs/dbraw/zinc/23/59/53/1075235953.db2.gz	QHVSCJFXDZXITC-QGZVFWFLSA-N	1	1	411.502	1.505	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C[C@H]1C	ZINC000443375015	1075236247	/nfs/dbraw/zinc/23/62/47/1075236247.db2.gz	QUUVMNASJZUIJB-RHSMWYFYSA-N	1	1	418.929	2.250	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C[C@H]1C	ZINC000446794885	1075236321	/nfs/dbraw/zinc/23/63/21/1075236321.db2.gz	FCHZIDDDAZFGDP-HUUCEWRRSA-N	1	1	402.474	1.985	20	0		HDADMO
O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000429366866	1075242558	/nfs/dbraw/zinc/24/25/58/1075242558.db2.gz	UIQISAJGJAQPNT-MRXNPFEDSA-N	1	1	422.489	2.163	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000675646258	1075247073	/nfs/dbraw/zinc/24/70/73/1075247073.db2.gz	WISSXOUNENSQJC-OALUTQOASA-N	1	1	424.567	1.178	20	0		HDADMO
O=C(NCc1csc(-c2ccco2)n1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675652405	1075247430	/nfs/dbraw/zinc/24/74/30/1075247430.db2.gz	KRIXPGXGUNZMFD-OAHLLOKOSA-N	1	1	405.524	1.609	20	0		HDADMO
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000675663864	1075251381	/nfs/dbraw/zinc/25/13/81/1075251381.db2.gz	QXZUQPPBSSOSTH-XIRDDKMYSA-N	1	1	413.515	1.252	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H]1CCC(F)(F)C1	ZINC000675705788	1075258630	/nfs/dbraw/zinc/25/86/30/1075258630.db2.gz	WAKUIHIRACKLOS-CQSZACIVSA-N	1	1	424.448	1.325	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1	ZINC000543644046	1075265668	/nfs/dbraw/zinc/26/56/68/1075265668.db2.gz	AIUOCOMDPLLDTG-OALUTQOASA-N	1	1	406.502	1.898	20	0		HDADMO
Cc1ccc(-c2nc(SCC(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)n[nH]2)cc1	ZINC000675784796	1075271170	/nfs/dbraw/zinc/27/11/70/1075271170.db2.gz	BAYAQKJJPYYZJV-IRXDYDNUSA-N	1	1	401.536	1.930	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCS[C@H](C)[C@@H]3C)n2)c1C	ZINC000434595917	1075278495	/nfs/dbraw/zinc/27/84/95/1075278495.db2.gz	IYVLFICBGOQRGB-UONOGXRCSA-N	1	1	418.523	1.638	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCC3(C)C)n2)c1C	ZINC000434811841	1075280374	/nfs/dbraw/zinc/28/03/74/1075280374.db2.gz	CTFPOOWDGIYKDU-OAHLLOKOSA-N	1	1	400.483	1.980	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O	ZINC000543650612	1075284163	/nfs/dbraw/zinc/28/41/63/1075284163.db2.gz	LMTKYFVOGGLDLL-INIZCTEOSA-N	1	1	401.960	1.776	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1	ZINC000675898911	1075288092	/nfs/dbraw/zinc/28/80/92/1075288092.db2.gz	RYEQBHJQXRYSMD-KDOFPFPSSA-N	1	1	416.349	1.972	20	0		HDADMO
O=C(C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2)Nc1ccon1	ZINC001035207637	1075289775	/nfs/dbraw/zinc/28/97/75/1075289775.db2.gz	ZJESLBQWWVEMDH-LCEIHVTHSA-N	1	1	400.479	1.351	20	0		HDADMO
O=C(C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2)Nc1ccon1	ZINC001035207637	1075289780	/nfs/dbraw/zinc/28/97/80/1075289780.db2.gz	ZJESLBQWWVEMDH-LCEIHVTHSA-N	1	1	400.479	1.351	20	0		HDADMO
COc1cc(OC)c(OC)cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000675919321	1075291813	/nfs/dbraw/zinc/29/18/13/1075291813.db2.gz	YZJIXYLVDJUCBC-OAHLLOKOSA-N	1	1	421.494	1.364	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C[NH+]1CCOCC1	ZINC000479121710	1075296384	/nfs/dbraw/zinc/29/63/84/1075296384.db2.gz	YEKJIKRQRZEQSM-ZDUSSCGKSA-N	1	1	402.322	1.737	20	0		HDADMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1	ZINC000479117035	1075300248	/nfs/dbraw/zinc/30/02/48/1075300248.db2.gz	CTWSKENCCDWLSV-CYBMUJFWSA-N	1	1	402.322	1.567	20	0		HDADMO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1c(Cl)cccc1Cl	ZINC000479118647	1075301347	/nfs/dbraw/zinc/30/13/47/1075301347.db2.gz	MBHYAJCGYKKNMZ-CYBMUJFWSA-N	1	1	416.349	1.956	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1c(Cl)cccc1Cl	ZINC000479118647	1075301350	/nfs/dbraw/zinc/30/13/50/1075301350.db2.gz	MBHYAJCGYKKNMZ-CYBMUJFWSA-N	1	1	416.349	1.956	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)[nH+]c1	ZINC000555770576	1075302988	/nfs/dbraw/zinc/30/29/88/1075302988.db2.gz	PNVSTJSXDXGMSI-UHFFFAOYSA-N	1	1	417.535	2.331	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731294799	1075304790	/nfs/dbraw/zinc/30/47/90/1075304790.db2.gz	OQPMCEWVNWJCNK-ZBFHGGJFSA-N	1	1	415.494	1.859	20	0		HDADMO
CN(C)c1nc2cc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)ccc2o1	ZINC000675928624	1075305466	/nfs/dbraw/zinc/30/54/66/1075305466.db2.gz	MVPCZRPCSFQHDL-INIZCTEOSA-N	1	1	414.510	1.071	20	0		HDADMO
Cc1ccc(Nc2cccc(C(=O)N(CC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)c2)nn1	ZINC000467630729	1075312241	/nfs/dbraw/zinc/31/22/41/1075312241.db2.gz	RYIGOVPRUMARDE-GOSISDBHSA-N	1	1	417.535	1.720	20	0		HDADMO
CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1	ZINC000675970905	1075312591	/nfs/dbraw/zinc/31/25/91/1075312591.db2.gz	IDNFTTFCMANTCN-UHFFFAOYSA-N	1	1	418.519	1.882	20	0		HDADMO
O[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)COc1ccccc1Br	ZINC000546757847	1075314218	/nfs/dbraw/zinc/31/42/18/1075314218.db2.gz	DWXDAVNJWIHRIO-CYBMUJFWSA-N	1	1	409.284	1.928	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)CC1	ZINC000675988747	1075315255	/nfs/dbraw/zinc/31/52/55/1075315255.db2.gz	DKTUNCXOKVCGHM-HXUWFJFHSA-N	1	1	403.546	1.821	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)CC1	ZINC000675988747	1075315261	/nfs/dbraw/zinc/31/52/61/1075315261.db2.gz	DKTUNCXOKVCGHM-HXUWFJFHSA-N	1	1	403.546	1.821	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1	ZINC000675996472	1075319776	/nfs/dbraw/zinc/31/97/76/1075319776.db2.gz	FSPSIXZCUZPTND-PMACEKPBSA-N	1	1	410.522	1.572	20	0		HDADMO
Cn1ccnc1C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000675996168	1075320096	/nfs/dbraw/zinc/32/00/96/1075320096.db2.gz	GRKQKMVLJZVGKW-PMACEKPBSA-N	1	1	424.549	1.652	20	0		HDADMO
COc1ccc2c(c1)OCC[C@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000675996753	1075320219	/nfs/dbraw/zinc/32/02/19/1075320219.db2.gz	VBBZWBAMXMGPHV-MSOLQXFVSA-N	1	1	402.495	1.467	20	0		HDADMO
COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000675996757	1075320685	/nfs/dbraw/zinc/32/06/85/1075320685.db2.gz	VBBZWBAMXMGPHV-ZWKOTPCHSA-N	1	1	402.495	1.467	20	0		HDADMO
COc1cc(NC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)nn1C	ZINC000547839727	1075322579	/nfs/dbraw/zinc/32/25/79/1075322579.db2.gz	LREGQWLJORXAQI-UHFFFAOYSA-N	1	1	417.510	2.240	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429388427	1075325146	/nfs/dbraw/zinc/32/51/46/1075325146.db2.gz	RLKIWAFBLRJSCL-QZTJIDSGSA-N	1	1	402.539	1.759	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1	ZINC000676044601	1075339314	/nfs/dbraw/zinc/33/93/14/1075339314.db2.gz	DHWJQAVWUNHRBI-OAQYLSRUSA-N	1	1	415.534	1.937	20	0		HDADMO
CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1	ZINC000676075734	1075343946	/nfs/dbraw/zinc/34/39/46/1075343946.db2.gz	PFBLRQJAZQNPCM-QRVBRYPASA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1	ZINC000676075734	1075343951	/nfs/dbraw/zinc/34/39/51/1075343951.db2.gz	PFBLRQJAZQNPCM-QRVBRYPASA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1	ZINC000676075734	1075343956	/nfs/dbraw/zinc/34/39/56/1075343956.db2.gz	PFBLRQJAZQNPCM-QRVBRYPASA-N	1	1	404.621	1.374	20	0		HDADMO
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000509381776	1075352226	/nfs/dbraw/zinc/35/22/26/1075352226.db2.gz	ZGWSTUDWJVBDBV-RBUKOAKNSA-N	1	1	417.506	1.001	20	0		HDADMO
CCN1C(=S)N=NC1CNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000731475222	1075360384	/nfs/dbraw/zinc/36/03/84/1075360384.db2.gz	OEXWQOIPVPKACV-UHFFFAOYSA-N	1	1	412.523	1.394	20	0		HDADMO
Cc1c(C(=O)NCCCNc2ncccn2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731474703	1075360701	/nfs/dbraw/zinc/36/07/01/1075360701.db2.gz	WLYKVGBHQFTYON-UHFFFAOYSA-N	1	1	406.494	1.586	20	0		HDADMO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1	ZINC000676097940	1075361223	/nfs/dbraw/zinc/36/12/23/1075361223.db2.gz	XVERZENRNVAQEN-HXUWFJFHSA-N	1	1	404.474	1.939	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1	ZINC000676097940	1075361230	/nfs/dbraw/zinc/36/12/30/1075361230.db2.gz	XVERZENRNVAQEN-HXUWFJFHSA-N	1	1	404.474	1.939	20	0		HDADMO
O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000676098073	1075362509	/nfs/dbraw/zinc/36/25/09/1075362509.db2.gz	YGUUHRPPNHPAFB-UHFFFAOYSA-N	1	1	412.494	1.309	20	0		HDADMO
CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000676097200	1075362604	/nfs/dbraw/zinc/36/26/04/1075362604.db2.gz	KAGOLPCKVSQUNZ-HXUWFJFHSA-N	1	1	412.538	1.506	20	0		HDADMO
CC(C)OCC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1	ZINC000676097194	1075362616	/nfs/dbraw/zinc/36/26/16/1075362616.db2.gz	JVJPQNDPPBUMNK-UHFFFAOYSA-N	1	1	400.483	1.211	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[N@@H+]1Cc1ccccc1	ZINC000676099071	1075365769	/nfs/dbraw/zinc/36/57/69/1075365769.db2.gz	BQFBNACBWMZXLW-FUHWJXTLSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[N@H+]1Cc1ccccc1	ZINC000676099071	1075365770	/nfs/dbraw/zinc/36/57/70/1075365770.db2.gz	BQFBNACBWMZXLW-FUHWJXTLSA-N	1	1	404.474	1.985	20	0		HDADMO
COc1ccc(CCC(=O)N2CC[NH+](CCC(=O)Nc3cc(C)on3)CC2)cc1	ZINC000576095571	1075366018	/nfs/dbraw/zinc/36/60/18/1075366018.db2.gz	MUGTZXTZDVNRDB-UHFFFAOYSA-N	1	1	400.479	2.097	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1	ZINC000731484095	1075366185	/nfs/dbraw/zinc/36/61/85/1075366185.db2.gz	DFUMGXWKCSKEIM-GOSISDBHSA-N	1	1	416.588	1.640	20	0		HDADMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804087318	1075378372	/nfs/dbraw/zinc/37/83/72/1075378372.db2.gz	FXGIQWBCIJJPSO-GVDBMIGSSA-N	1	1	410.559	1.739	20	0		HDADMO
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000429396994	1075382260	/nfs/dbraw/zinc/38/22/60/1075382260.db2.gz	YBVWIYJQWABQLJ-RAALOAAWSA-N	1	1	412.600	1.262	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCSC[C@@H]3CCO)cc2)CC1	ZINC000676127397	1075388295	/nfs/dbraw/zinc/38/82/95/1075388295.db2.gz	WVMWWQLHXRTTPM-SFHVURJKSA-N	1	1	406.552	1.796	20	0		HDADMO
O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676131098	1075391163	/nfs/dbraw/zinc/39/11/63/1075391163.db2.gz	MUGNQFVUNDWUMA-WIYYLYMNSA-N	1	1	408.502	1.977	20	0		HDADMO
O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676131095	1075391219	/nfs/dbraw/zinc/39/12/19/1075391219.db2.gz	MUGNQFVUNDWUMA-GHTZIAJQSA-N	1	1	408.502	1.977	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C	ZINC000804093949	1075392508	/nfs/dbraw/zinc/39/25/08/1075392508.db2.gz	QUIIIXCKTPPTHK-KGLIPLIRSA-N	1	1	422.530	1.054	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000556435734	1075421267	/nfs/dbraw/zinc/42/12/67/1075421267.db2.gz	RINMOQGGVPGZND-CQSZACIVSA-N	1	1	414.485	1.986	20	0		HDADMO
CS(=O)(=O)CCN1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000731651080	1075434027	/nfs/dbraw/zinc/43/40/27/1075434027.db2.gz	WBIUUNAZNLPDMG-IBGZPJMESA-N	1	1	407.580	1.524	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccsc2NC(=O)c2ccco2)CC1	ZINC000731655026	1075439480	/nfs/dbraw/zinc/43/94/80/1075439480.db2.gz	BXYXONCRDNMBCS-UHFFFAOYSA-N	1	1	404.492	1.876	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1	ZINC000731655668	1075439835	/nfs/dbraw/zinc/43/98/35/1075439835.db2.gz	XCLZSHWFPXJULI-UHFFFAOYSA-N	1	1	416.551	1.211	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(Br)cnc2Cl)CC1	ZINC000731655694	1075440200	/nfs/dbraw/zinc/44/02/00/1075440200.db2.gz	ZBRWHMLYWALGQV-UHFFFAOYSA-N	1	1	403.708	1.780	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676242998	1075444094	/nfs/dbraw/zinc/44/40/94/1075444094.db2.gz	QWUMELSMILAQBL-SNRMKQJTSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676242998	1075444097	/nfs/dbraw/zinc/44/40/97/1075444097.db2.gz	QWUMELSMILAQBL-SNRMKQJTSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676242550	1075444828	/nfs/dbraw/zinc/44/48/28/1075444828.db2.gz	XQJRKRNWWQEXSH-VQIMIIECSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676242550	1075444833	/nfs/dbraw/zinc/44/48/33/1075444833.db2.gz	XQJRKRNWWQEXSH-VQIMIIECSA-N	1	1	424.567	1.380	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000541361136	1075444890	/nfs/dbraw/zinc/44/48/90/1075444890.db2.gz	OGKUKNITSQCEAX-UHFFFAOYSA-N	1	1	405.543	1.940	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)C2)c1	ZINC000676246309	1075447777	/nfs/dbraw/zinc/44/77/77/1075447777.db2.gz	TYBKASRWJGQDIV-QINHECLXSA-N	1	1	406.527	1.548	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)c1	ZINC000676246309	1075447782	/nfs/dbraw/zinc/44/77/82/1075447782.db2.gz	TYBKASRWJGQDIV-QINHECLXSA-N	1	1	406.527	1.548	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1	ZINC000676231075	1075449478	/nfs/dbraw/zinc/44/94/78/1075449478.db2.gz	FCAZDIYCZHIBEV-MRXNPFEDSA-N	1	1	403.907	1.723	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1	ZINC000676231075	1075449481	/nfs/dbraw/zinc/44/94/81/1075449481.db2.gz	FCAZDIYCZHIBEV-MRXNPFEDSA-N	1	1	403.907	1.723	20	0		HDADMO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000731687008	1075449788	/nfs/dbraw/zinc/44/97/88/1075449788.db2.gz	DOTIWHFAQJQTOA-UHFFFAOYSA-N	1	1	401.486	1.470	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000731687008	1075449793	/nfs/dbraw/zinc/44/97/93/1075449793.db2.gz	DOTIWHFAQJQTOA-UHFFFAOYSA-N	1	1	401.486	1.470	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676255790	1075450532	/nfs/dbraw/zinc/45/05/32/1075450532.db2.gz	LHUIDLLXXZPNRK-BBRMVZONSA-N	1	1	405.524	1.974	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676255790	1075450533	/nfs/dbraw/zinc/45/05/33/1075450533.db2.gz	LHUIDLLXXZPNRK-BBRMVZONSA-N	1	1	405.524	1.974	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676256742	1075451539	/nfs/dbraw/zinc/45/15/39/1075451539.db2.gz	FWHNDTOEMPRCII-RHSMWYFYSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676256742	1075451543	/nfs/dbraw/zinc/45/15/43/1075451543.db2.gz	FWHNDTOEMPRCII-RHSMWYFYSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676257977	1075452650	/nfs/dbraw/zinc/45/26/50/1075452650.db2.gz	BBXIKTIUHQIIKF-VQIMIIECSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257977	1075452653	/nfs/dbraw/zinc/45/26/53/1075452653.db2.gz	BBXIKTIUHQIIKF-VQIMIIECSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676259051	1075453873	/nfs/dbraw/zinc/45/38/73/1075453873.db2.gz	QAGKFJUDVCLHQO-OXJNMPFZSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259051	1075453876	/nfs/dbraw/zinc/45/38/76/1075453876.db2.gz	QAGKFJUDVCLHQO-OXJNMPFZSA-N	1	1	417.531	1.961	20	0		HDADMO
CCCC[N@@H+](CCOC)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000731667995	1075454470	/nfs/dbraw/zinc/45/44/70/1075454470.db2.gz	ZFSXBIADMXZKSH-VCHYOVAHSA-N	1	1	423.579	1.880	20	0		HDADMO
C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258656	1075455313	/nfs/dbraw/zinc/45/53/13/1075455313.db2.gz	VOBDVMMVDNNPNS-RHSMWYFYSA-N	1	1	401.504	1.062	20	0		HDADMO
C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258656	1075455320	/nfs/dbraw/zinc/45/53/20/1075455320.db2.gz	VOBDVMMVDNNPNS-RHSMWYFYSA-N	1	1	401.504	1.062	20	0		HDADMO
C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259713	1075456339	/nfs/dbraw/zinc/45/63/39/1075456339.db2.gz	PDZZDBXBVMTERI-WBMJQRKESA-N	1	1	406.483	1.912	20	0		HDADMO
C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259713	1075456346	/nfs/dbraw/zinc/45/63/46/1075456346.db2.gz	PDZZDBXBVMTERI-WBMJQRKESA-N	1	1	406.483	1.912	20	0		HDADMO
C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@H]1C[N@H+](C)CCO1	ZINC000676259448	1075457074	/nfs/dbraw/zinc/45/70/74/1075457074.db2.gz	VNFFEAOUKGVMNR-UKRRQHHQSA-N	1	1	404.536	1.562	20	0		HDADMO
C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@H]1C[N@@H+](C)CCO1	ZINC000676259448	1075457079	/nfs/dbraw/zinc/45/70/79/1075457079.db2.gz	VNFFEAOUKGVMNR-UKRRQHHQSA-N	1	1	404.536	1.562	20	0		HDADMO
Cc1c(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000676264187	1075462296	/nfs/dbraw/zinc/46/22/96/1075462296.db2.gz	MTZZFTDIHUBHCC-HOCLYGCPSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1c(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000676264187	1075462304	/nfs/dbraw/zinc/46/23/04/1075462304.db2.gz	MTZZFTDIHUBHCC-HOCLYGCPSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1c(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000676264188	1075463403	/nfs/dbraw/zinc/46/34/03/1075463403.db2.gz	MTZZFTDIHUBHCC-ZBFHGGJFSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1c(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000676264188	1075463404	/nfs/dbraw/zinc/46/34/04/1075463404.db2.gz	MTZZFTDIHUBHCC-ZBFHGGJFSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1	ZINC000676264679	1075463433	/nfs/dbraw/zinc/46/34/33/1075463433.db2.gz	XLPRQDFFPUPIKH-RHSMWYFYSA-N	1	1	410.540	1.585	20	0		HDADMO
Cc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1	ZINC000676264679	1075463436	/nfs/dbraw/zinc/46/34/36/1075463436.db2.gz	XLPRQDFFPUPIKH-RHSMWYFYSA-N	1	1	410.540	1.585	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(n2cc(Br)cn2)CC1	ZINC000731684193	1075467514	/nfs/dbraw/zinc/46/75/14/1075467514.db2.gz	RGPAVGQMHSRPLJ-HZPDHXFCSA-N	1	1	412.332	1.855	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250737	1075467908	/nfs/dbraw/zinc/46/79/08/1075467908.db2.gz	IVXZYOLAXJASQL-ICSRJNTNSA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250737	1075467910	/nfs/dbraw/zinc/46/79/10/1075467910.db2.gz	IVXZYOLAXJASQL-ICSRJNTNSA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251910	1075468445	/nfs/dbraw/zinc/46/84/45/1075468445.db2.gz	SFFLRMZYRGWHTM-LIRRHRJNSA-N	1	1	418.494	1.495	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251910	1075468447	/nfs/dbraw/zinc/46/84/47/1075468447.db2.gz	SFFLRMZYRGWHTM-LIRRHRJNSA-N	1	1	418.494	1.495	20	0		HDADMO
C[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676250357	1075468510	/nfs/dbraw/zinc/46/85/10/1075468510.db2.gz	HALDBROEANEXEL-IUODEOHRSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250357	1075468512	/nfs/dbraw/zinc/46/85/12/1075468512.db2.gz	HALDBROEANEXEL-IUODEOHRSA-N	1	1	413.316	1.197	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1	ZINC000731685436	1075468595	/nfs/dbraw/zinc/46/85/95/1075468595.db2.gz	GQEHYVVRQZFHKA-UHFFFAOYSA-N	1	1	402.948	1.497	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1	ZINC000731685436	1075468601	/nfs/dbraw/zinc/46/86/01/1075468601.db2.gz	GQEHYVVRQZFHKA-UHFFFAOYSA-N	1	1	402.948	1.497	20	0		HDADMO
CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434807782	1075469883	/nfs/dbraw/zinc/46/98/83/1075469883.db2.gz	HELGIBMQWAYCGZ-CABCVRRESA-N	1	1	400.483	1.980	20	0		HDADMO
COc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)ccc1C	ZINC000676252653	1075469953	/nfs/dbraw/zinc/46/99/53/1075469953.db2.gz	RMNGUJIFJLFBCX-LPHOPBHVSA-N	1	1	404.511	1.190	20	0		HDADMO
COc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)ccc1C	ZINC000676252653	1075469956	/nfs/dbraw/zinc/46/99/56/1075469956.db2.gz	RMNGUJIFJLFBCX-LPHOPBHVSA-N	1	1	404.511	1.190	20	0		HDADMO
COc1cc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)ccc1C	ZINC000676252655	1075470124	/nfs/dbraw/zinc/47/01/24/1075470124.db2.gz	RMNGUJIFJLFBCX-VQIMIIECSA-N	1	1	404.511	1.190	20	0		HDADMO
COc1cc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)ccc1C	ZINC000676252655	1075470150	/nfs/dbraw/zinc/47/01/50/1075470150.db2.gz	RMNGUJIFJLFBCX-VQIMIIECSA-N	1	1	404.511	1.190	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252663	1075470179	/nfs/dbraw/zinc/47/01/79/1075470179.db2.gz	ROVYKRGOZJEHSI-PIYZVIGCSA-N	1	1	418.582	1.776	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252663	1075470184	/nfs/dbraw/zinc/47/01/84/1075470184.db2.gz	ROVYKRGOZJEHSI-PIYZVIGCSA-N	1	1	418.582	1.776	20	0		HDADMO
COCc1c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cnn1-c1ccccc1	ZINC000466724692	1075471193	/nfs/dbraw/zinc/47/11/93/1075471193.db2.gz	KNZNVORSFZSDRG-MRXNPFEDSA-N	1	1	400.479	1.728	20	0		HDADMO
COCc1c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cnn1-c1ccccc1	ZINC000466724692	1075471200	/nfs/dbraw/zinc/47/12/00/1075471200.db2.gz	KNZNVORSFZSDRG-MRXNPFEDSA-N	1	1	400.479	1.728	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676253198	1075471212	/nfs/dbraw/zinc/47/12/12/1075471212.db2.gz	ZELHGYDCSLWWKF-OXJNMPFZSA-N	1	1	404.511	1.004	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676253198	1075471215	/nfs/dbraw/zinc/47/12/15/1075471215.db2.gz	ZELHGYDCSLWWKF-OXJNMPFZSA-N	1	1	404.511	1.004	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676253998	1075471274	/nfs/dbraw/zinc/47/12/74/1075471274.db2.gz	CJKRGEDXXTYLMV-CRAIPNDOSA-N	1	1	410.540	1.702	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676253998	1075471278	/nfs/dbraw/zinc/47/12/78/1075471278.db2.gz	CJKRGEDXXTYLMV-CRAIPNDOSA-N	1	1	410.540	1.702	20	0		HDADMO
CCOCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1C	ZINC000676278148	1075476311	/nfs/dbraw/zinc/47/63/11/1075476311.db2.gz	FDLOQDPPLXZINV-VQIMIIECSA-N	1	1	407.511	1.322	20	0		HDADMO
CCOCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1C	ZINC000676278148	1075476313	/nfs/dbraw/zinc/47/63/13/1075476313.db2.gz	FDLOQDPPLXZINV-VQIMIIECSA-N	1	1	407.511	1.322	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676277761	1075477031	/nfs/dbraw/zinc/47/70/31/1075477031.db2.gz	AWZUGJBDQOILHE-KBXCAEBGSA-N	1	1	423.535	1.177	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277761	1075477033	/nfs/dbraw/zinc/47/70/33/1075477033.db2.gz	AWZUGJBDQOILHE-KBXCAEBGSA-N	1	1	423.535	1.177	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278977	1075479256	/nfs/dbraw/zinc/47/92/56/1075479256.db2.gz	LDMLCQZTTFFNPE-RHSMWYFYSA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278977	1075479258	/nfs/dbraw/zinc/47/92/58/1075479258.db2.gz	LDMLCQZTTFFNPE-RHSMWYFYSA-N	1	1	411.462	1.108	20	0		HDADMO
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676278766	1075479683	/nfs/dbraw/zinc/47/96/83/1075479683.db2.gz	JPVZHROQWZOQJR-NVXWUHKLSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676278766	1075479691	/nfs/dbraw/zinc/47/96/91/1075479691.db2.gz	JPVZHROQWZOQJR-NVXWUHKLSA-N	1	1	402.495	1.005	20	0		HDADMO
O=C(COC(=O)c1n[nH]c2c1CCCC2)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000731703512	1075480348	/nfs/dbraw/zinc/48/03/48/1075480348.db2.gz	QNHJVMWFPZEIEJ-UHFFFAOYSA-N	1	1	404.511	1.597	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1C(=O)N1CCCC1	ZINC000676278500	1075480934	/nfs/dbraw/zinc/48/09/34/1075480934.db2.gz	IYAVISDJAOMMPQ-MAUKXSAKSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1C(=O)N1CCCC1	ZINC000676278500	1075480937	/nfs/dbraw/zinc/48/09/37/1075480937.db2.gz	IYAVISDJAOMMPQ-MAUKXSAKSA-N	1	1	402.495	1.005	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278355	1075481033	/nfs/dbraw/zinc/48/10/33/1075481033.db2.gz	GKMVXDNILTVVAI-QAPCUYQASA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278355	1075481035	/nfs/dbraw/zinc/48/10/35/1075481035.db2.gz	GKMVXDNILTVVAI-QAPCUYQASA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676279754	1075483336	/nfs/dbraw/zinc/48/33/36/1075483336.db2.gz	PUKJYVNGCYPZBW-ZWNOBZJWSA-N	1	1	409.393	1.448	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279754	1075483340	/nfs/dbraw/zinc/48/33/40/1075483340.db2.gz	PUKJYVNGCYPZBW-ZWNOBZJWSA-N	1	1	409.393	1.448	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676279743	1075483372	/nfs/dbraw/zinc/48/33/72/1075483372.db2.gz	PPLLWQCKPBJRSG-BMIGLBTASA-N	1	1	416.400	1.438	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676279743	1075483375	/nfs/dbraw/zinc/48/33/75/1075483375.db2.gz	PPLLWQCKPBJRSG-BMIGLBTASA-N	1	1	416.400	1.438	20	0		HDADMO
CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676279450	1075484490	/nfs/dbraw/zinc/48/44/90/1075484490.db2.gz	NSPSMXAAXYPZJJ-CJNGLKHVSA-N	1	1	413.902	1.529	20	0		HDADMO
CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279450	1075484494	/nfs/dbraw/zinc/48/44/94/1075484494.db2.gz	NSPSMXAAXYPZJJ-CJNGLKHVSA-N	1	1	413.902	1.529	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279358	1075484557	/nfs/dbraw/zinc/48/45/57/1075484557.db2.gz	OQAUFTWGGUHJPW-KUHUBIRLSA-N	1	1	416.453	1.574	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279358	1075484558	/nfs/dbraw/zinc/48/45/58/1075484558.db2.gz	OQAUFTWGGUHJPW-KUHUBIRLSA-N	1	1	416.453	1.574	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280956	1075485079	/nfs/dbraw/zinc/48/50/79/1075485079.db2.gz	LAIQTIFNDKUHNZ-KXBFYZLASA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280956	1075485080	/nfs/dbraw/zinc/48/50/80/1075485080.db2.gz	LAIQTIFNDKUHNZ-KXBFYZLASA-N	1	1	410.474	1.713	20	0		HDADMO
CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)c2C1	ZINC000676280579	1075486089	/nfs/dbraw/zinc/48/60/89/1075486089.db2.gz	JQEFMFREUBUMAX-TWOQFEAHSA-N	1	1	402.539	1.821	20	0		HDADMO
COc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cn2)cc1	ZINC000676280342	1075487257	/nfs/dbraw/zinc/48/72/57/1075487257.db2.gz	RUIQRYRCYNIFQR-RDTXWAMCSA-N	1	1	414.462	1.656	20	0		HDADMO
COc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cn2)cc1	ZINC000676280342	1075487259	/nfs/dbraw/zinc/48/72/59/1075487259.db2.gz	RUIQRYRCYNIFQR-RDTXWAMCSA-N	1	1	414.462	1.656	20	0		HDADMO
COCc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676281983	1075487751	/nfs/dbraw/zinc/48/77/51/1075487751.db2.gz	OQJYQKVUKVWNCA-ABAIWWIYSA-N	1	1	414.300	1.369	20	0		HDADMO
COCc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281983	1075487753	/nfs/dbraw/zinc/48/77/53/1075487753.db2.gz	OQJYQKVUKVWNCA-ABAIWWIYSA-N	1	1	414.300	1.369	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@H]1C[N@H+](C)CCO1	ZINC000676281312	1075489103	/nfs/dbraw/zinc/48/91/03/1075489103.db2.gz	VTBXYDSRBPWWIA-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@H]1C[N@@H+](C)CCO1	ZINC000676281312	1075489105	/nfs/dbraw/zinc/48/91/05/1075489105.db2.gz	VTBXYDSRBPWWIA-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676281369	1075489268	/nfs/dbraw/zinc/48/92/68/1075489268.db2.gz	VZRYMWMNIMOVQT-CXAGYDPISA-N	1	1	405.886	1.359	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281369	1075489271	/nfs/dbraw/zinc/48/92/71/1075489271.db2.gz	VZRYMWMNIMOVQT-CXAGYDPISA-N	1	1	405.886	1.359	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676282759	1075489582	/nfs/dbraw/zinc/48/95/82/1075489582.db2.gz	VFNGNQADPNIIRL-YYAJDYIMSA-N	1	1	404.511	1.074	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676282759	1075489584	/nfs/dbraw/zinc/48/95/84/1075489584.db2.gz	VFNGNQADPNIIRL-YYAJDYIMSA-N	1	1	404.511	1.074	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1C[N@H+](C)CCO1	ZINC000676287063	1075491190	/nfs/dbraw/zinc/49/11/90/1075491190.db2.gz	NOJSWSZFNLGNMM-ZNMIVQPWSA-N	1	1	401.554	1.127	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676287063	1075491194	/nfs/dbraw/zinc/49/11/94/1075491194.db2.gz	NOJSWSZFNLGNMM-ZNMIVQPWSA-N	1	1	401.554	1.127	20	0		HDADMO
COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)N2CCOCC2)cc1	ZINC000676289067	1075492350	/nfs/dbraw/zinc/49/23/50/1075492350.db2.gz	KZTLNNPENUMEHN-FFZOFVMBSA-N	1	1	406.527	1.087	20	0		HDADMO
COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)N2CCOCC2)cc1	ZINC000676289067	1075492351	/nfs/dbraw/zinc/49/23/51/1075492351.db2.gz	KZTLNNPENUMEHN-FFZOFVMBSA-N	1	1	406.527	1.087	20	0		HDADMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1	ZINC000676288987	1075492360	/nfs/dbraw/zinc/49/23/60/1075492360.db2.gz	HWZBRGIOMUCGBB-IBGZPJMESA-N	1	1	415.582	1.976	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC[N@@H+]1CCO	ZINC000429420336	1075496554	/nfs/dbraw/zinc/49/65/54/1075496554.db2.gz	SLEFCYRUCLSVCL-NVXWUHKLSA-N	1	1	411.524	1.170	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC[N@H+]1CCO	ZINC000429420336	1075496557	/nfs/dbraw/zinc/49/65/57/1075496557.db2.gz	SLEFCYRUCLSVCL-NVXWUHKLSA-N	1	1	411.524	1.170	20	0		HDADMO
C[C@@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676293065	1075496651	/nfs/dbraw/zinc/49/66/51/1075496651.db2.gz	SHRYYSWWEMVDFU-QAPCUYQASA-N	1	1	423.945	1.007	20	0		HDADMO
C[C@@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676293065	1075496653	/nfs/dbraw/zinc/49/66/53/1075496653.db2.gz	SHRYYSWWEMVDFU-QAPCUYQASA-N	1	1	423.945	1.007	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676294065	1075497288	/nfs/dbraw/zinc/49/72/88/1075497288.db2.gz	VVYNLPACPLHLKW-SNRMKQJTSA-N	1	1	404.511	1.114	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676294065	1075497291	/nfs/dbraw/zinc/49/72/91/1075497291.db2.gz	VVYNLPACPLHLKW-SNRMKQJTSA-N	1	1	404.511	1.114	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1	ZINC000676295052	1075498474	/nfs/dbraw/zinc/49/84/74/1075498474.db2.gz	OEFDEAZKHYDSHT-UHFFFAOYSA-N	1	1	423.602	1.216	20	0		HDADMO
C[C@@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676298468	1075500846	/nfs/dbraw/zinc/50/08/46/1075500846.db2.gz	XQGQHBLQTNMVJX-YLJYHZDGSA-N	1	1	402.539	1.486	20	0		HDADMO
C[C@@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676298468	1075500849	/nfs/dbraw/zinc/50/08/49/1075500849.db2.gz	XQGQHBLQTNMVJX-YLJYHZDGSA-N	1	1	402.539	1.486	20	0		HDADMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)CC1	ZINC000472899789	1075501480	/nfs/dbraw/zinc/50/14/80/1075501480.db2.gz	KQYGZYLCTYCCBE-HKUYNNGSSA-N	1	1	413.522	1.654	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c2cccs2)CC1	ZINC000676335282	1075510949	/nfs/dbraw/zinc/51/09/49/1075510949.db2.gz	FHPUMQCQIKIZNQ-ZBFHGGJFSA-N	1	1	416.613	1.117	20	0		HDADMO
C[NH+]1CCN(CC(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1	ZINC000676350108	1075520980	/nfs/dbraw/zinc/52/09/80/1075520980.db2.gz	OTMWMMDPJQONQS-UHFFFAOYSA-N	1	1	411.344	1.149	20	0		HDADMO
C[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676333373	1075523809	/nfs/dbraw/zinc/52/38/09/1075523809.db2.gz	LFLRAUKVJQLVKW-PXNSSMCTSA-N	1	1	402.539	1.786	20	0		HDADMO
C[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676333373	1075523818	/nfs/dbraw/zinc/52/38/18/1075523818.db2.gz	LFLRAUKVJQLVKW-PXNSSMCTSA-N	1	1	402.539	1.786	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1	ZINC000731826829	1075525711	/nfs/dbraw/zinc/52/57/11/1075525711.db2.gz	MBFCZAITJGXHJY-VUZIPCMWSA-N	1	1	421.563	1.224	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC[N@@H+]1CCO	ZINC000429428322	1075527662	/nfs/dbraw/zinc/52/76/62/1075527662.db2.gz	PBLFSUSYYPTTCA-CYBMUJFWSA-N	1	1	416.519	1.433	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC[N@H+]1CCO	ZINC000429428322	1075527667	/nfs/dbraw/zinc/52/76/67/1075527667.db2.gz	PBLFSUSYYPTTCA-CYBMUJFWSA-N	1	1	416.519	1.433	20	0		HDADMO
C[C@@](CO)([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1	ZINC000731845093	1075529953	/nfs/dbraw/zinc/52/99/53/1075529953.db2.gz	XOTSPJGEZFMCOM-GOTSBHOMSA-N	1	1	424.501	1.458	20	0		HDADMO
C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731846643	1075529991	/nfs/dbraw/zinc/52/99/91/1075529991.db2.gz	LCCDHMMHPXKHSX-KRWDZBQOSA-N	1	1	416.570	1.091	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCCO)Cc1cccc(Cl)c1	ZINC000676385929	1075533776	/nfs/dbraw/zinc/53/37/76/1075533776.db2.gz	IGFFEKPTROBOSN-FQEVSTJZSA-N	1	1	424.973	1.641	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1	ZINC000676388611	1075534848	/nfs/dbraw/zinc/53/48/48/1075534848.db2.gz	PMWWKBQWGWZLIK-ZWKOTPCHSA-N	1	1	424.339	1.950	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC[N@@H+]1CCO	ZINC000429434562	1075535842	/nfs/dbraw/zinc/53/58/42/1075535842.db2.gz	SJKNCZYGIIRIFD-MAUKXSAKSA-N	1	1	405.499	1.517	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC[N@H+]1CCO	ZINC000429434562	1075535846	/nfs/dbraw/zinc/53/58/46/1075535846.db2.gz	SJKNCZYGIIRIFD-MAUKXSAKSA-N	1	1	405.499	1.517	20	0		HDADMO
C[C@@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676402235	1075544277	/nfs/dbraw/zinc/54/42/77/1075544277.db2.gz	RFNHOPBLYLXIKX-KDOFPFPSSA-N	1	1	414.531	1.922	20	0		HDADMO
C[C@@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676402235	1075544279	/nfs/dbraw/zinc/54/42/79/1075544279.db2.gz	RFNHOPBLYLXIKX-KDOFPFPSSA-N	1	1	414.531	1.922	20	0		HDADMO
CS(=O)(=O)c1ccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nc1	ZINC000561192920	1075545449	/nfs/dbraw/zinc/54/54/49/1075545449.db2.gz	ADDQGBJCIGREPU-QGZVFWFLSA-N	1	1	402.520	1.795	20	0		HDADMO
O=C(Cn1cc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1)NC1CCCC1	ZINC000676424191	1075545729	/nfs/dbraw/zinc/54/57/29/1075545729.db2.gz	RYNRUPIISADIDU-IBGZPJMESA-N	1	1	403.527	1.269	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1	ZINC000731843369	1075547323	/nfs/dbraw/zinc/54/73/23/1075547323.db2.gz	RDBMYQAIBREEGZ-IBGZPJMESA-N	1	1	413.566	1.619	20	0		HDADMO
O=C(CC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000731842899	1075548136	/nfs/dbraw/zinc/54/81/36/1075548136.db2.gz	JYXNYMQWCJNYLH-DGCLKSJQSA-N	1	1	406.405	1.050	20	0		HDADMO
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)C1=O	ZINC000731842953	1075548514	/nfs/dbraw/zinc/54/85/14/1075548514.db2.gz	LGSLDCJYEKSTRY-OAQYLSRUSA-N	1	1	404.511	1.605	20	0		HDADMO
Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2)cc1	ZINC000731878067	1075550040	/nfs/dbraw/zinc/55/00/40/1075550040.db2.gz	FIZZWVRQTSQNTP-QZTJIDSGSA-N	1	1	403.504	1.627	20	0		HDADMO
O=C(N1CCO[C@@H](c2nn[nH]n2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000731880612	1075550830	/nfs/dbraw/zinc/55/08/30/1075550830.db2.gz	RMHLLDAYRGCYDS-PBHICJAKSA-N	1	1	410.400	1.554	20	0		HDADMO
O=C(N1CCO[C@@H](c2nn[nH]n2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000731880612	1075550832	/nfs/dbraw/zinc/55/08/32/1075550832.db2.gz	RMHLLDAYRGCYDS-PBHICJAKSA-N	1	1	410.400	1.554	20	0		HDADMO
CC(C)[N@H+]1CCC[C@@H](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804149546	1075551803	/nfs/dbraw/zinc/55/18/03/1075551803.db2.gz	PPFNSQYUNHMZEV-QRWLVFNGSA-N	1	1	407.536	1.978	20	0		HDADMO
Cc1nnc(NC(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)s1	ZINC000437579135	1075555257	/nfs/dbraw/zinc/55/52/57/1075555257.db2.gz	KUGGARNLFOOCEQ-UHFFFAOYSA-N	1	1	416.551	2.339	20	0		HDADMO
C[C@H](CC(=O)NC[C@@H](c1ccco1)[NH+](C)C)NS(=O)(=O)c1cccnc1Cl	ZINC000731890841	1075558000	/nfs/dbraw/zinc/55/80/00/1075558000.db2.gz	HAVCGUXHQJQELV-OLZOCXBDSA-N	1	1	414.915	1.804	20	0		HDADMO
CN1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1	ZINC000676451563	1075558255	/nfs/dbraw/zinc/55/82/55/1075558255.db2.gz	FTBJNDBWOIORIM-RBUKOAKNSA-N	1	1	410.522	1.479	20	0		HDADMO
CN1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000676451563	1075558261	/nfs/dbraw/zinc/55/82/61/1075558261.db2.gz	FTBJNDBWOIORIM-RBUKOAKNSA-N	1	1	410.522	1.479	20	0		HDADMO
CN(C(=O)NCCC1(O)CCOCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000509416855	1075565774	/nfs/dbraw/zinc/56/57/74/1075565774.db2.gz	NUFNMGWGHHONLH-UXHICEINSA-N	1	1	410.603	1.897	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)CCO2	ZINC000676496791	1075569090	/nfs/dbraw/zinc/56/90/90/1075569090.db2.gz	YIYBMQJVWZNBIA-VQIMIIECSA-N	1	1	417.506	1.206	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000504542760	1075570244	/nfs/dbraw/zinc/57/02/44/1075570244.db2.gz	UUWWEVXKCMFQRF-LJQANCHMSA-N	1	1	402.520	1.833	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)CCn2cnc3ccccc3c2=O)CC1	ZINC000731919646	1075571020	/nfs/dbraw/zinc/57/10/20/1075571020.db2.gz	ZGOUKJBVSBVILL-UHFFFAOYSA-N	1	1	401.463	1.605	20	0		HDADMO
C[C@@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1	ZINC000731942127	1075572248	/nfs/dbraw/zinc/57/22/48/1075572248.db2.gz	IEOVBWNTGMWVEJ-HNNXBMFYSA-N	1	1	406.577	1.819	20	0		HDADMO
C[C@@H](CNC(=O)NCCCNc1ccc(C(F)(F)F)cn1)CN1CC[NH+](C)CC1	ZINC000465536304	1075573735	/nfs/dbraw/zinc/57/37/35/1075573735.db2.gz	BFHJFTSUIRUACD-HNNXBMFYSA-N	1	1	416.492	2.085	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC[C@@H]3C[N@@H+](C)CC[C@@H]31)CCO2	ZINC000676513600	1075575032	/nfs/dbraw/zinc/57/50/32/1075575032.db2.gz	QHNNUPMRIPZZMJ-LZQZEXGQSA-N	1	1	401.507	1.968	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2	ZINC000676521994	1075576577	/nfs/dbraw/zinc/57/65/77/1075576577.db2.gz	DRMUZFYZISRSQH-FCEWJHQRSA-N	1	1	419.522	1.641	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1)C1CC1	ZINC000804221562	1075578077	/nfs/dbraw/zinc/57/80/77/1075578077.db2.gz	NZGWNOSZBCPFLJ-KRWDZBQOSA-N	1	1	424.339	1.950	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000676539754	1075579996	/nfs/dbraw/zinc/57/99/96/1075579996.db2.gz	DUIVKLRHVKXMAV-FZKQIMNGSA-N	1	1	410.515	1.631	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C(=O)N1c1cnn(C)c1	ZINC000676542123	1075580273	/nfs/dbraw/zinc/58/02/73/1075580273.db2.gz	JBIUXZLECKPCNO-LVFSCSRESA-N	1	1	400.527	1.572	20	0		HDADMO
COc1ccccc1OCCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000731977704	1075581632	/nfs/dbraw/zinc/58/16/32/1075581632.db2.gz	RHIWHVVUTWOTSV-HXUWFJFHSA-N	1	1	419.522	1.246	20	0		HDADMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000509421687	1075582511	/nfs/dbraw/zinc/58/25/11/1075582511.db2.gz	ZXLBQRZGODORCW-RTBURBONSA-N	1	1	400.567	1.751	20	0		HDADMO
C[C@@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[N@H+](C)Cc1ccccc1	ZINC000732002659	1075584403	/nfs/dbraw/zinc/58/44/03/1075584403.db2.gz	ZIOOKGUWFVCYDG-INIZCTEOSA-N	1	1	414.531	1.704	20	0		HDADMO
C[C@@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+](C)Cc1ccccc1	ZINC000732002659	1075584407	/nfs/dbraw/zinc/58/44/07/1075584407.db2.gz	ZIOOKGUWFVCYDG-INIZCTEOSA-N	1	1	414.531	1.704	20	0		HDADMO
CN(C(=O)C(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446846267	1075587400	/nfs/dbraw/zinc/58/74/00/1075587400.db2.gz	XHZPRCDQUFCXAB-OAHLLOKOSA-N	1	1	401.536	2.507	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cnnn1	ZINC000676555715	1075589134	/nfs/dbraw/zinc/58/91/34/1075589134.db2.gz	GLXHYZOAHUPTLV-KXBFYZLASA-N	1	1	409.494	1.385	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000732066596	1075600740	/nfs/dbraw/zinc/60/07/40/1075600740.db2.gz	SNBMUAIOBPTKKO-ARJAWSKDSA-N	1	1	408.506	1.178	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1	ZINC000732095284	1075610408	/nfs/dbraw/zinc/61/04/08/1075610408.db2.gz	CIODQNUVLUNCCR-UHFFFAOYSA-N	1	1	404.536	1.402	20	0		HDADMO
O=C(NCCOc1ncccc1C(F)(F)F)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000676611249	1075614737	/nfs/dbraw/zinc/61/47/37/1075614737.db2.gz	MZAKDAQIECVPSD-AWEZNQCLSA-N	1	1	402.417	1.985	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCOc3ncccc3C(F)(F)F)CC2)C1	ZINC000676610910	1075615118	/nfs/dbraw/zinc/61/51/18/1075615118.db2.gz	GPAPSNIJEPDDMS-HNNXBMFYSA-N	1	1	415.460	1.901	20	0		HDADMO
O=C(Nc1ccc2c(cnn2C(F)F)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000676617735	1075617864	/nfs/dbraw/zinc/61/78/64/1075617864.db2.gz	BIERQTPTMHVWDA-CYBMUJFWSA-N	1	1	407.421	1.551	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@@H]([C@@H](C)O)C3)cc2)CC1	ZINC000676622063	1075621043	/nfs/dbraw/zinc/62/10/43/1075621043.db2.gz	ICXVCVCQEDEMCB-SJLPKXTDSA-N	1	1	416.522	1.022	20	0		HDADMO
CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676627850	1075624024	/nfs/dbraw/zinc/62/40/24/1075624024.db2.gz	WTYAYNXJRBFEBL-FUDKSRODSA-N	1	1	407.514	1.963	20	0		HDADMO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCN(c2ccccn2)CC1	ZINC000676624615	1075629517	/nfs/dbraw/zinc/62/95/17/1075629517.db2.gz	FNARQMCEARFELR-HSALFYBXSA-N	1	1	401.555	1.304	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1	ZINC000434725364	1075636115	/nfs/dbraw/zinc/63/61/15/1075636115.db2.gz	ATIILJUBJUZCGF-KBPBESRZSA-N	1	1	417.489	1.700	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1	ZINC000434725364	1075636117	/nfs/dbraw/zinc/63/61/17/1075636117.db2.gz	ATIILJUBJUZCGF-KBPBESRZSA-N	1	1	417.489	1.700	20	0		HDADMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc4c(cc3OC(F)F)OCO4)[C@@H]2C1	ZINC000676669339	1075638082	/nfs/dbraw/zinc/63/80/82/1075638082.db2.gz	SIHBSKFPOIRIQP-DGCLKSJQSA-N	1	1	411.405	1.186	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(CN2CCCC[C@H]2C[NH+]2CCOCC2)n1	ZINC000448086891	1075640874	/nfs/dbraw/zinc/64/08/74/1075640874.db2.gz	HYZNJKZBKOTECS-INIZCTEOSA-N	1	1	413.526	1.315	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCc2nncn2C2CC2)C[C@@H](C)O1	ZINC000429457100	1075643570	/nfs/dbraw/zinc/64/35/70/1075643570.db2.gz	VMCDXOPNHQAJOV-HUUCEWRRSA-N	1	1	412.494	1.477	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732165456	1075643777	/nfs/dbraw/zinc/64/37/77/1075643777.db2.gz	GNLZNRXYAOLSLL-XZXCKGAHSA-N	1	1	410.518	1.485	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O	ZINC000732149728	1075649763	/nfs/dbraw/zinc/64/97/63/1075649763.db2.gz	NSLUSVSPMVWEOQ-MRXNPFEDSA-N	1	1	411.531	1.487	20	0		HDADMO
CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cn2)CC1	ZINC000676699025	1075650869	/nfs/dbraw/zinc/65/08/69/1075650869.db2.gz	ZDZUGTUHTASSGC-SFHVURJKSA-N	1	1	421.567	1.509	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)CC2)cc1	ZINC000429458434	1075651185	/nfs/dbraw/zinc/65/11/85/1075651185.db2.gz	YEFOUGYPGIKFIP-YVWKXTFCSA-N	1	1	400.523	1.922	20	0		HDADMO
COc1ccc(-c2noc(CN3CCN([C@H]4CCC[N@@H+](C)C4)CC3)n2)c(OC)c1	ZINC000676701383	1075651302	/nfs/dbraw/zinc/65/13/02/1075651302.db2.gz	CJMWZPYYFDHXGA-INIZCTEOSA-N	1	1	401.511	1.966	20	0		HDADMO
COc1ccc(COC[C@@H](O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1OC	ZINC000676701257	1075651658	/nfs/dbraw/zinc/65/16/58/1075651658.db2.gz	BLVJXHYFTLGIAF-PMACEKPBSA-N	1	1	407.555	1.293	20	0		HDADMO
CC(=O)N[C@H]1Cc2ccccc2N(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1	ZINC000676717983	1075654591	/nfs/dbraw/zinc/65/45/91/1075654591.db2.gz	SPVUNDRSVYEERQ-PMACEKPBSA-N	1	1	402.539	1.027	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCc3ccccc3[C@@H]2C(N)=O)CC1	ZINC000676704039	1075655902	/nfs/dbraw/zinc/65/59/02/1075655902.db2.gz	LBGMIONYHSZRSM-FDDCHVKYSA-N	1	1	406.530	1.977	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)CC1	ZINC000732180511	1075662455	/nfs/dbraw/zinc/66/24/55/1075662455.db2.gz	KKIPCNZKPGULQX-QFIPXVFZSA-N	1	1	400.523	1.772	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1	ZINC000732180582	1075662461	/nfs/dbraw/zinc/66/24/61/1075662461.db2.gz	PRZUYECEFZOWJT-KRWDZBQOSA-N	1	1	400.932	1.780	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)CC1	ZINC000732181131	1075662998	/nfs/dbraw/zinc/66/29/98/1075662998.db2.gz	YSIXQYHDYLYBBW-IBGZPJMESA-N	1	1	412.893	1.858	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+]2CCC[C@H](C(=O)NC)C2)=NC(=O)N[C@H]1c1ccccc1	ZINC000732207589	1075665085	/nfs/dbraw/zinc/66/50/85/1075665085.db2.gz	XEVLRZKXTVVLHQ-YJBOKZPZSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1C(C[N@H+]2CCC[C@H](C(=O)NC)C2)=NC(=O)N[C@H]1c1ccccc1	ZINC000732207589	1075665088	/nfs/dbraw/zinc/66/50/88/1075665088.db2.gz	XEVLRZKXTVVLHQ-YJBOKZPZSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)NC)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000732207589	1075665090	/nfs/dbraw/zinc/66/50/90/1075665090.db2.gz	XEVLRZKXTVVLHQ-YJBOKZPZSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)NC)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000732207589	1075665094	/nfs/dbraw/zinc/66/50/94/1075665094.db2.gz	XEVLRZKXTVVLHQ-YJBOKZPZSA-N	1	1	400.479	1.316	20	0		HDADMO
O=C(CC[N@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000732211678	1075667950	/nfs/dbraw/zinc/66/79/50/1075667950.db2.gz	LNFIMMNTYJXWGZ-FQEVSTJZSA-N	1	1	400.523	1.939	20	0		HDADMO
COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1	ZINC000732211658	1075668408	/nfs/dbraw/zinc/66/84/08/1075668408.db2.gz	LCXXGJWRRMGUTB-GOSISDBHSA-N	1	1	416.522	1.569	20	0		HDADMO
COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1	ZINC000732211658	1075668410	/nfs/dbraw/zinc/66/84/10/1075668410.db2.gz	LCXXGJWRRMGUTB-GOSISDBHSA-N	1	1	416.522	1.569	20	0		HDADMO
COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1	ZINC000732211659	1075668465	/nfs/dbraw/zinc/66/84/65/1075668465.db2.gz	LCXXGJWRRMGUTB-SFHVURJKSA-N	1	1	416.522	1.569	20	0		HDADMO
COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1	ZINC000732211659	1075668467	/nfs/dbraw/zinc/66/84/67/1075668467.db2.gz	LCXXGJWRRMGUTB-SFHVURJKSA-N	1	1	416.522	1.569	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)CC1	ZINC000732213115	1075669236	/nfs/dbraw/zinc/66/92/36/1075669236.db2.gz	QQJVDZFUXAUPAN-FQEVSTJZSA-N	1	1	420.598	1.864	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2cnc(C(=O)OC(C)(C)C)cn2)C1	ZINC000557664328	1075670284	/nfs/dbraw/zinc/67/02/84/1075670284.db2.gz	PXOYOWMYHAPJCL-CYBMUJFWSA-N	1	1	401.471	1.220	20	0		HDADMO
CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1	ZINC000676738593	1075670985	/nfs/dbraw/zinc/67/09/85/1075670985.db2.gz	BBINTHOEVYYLNB-LPHOPBHVSA-N	1	1	407.561	1.967	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C1	ZINC000559024614	1075671565	/nfs/dbraw/zinc/67/15/65/1075671565.db2.gz	OWLZNQMSPPWAQC-HNNXBMFYSA-N	1	1	400.483	2.147	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C1	ZINC000559024614	1075671567	/nfs/dbraw/zinc/67/15/67/1075671567.db2.gz	OWLZNQMSPPWAQC-HNNXBMFYSA-N	1	1	400.483	2.147	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OS(=O)(=O)CCCOC)CC1	ZINC000732218797	1075672521	/nfs/dbraw/zinc/67/25/21/1075672521.db2.gz	MCQGRLPRELNWAT-UHFFFAOYSA-N	1	1	404.916	1.863	20	0		HDADMO
C[NH+]1CCN(CC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CC1	ZINC000732262552	1075689445	/nfs/dbraw/zinc/68/94/45/1075689445.db2.gz	DDQLETIPKRUZGM-UHFFFAOYSA-N	1	1	401.536	1.833	20	0		HDADMO
COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000584303721	1075693721	/nfs/dbraw/zinc/69/37/21/1075693721.db2.gz	LXFREAHRFPPUDW-IAGOWNOFSA-N	1	1	400.479	1.889	20	0		HDADMO
COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000584303721	1075693724	/nfs/dbraw/zinc/69/37/24/1075693724.db2.gz	LXFREAHRFPPUDW-IAGOWNOFSA-N	1	1	400.479	1.889	20	0		HDADMO
CC(C)n1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1	ZINC001084996713	1075696669	/nfs/dbraw/zinc/69/66/69/1075696669.db2.gz	XIIHEKQJFIIOEH-GZSKETOLSA-N	1	1	402.539	1.938	20	0		HDADMO
CC(C)n1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1	ZINC001084996713	1075696672	/nfs/dbraw/zinc/69/66/72/1075696672.db2.gz	XIIHEKQJFIIOEH-GZSKETOLSA-N	1	1	402.539	1.938	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1	ZINC000485007006	1075701081	/nfs/dbraw/zinc/70/10/81/1075701081.db2.gz	BJXVKUNZNOBYLC-QGZVFWFLSA-N	1	1	411.554	1.771	20	0		HDADMO
COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000481751627	1075701493	/nfs/dbraw/zinc/70/14/93/1075701493.db2.gz	RGTKMURXZMNJKJ-SUMWQHHRSA-N	1	1	405.886	1.838	20	0		HDADMO
COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000481751627	1075701499	/nfs/dbraw/zinc/70/14/99/1075701499.db2.gz	RGTKMURXZMNJKJ-SUMWQHHRSA-N	1	1	405.886	1.838	20	0		HDADMO
C[C@@H]1C[N@H+](CCCNC(=O)NCCNc2ccc(-c3ccccc3)nn2)C[C@H](C)O1	ZINC000443655200	1075701782	/nfs/dbraw/zinc/70/17/82/1075701782.db2.gz	YDSFECVHBRGXTA-HDICACEKSA-N	1	1	412.538	2.354	20	0		HDADMO
COc1cc2[nH+]c(NC[C@@H](O)COc3ccc4c(c3)OCO4)nc(N)c2cc1OC	ZINC000480450356	1075702376	/nfs/dbraw/zinc/70/23/76/1075702376.db2.gz	SZIYAMJJGILVEX-LLVKDONJSA-N	1	1	414.418	1.232	20	0		HDADMO
C[C@@H]1[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)CC[N@H+]1Cc1ccccc1	ZINC000568549692	1075707034	/nfs/dbraw/zinc/70/70/34/1075707034.db2.gz	KSTCDKLQJFSNDW-GDBMZVCRSA-N	1	1	401.540	1.615	20	0		HDADMO
C[C@@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000732339646	1075709876	/nfs/dbraw/zinc/70/98/76/1075709876.db2.gz	QSDLLHDPUVHMTN-PBHICJAKSA-N	1	1	421.453	1.506	20	0		HDADMO
COC(C)(C)C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439144	1075714121	/nfs/dbraw/zinc/71/41/21/1075714121.db2.gz	OBHHMMTXVGICTE-ROUUACIJSA-N	1	1	404.555	1.633	20	0		HDADMO
C[N@@H+](CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C1(CO)CCC1	ZINC000429259161	1075716403	/nfs/dbraw/zinc/71/64/03/1075716403.db2.gz	XPHGITRNRQVIFM-UHFFFAOYSA-N	1	1	421.563	1.597	20	0		HDADMO
CCc1cnccc1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509438453	1075717331	/nfs/dbraw/zinc/71/73/31/1075717331.db2.gz	CAEPZMTYKUFFDC-GOSISDBHSA-N	1	1	409.534	1.587	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1	ZINC000485301104	1075718930	/nfs/dbraw/zinc/71/89/30/1075718930.db2.gz	BXOOEYGRFBDMAH-KRWDZBQOSA-N	1	1	411.554	1.771	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O	ZINC000509439703	1075720854	/nfs/dbraw/zinc/72/08/54/1075720854.db2.gz	QDIQBVSVNXLVTF-SBHAEUEKSA-N	1	1	416.566	1.323	20	0		HDADMO
CCC1(CO)CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000509442072	1075727419	/nfs/dbraw/zinc/72/74/19/1075727419.db2.gz	MNPKUIMUYBGPEZ-IBGZPJMESA-N	1	1	416.566	1.324	20	0		HDADMO
CCN(Cc1ccccn1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509441898	1075728543	/nfs/dbraw/zinc/72/85/43/1075728543.db2.gz	LNBTZBSKVZRTNC-IBGZPJMESA-N	1	1	409.534	1.757	20	0		HDADMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509258570	1075730925	/nfs/dbraw/zinc/73/09/25/1075730925.db2.gz	MXIAWKKWWIJQAT-JKSUJKDBSA-N	1	1	414.597	1.742	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000732418190	1075733016	/nfs/dbraw/zinc/73/30/16/1075733016.db2.gz	RHSNAOXYPRIOIJ-UHFFFAOYSA-N	1	1	404.483	1.832	20	0		HDADMO
Cc1sc(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)nc1C(C)C	ZINC000443427768	1075733854	/nfs/dbraw/zinc/73/38/54/1075733854.db2.gz	IZZTUZRSZQRMPH-CQSZACIVSA-N	1	1	419.555	2.069	20	0		HDADMO
Cc1sc(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)nc1C(C)C	ZINC000443427768	1075733857	/nfs/dbraw/zinc/73/38/57/1075733857.db2.gz	IZZTUZRSZQRMPH-CQSZACIVSA-N	1	1	419.555	2.069	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCOC(C)(C)[C@H]1C	ZINC000509442589	1075737533	/nfs/dbraw/zinc/73/75/33/1075737533.db2.gz	QXFOITBSGOOEGV-ZWKOTPCHSA-N	1	1	402.539	1.339	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732412989	1075739048	/nfs/dbraw/zinc/73/90/48/1075739048.db2.gz	NVFMCFSBNFUOKB-UXHICEINSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732412989	1075739051	/nfs/dbraw/zinc/73/90/51/1075739051.db2.gz	NVFMCFSBNFUOKB-UXHICEINSA-N	1	1	413.518	1.590	20	0		HDADMO
COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732413392	1075739121	/nfs/dbraw/zinc/73/91/21/1075739121.db2.gz	TWVAAUXCVSSKST-KRWDZBQOSA-N	1	1	416.522	1.381	20	0		HDADMO
COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732413392	1075739124	/nfs/dbraw/zinc/73/91/24/1075739124.db2.gz	TWVAAUXCVSSKST-KRWDZBQOSA-N	1	1	416.522	1.381	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)CC2)oc1C	ZINC000429477780	1075743236	/nfs/dbraw/zinc/74/32/36/1075743236.db2.gz	QXSBYNQWBQCVBT-FSPWUOQZSA-N	1	1	403.527	1.812	20	0		HDADMO
Nc1ccc2c(ncnc2NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)n1	ZINC000556411361	1075743552	/nfs/dbraw/zinc/74/35/52/1075743552.db2.gz	CTLDSKBGGIFSSD-UHFFFAOYSA-N	1	1	407.478	1.880	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000732432522	1075743928	/nfs/dbraw/zinc/74/39/28/1075743928.db2.gz	KYAHUYPLAJMZDN-UHFFFAOYSA-N	1	1	423.539	1.034	20	0		HDADMO
CCOc1ccc(C2=CC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)cc1	ZINC000509445721	1075747631	/nfs/dbraw/zinc/74/76/31/1075747631.db2.gz	BUVRCLBWXVGQHF-UHFFFAOYSA-N	1	1	414.550	1.407	20	0		HDADMO
CCOc1ccc(C2=CC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)cc1	ZINC000509445721	1075747633	/nfs/dbraw/zinc/74/76/33/1075747633.db2.gz	BUVRCLBWXVGQHF-UHFFFAOYSA-N	1	1	414.550	1.407	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(Br)cc2F)CC1	ZINC000732446694	1075747688	/nfs/dbraw/zinc/74/76/88/1075747688.db2.gz	VFXTXGCAAUJNLV-UHFFFAOYSA-N	1	1	401.280	1.552	20	0		HDADMO
Cc1nc2sccn2c(=O)c1CC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000509262911	1075750253	/nfs/dbraw/zinc/75/02/53/1075750253.db2.gz	JFTSMHGGPUODEW-UHFFFAOYSA-N	1	1	417.579	1.627	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	ZINC000732465374	1075752985	/nfs/dbraw/zinc/75/29/85/1075752985.db2.gz	DKKZCIXFKHGJMR-INIZCTEOSA-N	1	1	412.556	1.996	20	0		HDADMO
C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1N1CCC(O)CC1	ZINC000732464518	1075753012	/nfs/dbraw/zinc/75/30/12/1075753012.db2.gz	WOHZKQVWGMSMID-RDJZCZTQSA-N	1	1	407.534	1.393	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H](Cc1ccccc1)CN1CCOCC1	ZINC000732467839	1075755284	/nfs/dbraw/zinc/75/52/84/1075755284.db2.gz	YUURVYZRHDDLRP-PCCBWWKXSA-N	1	1	402.539	1.092	20	0		HDADMO
CC(C)n1cnnc1CN(C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000429271547	1075757039	/nfs/dbraw/zinc/75/70/39/1075757039.db2.gz	HLRUUCXHOROKHB-SFHVURJKSA-N	1	1	414.554	1.828	20	0		HDADMO
O=C(Cn1c[nH+]c2c1CCCC2)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000543690617	1075760342	/nfs/dbraw/zinc/76/03/42/1075760342.db2.gz	AAKSSBNLOZQOKF-OAHLLOKOSA-N	1	1	408.458	1.286	20	0		HDADMO
CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1	ZINC000732485263	1075762302	/nfs/dbraw/zinc/76/23/02/1075762302.db2.gz	OVUAZZLHZGKLHY-QGZVFWFLSA-N	1	1	405.499	1.192	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000471278756	1075762753	/nfs/dbraw/zinc/76/27/53/1075762753.db2.gz	URIBFZZPDSIDIL-SFHVURJKSA-N	1	1	407.522	1.894	20	0		HDADMO
CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)C(C)(C)COC	ZINC000429271863	1075763156	/nfs/dbraw/zinc/76/31/56/1075763156.db2.gz	LZGJHNDZBZJNCY-UHFFFAOYSA-N	1	1	400.545	1.476	20	0		HDADMO
CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)C(C)(C)COC	ZINC000429271863	1075763160	/nfs/dbraw/zinc/76/31/60/1075763160.db2.gz	LZGJHNDZBZJNCY-UHFFFAOYSA-N	1	1	400.545	1.476	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CC2)n1	ZINC000441523536	1075769602	/nfs/dbraw/zinc/76/96/02/1075769602.db2.gz	KMAMNEMDFJTNRZ-OAHLLOKOSA-N	1	1	404.565	1.559	20	0		HDADMO
Nc1nsc(N2CC[NH+](CCC(=O)Nc3ccccc3Br)CC2)n1	ZINC000468933639	1075771553	/nfs/dbraw/zinc/77/15/53/1075771553.db2.gz	KMHKPUHYCXZBLX-UHFFFAOYSA-N	1	1	411.329	2.034	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1	ZINC000804224262	1075776874	/nfs/dbraw/zinc/77/68/74/1075776874.db2.gz	ZGRPDWALTOMAQI-UHFFFAOYSA-N	1	1	410.559	1.881	20	0		HDADMO
C[NH+]1CCC(CNC(=O)Nc2ncn(Cc3ccccc3)n2)(N2CCCCC2)CC1	ZINC000583182443	1075776921	/nfs/dbraw/zinc/77/69/21/1075776921.db2.gz	WQGQZPDLNJJHIP-UHFFFAOYSA-N	1	1	411.554	2.398	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1=O	ZINC000732526559	1075780724	/nfs/dbraw/zinc/78/07/24/1075780724.db2.gz	FVMSEQNWOLPHCV-GVDBMIGSSA-N	1	1	410.559	1.691	20	0		HDADMO
CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1	ZINC001063226061	1075784263	/nfs/dbraw/zinc/78/42/63/1075784263.db2.gz	HLZFQZUXCJYASF-UWGWQUPMSA-N	1	1	400.523	1.975	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1	ZINC000732552452	1075784684	/nfs/dbraw/zinc/78/46/84/1075784684.db2.gz	CNOJGGUIQVRCGZ-HDICACEKSA-N	1	1	412.575	1.545	20	0		HDADMO
CCNC(=O)OC[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000804234982	1075785394	/nfs/dbraw/zinc/78/53/94/1075785394.db2.gz	DLXZWUXYZCRLFU-FQEVSTJZSA-N	1	1	402.539	1.931	20	0		HDADMO
CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559281	1075785722	/nfs/dbraw/zinc/78/57/22/1075785722.db2.gz	KLZYNRJRQAQHHK-OXJNMPFZSA-N	1	1	402.514	1.806	20	0		HDADMO
CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559281	1075785726	/nfs/dbraw/zinc/78/57/26/1075785726.db2.gz	KLZYNRJRQAQHHK-OXJNMPFZSA-N	1	1	402.514	1.806	20	0		HDADMO
CN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559547	1075787041	/nfs/dbraw/zinc/78/70/41/1075787041.db2.gz	NWYDZPYXZBLDHS-HZPDHXFCSA-N	1	1	420.476	1.777	20	0		HDADMO
CN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559547	1075787043	/nfs/dbraw/zinc/78/70/43/1075787043.db2.gz	NWYDZPYXZBLDHS-HZPDHXFCSA-N	1	1	420.476	1.777	20	0		HDADMO
COc1ccc(C)cc1[C@]1(C)NC(=O)N(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1=O	ZINC000486454363	1075787175	/nfs/dbraw/zinc/78/71/75/1075787175.db2.gz	IOIIERGUIOHBMA-PFKNGNAYSA-N	1	1	405.495	1.241	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3cccc(F)c3)on2)CC1	ZINC000448094373	1075789720	/nfs/dbraw/zinc/78/97/20/1075789720.db2.gz	NITAZMQUUKIJQQ-MRXNPFEDSA-N	1	1	401.442	2.251	20	0		HDADMO
C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)[C@@H]1c1cccs1	ZINC000441946333	1075790528	/nfs/dbraw/zinc/79/05/28/1075790528.db2.gz	IPGWGSZGZDNZRP-DNVCBOLYSA-N	1	1	424.530	2.467	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)[C@@H]1c1cccs1	ZINC000441946333	1075790534	/nfs/dbraw/zinc/79/05/34/1075790534.db2.gz	IPGWGSZGZDNZRP-DNVCBOLYSA-N	1	1	424.530	2.467	20	0		HDADMO
C[NH+]1CCN(CCCNc2ncnc3ccc(I)cc32)CC1	ZINC000461466216	1075791771	/nfs/dbraw/zinc/79/17/71/1075791771.db2.gz	YIQITPXLXDNDLH-UHFFFAOYSA-N	1	1	411.291	2.284	20	0		HDADMO
CN1CC[NH+](Cc2ccc(C(=O)Nc3nc(CN4CCOCC4)cs3)cc2)CC1	ZINC000047304219	1075792045	/nfs/dbraw/zinc/79/20/45/1075792045.db2.gz	DAGNOQTUHQFUAR-UHFFFAOYSA-N	1	1	415.563	1.975	20	0		HDADMO
C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)[C@H]2C1	ZINC000645615633	1075800428	/nfs/dbraw/zinc/80/04/28/1075800428.db2.gz	RAXNKOXUOGIYTC-DOMZBBRYSA-N	1	1	418.295	1.736	20	0		HDADMO
CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1	ZINC001129307348	1075800533	/nfs/dbraw/zinc/80/05/33/1075800533.db2.gz	WXWITQCVCVDJLT-OALUTQOASA-N	1	1	402.539	1.312	20	0		HDADMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1	ZINC001129307348	1075800537	/nfs/dbraw/zinc/80/05/37/1075800537.db2.gz	WXWITQCVCVDJLT-OALUTQOASA-N	1	1	402.539	1.312	20	0		HDADMO
O=C([C@H]1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1)N1CCOCC1	ZINC000509275790	1075800930	/nfs/dbraw/zinc/80/09/30/1075800930.db2.gz	GZAXABGLZOFRMP-NRFANRHFSA-N	1	1	400.567	1.770	20	0		HDADMO
CCc1[nH+]ccn1[C@H](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1	ZINC001063827456	1075802705	/nfs/dbraw/zinc/80/27/05/1075802705.db2.gz	HVKSOLSONBOQLJ-UWGWQUPMSA-N	1	1	400.523	1.975	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CC[N@H+](C2CCC2)C1	ZINC000645675209	1075803595	/nfs/dbraw/zinc/80/35/95/1075803595.db2.gz	SYBRTULEGOCQGA-CQSZACIVSA-N	1	1	400.458	1.678	20	0		HDADMO
C[C@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1Cc1ccccc1	ZINC000511719898	1075818474	/nfs/dbraw/zinc/81/84/74/1075818474.db2.gz	BNNFVDOWVLGMEK-FXAWDEMLSA-N	1	1	424.549	1.868	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1	ZINC000611065824	1075823431	/nfs/dbraw/zinc/82/34/31/1075823431.db2.gz	HESZLVUMARBVER-ZWKOTPCHSA-N	1	1	410.559	1.694	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732674160	1075828577	/nfs/dbraw/zinc/82/85/77/1075828577.db2.gz	DDJRTVIKPJQFKI-CYBMUJFWSA-N	1	1	414.494	1.722	20	0		HDADMO
COCCS(=O)(=O)CC(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1	ZINC000732739494	1075842619	/nfs/dbraw/zinc/84/26/19/1075842619.db2.gz	CIMNBQKCPZEMCN-UHFFFAOYSA-N	1	1	400.566	1.897	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=S)NCCc3ccc4c(c3)OCCO4)C2)CC1	ZINC000732721757	1075843642	/nfs/dbraw/zinc/84/36/42/1075843642.db2.gz	VFEBRKGDFMUFHY-KRWDZBQOSA-N	1	1	404.580	1.633	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=S)NCCc3ccc4c(c3)OCCO4)C2)CC1	ZINC000732721757	1075843644	/nfs/dbraw/zinc/84/36/44/1075843644.db2.gz	VFEBRKGDFMUFHY-KRWDZBQOSA-N	1	1	404.580	1.633	20	0		HDADMO
COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000611110083	1075846139	/nfs/dbraw/zinc/84/61/39/1075846139.db2.gz	RCBLVWKICOCDBW-QZTJIDSGSA-N	1	1	403.589	1.538	20	0		HDADMO
COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1	ZINC000611110083	1075846144	/nfs/dbraw/zinc/84/61/44/1075846144.db2.gz	RCBLVWKICOCDBW-QZTJIDSGSA-N	1	1	403.589	1.538	20	0		HDADMO
COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000611110085	1075846247	/nfs/dbraw/zinc/84/62/47/1075846247.db2.gz	RCBLVWKICOCDBW-ZWKOTPCHSA-N	1	1	403.589	1.538	20	0		HDADMO
COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1	ZINC000611110085	1075846253	/nfs/dbraw/zinc/84/62/53/1075846253.db2.gz	RCBLVWKICOCDBW-ZWKOTPCHSA-N	1	1	403.589	1.538	20	0		HDADMO
COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C	ZINC000429294773	1075846770	/nfs/dbraw/zinc/84/67/70/1075846770.db2.gz	RYQURSDGTHMSBH-QZTJIDSGSA-N	1	1	405.539	1.951	20	0		HDADMO
COC(=O)COc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1	ZINC000611124198	1075850657	/nfs/dbraw/zinc/85/06/57/1075850657.db2.gz	WXSOUMTWUJFXAM-DFNIBXOVSA-N	1	1	401.507	1.621	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000556543271	1075860583	/nfs/dbraw/zinc/86/05/83/1075860583.db2.gz	PWMVWJVEZYHYEN-AEFFLSMTSA-N	1	1	411.506	2.229	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)nn1	ZINC000566397067	1075861002	/nfs/dbraw/zinc/86/10/02/1075861002.db2.gz	JSJWJDFPNFEAHE-UHFFFAOYSA-N	1	1	413.478	1.716	20	0		HDADMO
COCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1	ZINC000732807407	1075863112	/nfs/dbraw/zinc/86/31/12/1075863112.db2.gz	MFDFDSYMWNHHKX-LJQANCHMSA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1	ZINC000732807407	1075863117	/nfs/dbraw/zinc/86/31/17/1075863117.db2.gz	MFDFDSYMWNHHKX-LJQANCHMSA-N	1	1	403.523	1.805	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)C2)CC1	ZINC000732779216	1075863685	/nfs/dbraw/zinc/86/36/85/1075863685.db2.gz	ASBDQNGVJFANGI-MOTZXUDYSA-N	1	1	406.552	1.356	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)C2)CC1	ZINC000732779216	1075863688	/nfs/dbraw/zinc/86/36/88/1075863688.db2.gz	ASBDQNGVJFANGI-MOTZXUDYSA-N	1	1	406.552	1.356	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1	ZINC000429302032	1075865174	/nfs/dbraw/zinc/86/51/74/1075865174.db2.gz	PZLDQOWUEIKZGZ-HUUCEWRRSA-N	1	1	406.483	1.399	20	0		HDADMO
CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)c2C1	ZINC000568907670	1075865761	/nfs/dbraw/zinc/86/57/61/1075865761.db2.gz	NFJHXCOBDUJQJF-MRXNPFEDSA-N	1	1	412.538	2.382	20	0		HDADMO
CC(C)CN(C(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429301868	1075865838	/nfs/dbraw/zinc/86/58/38/1075865838.db2.gz	OXEKGGOQUJUBOZ-GJZGRUSLSA-N	1	1	423.558	1.410	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1C(=O)OC(C)(C)C	ZINC000611189667	1075872986	/nfs/dbraw/zinc/87/29/86/1075872986.db2.gz	DPPMWGBGZQWVER-YOEHRIQHSA-N	1	1	405.495	1.724	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1C(=O)OC(C)(C)C	ZINC000611189667	1075872989	/nfs/dbraw/zinc/87/29/89/1075872989.db2.gz	DPPMWGBGZQWVER-YOEHRIQHSA-N	1	1	405.495	1.724	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)CC1	ZINC000732835056	1075874882	/nfs/dbraw/zinc/87/48/82/1075874882.db2.gz	VEEQTGKALPHAKR-QMDZLVRISA-N	1	1	420.579	1.252	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)CC1	ZINC000732835056	1075874883	/nfs/dbraw/zinc/87/48/83/1075874883.db2.gz	VEEQTGKALPHAKR-QMDZLVRISA-N	1	1	420.579	1.252	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732812942	1075874948	/nfs/dbraw/zinc/87/49/48/1075874948.db2.gz	FQAJADVYAQOMMU-ZBFHGGJFSA-N	1	1	403.401	1.480	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000732822167	1075879615	/nfs/dbraw/zinc/87/96/15/1075879615.db2.gz	AVSBJRADQKJQJY-NRFANRHFSA-N	1	1	413.566	1.995	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)CC[N@@H+]1CCOC	ZINC000611230248	1075882456	/nfs/dbraw/zinc/88/24/56/1075882456.db2.gz	ARSNOTLSAUHAIQ-INIZCTEOSA-N	1	1	405.495	1.679	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)CC[N@H+]1CCOC	ZINC000611230248	1075882462	/nfs/dbraw/zinc/88/24/62/1075882462.db2.gz	ARSNOTLSAUHAIQ-INIZCTEOSA-N	1	1	405.495	1.679	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@H](O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000611244144	1075885075	/nfs/dbraw/zinc/88/50/75/1075885075.db2.gz	DOZYENSFMMWIGD-UYAOXDASSA-N	1	1	419.522	1.017	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000611244144	1075885078	/nfs/dbraw/zinc/88/50/78/1075885078.db2.gz	DOZYENSFMMWIGD-UYAOXDASSA-N	1	1	419.522	1.017	20	0		HDADMO
COC(=O)[C@]1(NCCn2nc3ccccn3c2=O)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265920	1075888804	/nfs/dbraw/zinc/88/88/04/1075888804.db2.gz	QXRISPHLGJZOAF-QFIPXVFZSA-N	1	1	409.490	1.293	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N(C)CC(F)(F)F)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265866	1075888949	/nfs/dbraw/zinc/88/89/49/1075888949.db2.gz	MXGXNZVXERCIJJ-SFHVURJKSA-N	1	1	401.429	1.805	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N(C)CC(F)(F)F)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265866	1075888952	/nfs/dbraw/zinc/88/89/52/1075888952.db2.gz	MXGXNZVXERCIJJ-SFHVURJKSA-N	1	1	401.429	1.805	20	0		HDADMO
CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)N1CC[NH+](C)CC1	ZINC000732885845	1075892797	/nfs/dbraw/zinc/89/27/97/1075892797.db2.gz	QZNHKFUTDANOGY-LSDHHAIUSA-N	1	1	407.481	1.063	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(OC)c4oc(C(=O)OC)cc43)CCN2C1=O	ZINC000611285422	1075892850	/nfs/dbraw/zinc/89/28/50/1075892850.db2.gz	XRWFXWUBVMUUFO-CQSZACIVSA-N	1	1	401.419	1.696	20	0		HDADMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)C[C@H](C)O1	ZINC000732887242	1075893350	/nfs/dbraw/zinc/89/33/50/1075893350.db2.gz	XCBZITMBTYKEJX-MJBXVCDLSA-N	1	1	408.465	1.679	20	0		HDADMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)C[C@H](C)O1	ZINC000732887242	1075893354	/nfs/dbraw/zinc/89/33/54/1075893354.db2.gz	XCBZITMBTYKEJX-MJBXVCDLSA-N	1	1	408.465	1.679	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000732889817	1075893807	/nfs/dbraw/zinc/89/38/07/1075893807.db2.gz	RVTVJCISONCIHL-UHFFFAOYSA-N	1	1	407.540	1.195	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1	ZINC000611320154	1075899235	/nfs/dbraw/zinc/89/92/35/1075899235.db2.gz	YEOYWEXGQYDBCV-OAHLLOKOSA-N	1	1	406.479	1.822	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)CC1	ZINC000611325482	1075901376	/nfs/dbraw/zinc/90/13/76/1075901376.db2.gz	VGRQYAYEJOSEER-MRXNPFEDSA-N	1	1	410.559	1.598	20	0		HDADMO
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000611382289	1075922332	/nfs/dbraw/zinc/92/23/32/1075922332.db2.gz	OLNDXZKQCSEXPT-QGZVFWFLSA-N	1	1	423.579	1.729	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@@H](C)C1	ZINC000611401334	1075925307	/nfs/dbraw/zinc/92/53/07/1075925307.db2.gz	CFBSFXFFHLTFER-FXAWDEMLSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@@H](C)C1	ZINC000611401334	1075925309	/nfs/dbraw/zinc/92/53/09/1075925309.db2.gz	CFBSFXFFHLTFER-FXAWDEMLSA-N	1	1	403.523	1.845	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(=O)c2cc(Br)ccc2[nH]1	ZINC000732957240	1075931444	/nfs/dbraw/zinc/93/14/44/1075931444.db2.gz	QLOQVXAMPLARAM-OLZOCXBDSA-N	1	1	406.280	1.884	20	0		HDADMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)C1	ZINC000732981635	1075936154	/nfs/dbraw/zinc/93/61/54/1075936154.db2.gz	UHBBCTUTZNAIGI-QZTJIDSGSA-N	1	1	400.523	1.981	20	0		HDADMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)C1	ZINC000732981635	1075936158	/nfs/dbraw/zinc/93/61/58/1075936158.db2.gz	UHBBCTUTZNAIGI-QZTJIDSGSA-N	1	1	400.523	1.981	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000732989959	1075941406	/nfs/dbraw/zinc/94/14/06/1075941406.db2.gz	YHIBPWVKTFCOIV-QJISPJEISA-N	1	1	411.568	1.841	20	0		HDADMO
COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)CC2	ZINC000611546348	1075959877	/nfs/dbraw/zinc/95/98/77/1075959877.db2.gz	BSZNMHVSTUKZOD-UHFFFAOYSA-N	1	1	405.414	1.577	20	0		HDADMO
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1	ZINC000611547411	1075960558	/nfs/dbraw/zinc/96/05/58/1075960558.db2.gz	UFQGJEWPMHLXKJ-DLBZAZTESA-N	1	1	403.479	1.560	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC2(CC[NH+](Cc3ccon3)CC2)[C@H]2COC[C@H]21	ZINC001079252740	1075967596	/nfs/dbraw/zinc/96/75/96/1075967596.db2.gz	QOMVTPUVFMYGSF-AEEMCCEDSA-N	1	1	401.507	1.929	20	0		HDADMO
NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1	ZINC000105152865	1075969509	/nfs/dbraw/zinc/96/95/09/1075969509.db2.gz	ZBOMGUDBGBRLLP-OAHLLOKOSA-N	1	1	415.562	1.511	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2nc(Cc3ccccc3)no2)CC1=O	ZINC000733139827	1075973144	/nfs/dbraw/zinc/97/31/44/1075973144.db2.gz	SEUHXPHOSRBTDL-QZTJIDSGSA-N	1	1	411.506	1.609	20	0		HDADMO
COc1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc(Cl)c1OCC(N)=O	ZINC000105474736	1075973229	/nfs/dbraw/zinc/97/32/29/1075973229.db2.gz	WCTBVRMFYZGADC-CQSZACIVSA-N	1	1	411.886	1.150	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CCO)CCN1CCOCC1	ZINC000491347643	1075975088	/nfs/dbraw/zinc/97/50/88/1075975088.db2.gz	WICZHDIGKDQYCA-XVAYZXCPSA-N	1	1	418.582	1.479	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001080481501	1075989041	/nfs/dbraw/zinc/98/90/41/1075989041.db2.gz	DVUILYBNAJJCLL-FGTAOJJYSA-N	1	1	403.548	1.637	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001080481501	1075989047	/nfs/dbraw/zinc/98/90/47/1075989047.db2.gz	DVUILYBNAJJCLL-FGTAOJJYSA-N	1	1	403.548	1.637	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2nc3cc(F)ccc3n2C)CC1=O	ZINC000733155145	1075989207	/nfs/dbraw/zinc/98/92/07/1075989207.db2.gz	QZKOMMCCIQIFGO-HOCLYGCPSA-N	1	1	401.486	1.661	20	0		HDADMO
O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000493875612	1075993292	/nfs/dbraw/zinc/99/32/92/1075993292.db2.gz	QYMZJIAYIRBMSV-LBPRGKRZSA-N	1	1	410.400	1.869	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCN2CCN(Cc3ccccc3)CC2)C[C@H](C)O1	ZINC000511822858	1075999086	/nfs/dbraw/zinc/99/90/86/1075999086.db2.gz	IVGLAGIZBNJMKJ-XJUOHMSHSA-N	1	1	404.599	1.206	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCN2CCN(Cc3ccccc3)CC2)C[C@H](C)O1	ZINC000511822858	1075999092	/nfs/dbraw/zinc/99/90/92/1075999092.db2.gz	IVGLAGIZBNJMKJ-XJUOHMSHSA-N	1	1	404.599	1.206	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@@H+](CCO)Cc2cc(Br)cs2)C[C@H](C)O1	ZINC000494247082	1075999356	/nfs/dbraw/zinc/99/93/56/1075999356.db2.gz	HEPLTGNUPNPSJB-VNHYZAJKSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H](O)CN(CCO)Cc2cc(Br)cs2)C[C@H](C)O1	ZINC000494247082	1075999359	/nfs/dbraw/zinc/99/93/59/1075999359.db2.gz	HEPLTGNUPNPSJB-VNHYZAJKSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN(CCO)Cc2cc(Br)cs2)C[C@H](C)O1	ZINC000494247082	1075999361	/nfs/dbraw/zinc/99/93/61/1075999361.db2.gz	HEPLTGNUPNPSJB-VNHYZAJKSA-N	1	1	407.374	1.775	20	0		HDADMO
CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1	ZINC000733170020	1076000108	/nfs/dbraw/zinc/00/01/08/1076000108.db2.gz	IRFPEHZTEPKQOJ-INIZCTEOSA-N	1	1	412.556	1.068	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1	ZINC000733170522	1076001072	/nfs/dbraw/zinc/00/10/72/1076001072.db2.gz	OAVWGQZKJSJYBQ-HNNXBMFYSA-N	1	1	416.570	1.201	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)Cn1c[nH+]cc1C	ZINC001081103534	1076002830	/nfs/dbraw/zinc/00/28/30/1076002830.db2.gz	YXRISAYYHDJMEN-IYWGDAJJSA-N	1	1	400.523	1.702	20	0		HDADMO
CNC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)cc1	ZINC001081958396	1076018953	/nfs/dbraw/zinc/01/89/53/1076018953.db2.gz	LOIGVPRKHLGKDE-CENDIDJXSA-N	1	1	401.507	1.177	20	0		HDADMO
CNC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)cc1	ZINC001081958396	1076018958	/nfs/dbraw/zinc/01/89/58/1076018958.db2.gz	LOIGVPRKHLGKDE-CENDIDJXSA-N	1	1	401.507	1.177	20	0		HDADMO
CC(C)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1	ZINC000733294776	1076040932	/nfs/dbraw/zinc/04/09/32/1076040932.db2.gz	CCTWPBLJUAEGLJ-DLBZAZTESA-N	1	1	410.559	1.801	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1	ZINC000727132408	1076050381	/nfs/dbraw/zinc/05/03/81/1076050381.db2.gz	ZHCYLMBREDQEAR-NXHRZFHOSA-N	1	1	422.570	1.881	20	0		HDADMO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000727137783	1076051628	/nfs/dbraw/zinc/05/16/28/1076051628.db2.gz	GSEZVZRHXYIYSS-JKSUJKDBSA-N	1	1	410.559	1.691	20	0		HDADMO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000727137783	1076051637	/nfs/dbraw/zinc/05/16/37/1076051637.db2.gz	GSEZVZRHXYIYSS-JKSUJKDBSA-N	1	1	410.559	1.691	20	0		HDADMO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000727137782	1076051753	/nfs/dbraw/zinc/05/17/53/1076051753.db2.gz	GSEZVZRHXYIYSS-HZPDHXFCSA-N	1	1	410.559	1.691	20	0		HDADMO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000727137782	1076051757	/nfs/dbraw/zinc/05/17/57/1076051757.db2.gz	GSEZVZRHXYIYSS-HZPDHXFCSA-N	1	1	410.559	1.691	20	0		HDADMO
O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccnc1N1CCC(O)CC1	ZINC000733361588	1076052598	/nfs/dbraw/zinc/05/25/98/1076052598.db2.gz	MIRLWBXWBRRDJW-UHFFFAOYSA-N	1	1	409.534	1.799	20	0		HDADMO
C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1F)[NH+]1CCN(c2ccccc2)CC1	ZINC000733369625	1076057072	/nfs/dbraw/zinc/05/70/72/1076057072.db2.gz	RSDBIFGGPQWJEA-HNNXBMFYSA-N	1	1	420.510	1.414	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000053502552	1076057241	/nfs/dbraw/zinc/05/72/41/1076057241.db2.gz	HWPCTADCSRCAFR-UHFFFAOYSA-N	1	1	416.547	1.712	20	0		HDADMO
COC(=O)NCCCC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000733542846	1076091573	/nfs/dbraw/zinc/09/15/73/1076091573.db2.gz	MMVSPFLSYZGDQG-UHFFFAOYSA-N	1	1	405.495	1.709	20	0		HDADMO
O=C(NC1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1)Oc1ccccc1	ZINC000727287071	1076092522	/nfs/dbraw/zinc/09/25/22/1076092522.db2.gz	NJCOIZURCBMGGI-UHFFFAOYSA-N	1	1	406.552	1.836	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)CN(C)C(=O)C3CC3)CC2)cc1	ZINC000733517534	1076093624	/nfs/dbraw/zinc/09/36/24/1076093624.db2.gz	PDSRGEJMHHXZFW-UHFFFAOYSA-N	1	1	417.506	1.141	20	0		HDADMO
COC(=O)CNC(=O)COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000733530397	1076095430	/nfs/dbraw/zinc/09/54/30/1076095430.db2.gz	IYUAEZRLCQSKCU-KRWDZBQOSA-N	1	1	402.369	1.273	20	0		HDADMO
COC(=O)N1CCC(NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1	ZINC000733644789	1076138955	/nfs/dbraw/zinc/13/89/55/1076138955.db2.gz	FTMQDBIFYUMBKR-UHFFFAOYSA-N	1	1	419.526	1.546	20	0		HDADMO
O=C(COC(=O)c1ccc2c(c1)NC(=O)CN2)N1CC[NH+](Cc2ccccc2)CC1	ZINC000727523998	1076146898	/nfs/dbraw/zinc/14/68/98/1076146898.db2.gz	PQORZNZDNGLDDL-UHFFFAOYSA-N	1	1	408.458	1.552	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1	ZINC000733778791	1076204025	/nfs/dbraw/zinc/20/40/25/1076204025.db2.gz	HIUGXRRTSYGQLL-DLBZAZTESA-N	1	1	419.547	1.944	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1	ZINC000733796571	1076215710	/nfs/dbraw/zinc/21/57/10/1076215710.db2.gz	MRSSYKHKGFFQGO-QZTJIDSGSA-N	1	1	416.588	1.592	20	0		HDADMO
C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[N@@H+](C)C1CC1	ZINC000727741943	1076216836	/nfs/dbraw/zinc/21/68/36/1076216836.db2.gz	RXFLFWVYDCFXBO-ZDUSSCGKSA-N	1	1	415.943	1.573	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1	ZINC000022693320	1076218711	/nfs/dbraw/zinc/21/87/11/1076218711.db2.gz	VHQTWKOPJFLPSB-SFHVURJKSA-N	1	1	411.568	1.445	20	0		HDADMO
CCn1cc(CN(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cn1	ZINC000733849054	1076218746	/nfs/dbraw/zinc/21/87/46/1076218746.db2.gz	SSILNQNYSYJUET-UHFFFAOYSA-N	1	1	408.547	1.987	20	0		HDADMO
O=C(COC(=O)COc1ccc(O)cc1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000733828109	1076220370	/nfs/dbraw/zinc/22/03/70/1076220370.db2.gz	LOSUYHLFOIRYQG-UHFFFAOYSA-N	1	1	406.479	1.466	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727754937	1076229287	/nfs/dbraw/zinc/22/92/87/1076229287.db2.gz	KQGSROYHHNYLOQ-IBGZPJMESA-N	1	1	400.504	1.281	20	0		HDADMO
C[C@@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000530965095	1076236916	/nfs/dbraw/zinc/23/69/16/1076236916.db2.gz	DDXZOLQDBNAJHN-IEBWSBKVSA-N	1	1	400.523	1.588	20	0		HDADMO
C[C@@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000530965095	1076236922	/nfs/dbraw/zinc/23/69/22/1076236922.db2.gz	DDXZOLQDBNAJHN-IEBWSBKVSA-N	1	1	400.523	1.588	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1	ZINC000733882210	1076238571	/nfs/dbraw/zinc/23/85/71/1076238571.db2.gz	FKDFKJTXUZPKPD-INIZCTEOSA-N	1	1	402.568	1.542	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C1	ZINC000533831050	1076245580	/nfs/dbraw/zinc/24/55/80/1076245580.db2.gz	KBPCGWHWXNXVRS-IRLDBZIGSA-N	1	1	418.497	1.765	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C1	ZINC000533831050	1076245583	/nfs/dbraw/zinc/24/55/83/1076245583.db2.gz	KBPCGWHWXNXVRS-IRLDBZIGSA-N	1	1	418.497	1.765	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1	ZINC000533831343	1076245622	/nfs/dbraw/zinc/24/56/22/1076245622.db2.gz	FHIIJQLBXHXLDQ-HXUWFJFHSA-N	1	1	404.470	1.361	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1	ZINC000533831343	1076245626	/nfs/dbraw/zinc/24/56/26/1076245626.db2.gz	FHIIJQLBXHXLDQ-HXUWFJFHSA-N	1	1	404.470	1.361	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3c(F)cc(Br)cc3c2=O)C[C@@H](C)O1	ZINC000534146128	1076246827	/nfs/dbraw/zinc/24/68/27/1076246827.db2.gz	NSBHCDOPUSQUCC-WZRBSPASSA-N	1	1	414.275	1.768	20	0		HDADMO
CN(CCNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)S(=O)(=O)c1cccs1	ZINC000534531282	1076247966	/nfs/dbraw/zinc/24/79/66/1076247966.db2.gz	QYQNSKQZBGZREK-MRXNPFEDSA-N	1	1	408.549	1.855	20	0		HDADMO
CN(CCNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)S(=O)(=O)c1cccs1	ZINC000534531282	1076247974	/nfs/dbraw/zinc/24/79/74/1076247974.db2.gz	QYQNSKQZBGZREK-MRXNPFEDSA-N	1	1	408.549	1.855	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000534554820	1076248480	/nfs/dbraw/zinc/24/84/80/1076248480.db2.gz	XWBGVSWJSXHFFU-HXUWFJFHSA-N	1	1	422.533	1.606	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000534554820	1076248484	/nfs/dbraw/zinc/24/84/84/1076248484.db2.gz	XWBGVSWJSXHFFU-HXUWFJFHSA-N	1	1	422.533	1.606	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCS(=O)(=O)NCc2ccccc2)C1	ZINC000535271847	1076250849	/nfs/dbraw/zinc/25/08/49/1076250849.db2.gz	SVYYUHQTERJWCN-LJQANCHMSA-N	1	1	402.520	1.592	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCS(=O)(=O)NCc2ccccc2)C1	ZINC000535271847	1076250855	/nfs/dbraw/zinc/25/08/55/1076250855.db2.gz	SVYYUHQTERJWCN-LJQANCHMSA-N	1	1	402.520	1.592	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1	ZINC000535269069	1076250863	/nfs/dbraw/zinc/25/08/63/1076250863.db2.gz	KCJMNELCBQVJMH-LEWJYISDSA-N	1	1	407.518	1.727	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1	ZINC000535269069	1076250866	/nfs/dbraw/zinc/25/08/66/1076250866.db2.gz	KCJMNELCBQVJMH-LEWJYISDSA-N	1	1	407.518	1.727	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C1	ZINC000535295281	1076252106	/nfs/dbraw/zinc/25/21/06/1076252106.db2.gz	REUIZUHFNPJSTL-IBGZPJMESA-N	1	1	403.504	1.955	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C1	ZINC000535295281	1076252110	/nfs/dbraw/zinc/25/21/10/1076252110.db2.gz	REUIZUHFNPJSTL-IBGZPJMESA-N	1	1	403.504	1.955	20	0		HDADMO
Cc1nc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)nn1-c1nc(C(F)(F)F)n[nH]1	ZINC000536031680	1076254383	/nfs/dbraw/zinc/25/43/83/1076254383.db2.gz	FMDSEGVFDNHSFX-GFCCVEGCSA-N	1	1	406.372	1.629	20	0		HDADMO
Cc1nc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)nn1-c1nc(C(F)(F)F)n[nH]1	ZINC000536031680	1076254387	/nfs/dbraw/zinc/25/43/87/1076254387.db2.gz	FMDSEGVFDNHSFX-GFCCVEGCSA-N	1	1	406.372	1.629	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000144331873	1076256824	/nfs/dbraw/zinc/25/68/24/1076256824.db2.gz	BTLZHHSCMLJPQY-LSDHHAIUSA-N	1	1	402.944	1.977	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000144331873	1076256828	/nfs/dbraw/zinc/25/68/28/1076256828.db2.gz	BTLZHHSCMLJPQY-LSDHHAIUSA-N	1	1	402.944	1.977	20	0		HDADMO
NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000733898291	1076259072	/nfs/dbraw/zinc/25/90/72/1076259072.db2.gz	HWBKUMGXDMWLHC-KRWDZBQOSA-N	1	1	404.515	1.111	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1	ZINC000727805984	1076259242	/nfs/dbraw/zinc/25/92/42/1076259242.db2.gz	HIUSJOXIAUHWSC-ZBWUASRJSA-N	1	1	412.534	1.732	20	0		HDADMO
CCCOC(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000727834847	1076265229	/nfs/dbraw/zinc/26/52/29/1076265229.db2.gz	CMZVLYWMIHXDKG-SFHVURJKSA-N	1	1	423.535	1.356	20	0		HDADMO
CCCOC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000727834847	1076265232	/nfs/dbraw/zinc/26/52/32/1076265232.db2.gz	CMZVLYWMIHXDKG-SFHVURJKSA-N	1	1	423.535	1.356	20	0		HDADMO
COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1	ZINC000727836271	1076265489	/nfs/dbraw/zinc/26/54/89/1076265489.db2.gz	LREPOGUDAOAVHA-JTQLQIEISA-N	1	1	405.314	1.997	20	0		HDADMO
CC(C)C1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](C(=O)N3CCOCC3)C1)C2=O	ZINC000727817884	1076267180	/nfs/dbraw/zinc/26/71/80/1076267180.db2.gz	SINQSDMAGSSVNF-DKTYTTGXSA-N	1	1	420.554	1.652	20	0		HDADMO
CC(C)C1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](C(=O)N3CCOCC3)C1)C2=O	ZINC000727817884	1076267185	/nfs/dbraw/zinc/26/71/85/1076267185.db2.gz	SINQSDMAGSSVNF-DKTYTTGXSA-N	1	1	420.554	1.652	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000733975810	1076280134	/nfs/dbraw/zinc/28/01/34/1076280134.db2.gz	PCMPQMNEPZEMKF-INIZCTEOSA-N	1	1	400.589	1.830	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)ccc1F	ZINC000733976419	1076280875	/nfs/dbraw/zinc/28/08/75/1076280875.db2.gz	PLQPBRNBGCYQHH-HNNXBMFYSA-N	1	1	414.547	1.126	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCOc1cccnc1	ZINC000734062177	1076300265	/nfs/dbraw/zinc/30/02/65/1076300265.db2.gz	CSGGLORIDKOKSD-UHFFFAOYSA-N	1	1	413.478	1.678	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21	ZINC001083147727	1076304287	/nfs/dbraw/zinc/30/42/87/1076304287.db2.gz	AZDCWZOOVSKTSY-ZVSFZBDESA-N	1	1	412.486	1.293	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21	ZINC001083147727	1076304290	/nfs/dbraw/zinc/30/42/90/1076304290.db2.gz	AZDCWZOOVSKTSY-ZVSFZBDESA-N	1	1	412.486	1.293	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12	ZINC000734106372	1076308455	/nfs/dbraw/zinc/30/84/55/1076308455.db2.gz	WOOLHGPXBGNCEX-QGZVFWFLSA-N	1	1	400.504	1.265	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12	ZINC000734106372	1076308461	/nfs/dbraw/zinc/30/84/61/1076308461.db2.gz	WOOLHGPXBGNCEX-QGZVFWFLSA-N	1	1	400.504	1.265	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)CCNC(=O)c2[nH]nc3ccccc32)cn1	ZINC000728068236	1076316223	/nfs/dbraw/zinc/31/62/23/1076316223.db2.gz	HJMUYHRWQQVGJI-UHFFFAOYSA-N	1	1	403.446	1.888	20	0		HDADMO
Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3OCCO3)C2)c(=O)n(-c2ccccc2)n1C	ZINC000728053422	1076320884	/nfs/dbraw/zinc/32/08/84/1076320884.db2.gz	JYIZPPVQVQBMTF-DLBZAZTESA-N	1	1	414.506	1.896	20	0		HDADMO
C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000728053053	1076321376	/nfs/dbraw/zinc/32/13/76/1076321376.db2.gz	GKRIDEQAWHWFSK-NQIIRXRSSA-N	1	1	417.550	1.608	20	0		HDADMO
CCOC(=O)C1C(CN2CC[NH+](CC(C)(C)O)CC2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000728054545	1076321924	/nfs/dbraw/zinc/32/19/24/1076321924.db2.gz	IOUJDVQUPDULEN-LJQANCHMSA-N	1	1	416.522	1.246	20	0		HDADMO
COc1ccc(CN2CCCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)cc1	ZINC000728054120	1076322238	/nfs/dbraw/zinc/32/22/38/1076322238.db2.gz	VMNMTWVOBPBPKX-FQEVSTJZSA-N	1	1	417.550	1.814	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000728070177	1076332330	/nfs/dbraw/zinc/33/23/30/1076332330.db2.gz	FIDSRZPNHOAPSD-DBPMXWMLSA-N	1	1	408.568	1.185	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)ccc12	ZINC000728072824	1076332587	/nfs/dbraw/zinc/33/25/87/1076332587.db2.gz	JQDLGWOVWJJLSH-GOSISDBHSA-N	1	1	415.490	1.539	20	0		HDADMO
CCCc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1	ZINC000728077931	1076334130	/nfs/dbraw/zinc/33/41/30/1076334130.db2.gz	REZSNTXNVXXXSQ-MOPGFXCFSA-N	1	1	414.550	1.696	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1	ZINC000728077451	1076334452	/nfs/dbraw/zinc/33/44/52/1076334452.db2.gz	JAKFHKWFJMIILN-SJORKVTESA-N	1	1	420.941	1.392	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(Br)cnc2Cl)C1	ZINC000728078230	1076334686	/nfs/dbraw/zinc/33/46/86/1076334686.db2.gz	VMWKPRSXVYRTGC-JTQLQIEISA-N	1	1	403.708	1.815	20	0		HDADMO
CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000728142044	1076342085	/nfs/dbraw/zinc/34/20/85/1076342085.db2.gz	JHXUZWYWUIEVMK-UHFFFAOYSA-N	1	1	406.502	1.934	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)no1	ZINC000028802398	1076361911	/nfs/dbraw/zinc/36/19/11/1076361911.db2.gz	WXAWSQRTNTXFQT-QGZVFWFLSA-N	1	1	422.913	1.770	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3cccc(C)c3)C2=O)c1	ZINC000728173089	1076364292	/nfs/dbraw/zinc/36/42/92/1076364292.db2.gz	PFDOLSDERZVAIB-QFIPXVFZSA-N	1	1	410.474	1.934	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3cccc(C)c3)C2=O)c1	ZINC000728173089	1076364301	/nfs/dbraw/zinc/36/43/01/1076364301.db2.gz	PFDOLSDERZVAIB-QFIPXVFZSA-N	1	1	410.474	1.934	20	0		HDADMO
CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)C1CCCCC1	ZINC001084532844	1076369728	/nfs/dbraw/zinc/36/97/28/1076369728.db2.gz	RIMDRZCBLROVAO-LFTGHYRXSA-N	1	1	401.551	1.734	20	0		HDADMO
CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)C1CCCCC1	ZINC001084532844	1076369737	/nfs/dbraw/zinc/36/97/37/1076369737.db2.gz	RIMDRZCBLROVAO-LFTGHYRXSA-N	1	1	401.551	1.734	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1	ZINC000729979237	1076404131	/nfs/dbraw/zinc/40/41/31/1076404131.db2.gz	CHWXPLYVKYQYKL-HNNXBMFYSA-N	1	1	415.531	1.743	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)C1	ZINC000729980038	1076405090	/nfs/dbraw/zinc/40/50/90/1076405090.db2.gz	KMPDMXFZNIMRNY-HNNXBMFYSA-N	1	1	415.531	1.695	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)CC1	ZINC000730088182	1076443864	/nfs/dbraw/zinc/44/38/64/1076443864.db2.gz	XEZUMCLVHIAWHN-UHFFFAOYSA-N	1	1	422.485	1.620	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000730095677	1076449058	/nfs/dbraw/zinc/44/90/58/1076449058.db2.gz	BHEHXNDSTMIIPT-UHFFFAOYSA-N	1	1	407.518	1.808	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC000730217913	1076479668	/nfs/dbraw/zinc/47/96/68/1076479668.db2.gz	ZMCQMOVVTQORDW-QAPCUYQASA-N	1	1	404.486	1.238	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000730227298	1076485056	/nfs/dbraw/zinc/48/50/56/1076485056.db2.gz	AQAWYECSJVCHPS-AWEZNQCLSA-N	1	1	417.579	1.960	20	0		HDADMO
CCCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000730251690	1076497636	/nfs/dbraw/zinc/49/76/36/1076497636.db2.gz	HUZUKYODTAXJEL-QFIPXVFZSA-N	1	1	416.522	1.744	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1	ZINC000730263522	1076505359	/nfs/dbraw/zinc/50/53/59/1076505359.db2.gz	WOPFLLPUMNJRRB-OAHLLOKOSA-N	1	1	422.551	1.632	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1	ZINC000730263522	1076505370	/nfs/dbraw/zinc/50/53/70/1076505370.db2.gz	WOPFLLPUMNJRRB-OAHLLOKOSA-N	1	1	422.551	1.632	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730273732	1076517214	/nfs/dbraw/zinc/51/72/14/1076517214.db2.gz	WBIKSKQJRYXSPD-GOSISDBHSA-N	1	1	411.591	1.960	20	0		HDADMO
COc1cccc([C@@H]2C[C@@H]2C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1	ZINC000730350224	1076548623	/nfs/dbraw/zinc/54/86/23/1076548623.db2.gz	XPEIXZGIYZZFPE-UFYCRDLUSA-N	1	1	404.507	1.815	20	0		HDADMO
COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1	ZINC000730576068	1076608310	/nfs/dbraw/zinc/60/83/10/1076608310.db2.gz	YSADFKKNUHJJSP-MRXNPFEDSA-N	1	1	413.515	1.403	20	0		HDADMO
COC(=O)NCCCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000730753854	1076647101	/nfs/dbraw/zinc/64/71/01/1076647101.db2.gz	XJVXSAOQVWCJTP-UHFFFAOYSA-N	1	1	412.512	1.088	20	0		HDADMO
COC(=O)NCCCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000730753854	1076647109	/nfs/dbraw/zinc/64/71/09/1076647109.db2.gz	XJVXSAOQVWCJTP-UHFFFAOYSA-N	1	1	412.512	1.088	20	0		HDADMO
C[N@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O	ZINC000730804616	1076655764	/nfs/dbraw/zinc/65/57/64/1076655764.db2.gz	WIBXUUSYFWTXOE-IERDGZPVSA-N	1	1	403.479	1.974	20	0		HDADMO
C[N@@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O	ZINC000730804616	1076655771	/nfs/dbraw/zinc/65/57/71/1076655771.db2.gz	WIBXUUSYFWTXOE-IERDGZPVSA-N	1	1	403.479	1.974	20	0		HDADMO
C[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C[C@@H]1CCCOC1	ZINC000730808097	1076665875	/nfs/dbraw/zinc/66/58/75/1076665875.db2.gz	BEKBKZNQGVVCNI-UWJYYQICSA-N	1	1	402.495	1.319	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1=O	ZINC000730841772	1076671070	/nfs/dbraw/zinc/67/10/70/1076671070.db2.gz	MPODXQZMDYOCBV-FGTMMUONSA-N	1	1	422.570	1.835	20	0		HDADMO
COC(=O)CCCNC(=S)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000730949327	1076700030	/nfs/dbraw/zinc/70/00/30/1076700030.db2.gz	CPSLAUNGOCNOIM-KRWDZBQOSA-N	1	1	406.552	1.301	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CSc3cccc[n+]3[O-])c2)C1	ZINC000731008765	1076709700	/nfs/dbraw/zinc/70/97/00/1076709700.db2.gz	QYLMEFHLQTZITE-GOSISDBHSA-N	1	1	414.531	1.426	20	0		HDADMO
COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1	ZINC000731038177	1076716175	/nfs/dbraw/zinc/71/61/75/1076716175.db2.gz	CDUBHEMPTUZXMI-LLVKDONJSA-N	1	1	405.314	1.856	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(C(N)=S)cc3)c2)C1	ZINC000731059404	1076720368	/nfs/dbraw/zinc/72/03/68/1076720368.db2.gz	VIFMQUZCIVRDJZ-LJQANCHMSA-N	1	1	410.543	1.948	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCCCN3CCOC3=O)c2)C1	ZINC000731120662	1076726007	/nfs/dbraw/zinc/72/60/07/1076726007.db2.gz	HSOFATGLVXRDEH-SFHVURJKSA-N	1	1	417.510	1.025	20	0		HDADMO
Cc1nccn1-c1ncccc1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000731120132	1076726018	/nfs/dbraw/zinc/72/60/18/1076726018.db2.gz	OJRDSJXWNSPKCI-HXUWFJFHSA-N	1	1	411.554	1.887	20	0		HDADMO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(CS(C)(=O)=O)n2)cc1OC	ZINC001560184998	1126209998	/nfs/dbraw/zinc/20/99/98/1126209998.db2.gz	QQYNSPYBNUONPN-SFHVURJKSA-N	1	1	414.549	1.788	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3C[C@]3([NH3+])C2)c1CN1CC[C@H](CO)C1	ZINC001164422080	718895848	/nfs/dbraw/zinc/89/58/48/718895848.db2.gz	SQVOIDXISRGDTP-DMPWYTOCSA-N	1	1	401.555	1.808	20	0		HDADMO
COc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(S(C)(=O)=O)n1	ZINC001164623652	719078937	/nfs/dbraw/zinc/07/89/37/719078937.db2.gz	KDQZNJWVFHBDIR-DLBZAZTESA-N	1	1	402.520	1.990	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3ncnc4cc(F)c(OC)cc43)CC2)C1=O	ZINC001164637909	719277263	/nfs/dbraw/zinc/27/72/63/719277263.db2.gz	AXSSTQXYKMLRKZ-UHFFFAOYSA-N	1	1	417.485	1.537	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4cc(F)c(OC)cc43)CC2)C1=O	ZINC001164637909	719277267	/nfs/dbraw/zinc/27/72/67/719277267.db2.gz	AXSSTQXYKMLRKZ-UHFFFAOYSA-N	1	1	417.485	1.537	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CC2	ZINC001164652789	719316561	/nfs/dbraw/zinc/31/65/61/719316561.db2.gz	PYIDSTUFVYMQEW-QGZVFWFLSA-N	1	1	412.542	1.332	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cnccc21	ZINC001164699403	719849162	/nfs/dbraw/zinc/84/91/62/719849162.db2.gz	IJECPPWAARVDGQ-BFUOFWGJSA-N	1	1	405.886	1.911	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1)C1CC1	ZINC001164701607	719884730	/nfs/dbraw/zinc/88/47/30/719884730.db2.gz	NWDXAYNQCKYEKP-NZSAHSFTSA-N	1	1	408.506	1.803	20	0		HDADMO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCN(C)CC3)nn1)C2	ZINC001164807951	720075772	/nfs/dbraw/zinc/07/57/72/720075772.db2.gz	GPXUTTRLPBWPAM-KNQAVFIVSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCN(C)CC3)nn1)C2	ZINC001164807951	720075777	/nfs/dbraw/zinc/07/57/77/720075777.db2.gz	GPXUTTRLPBWPAM-KNQAVFIVSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)C2	ZINC001164811306	720080576	/nfs/dbraw/zinc/08/05/76/720080576.db2.gz	NVMHJYWOMAJOGU-KSFYIVLOSA-N	1	1	417.506	1.840	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN3C(=O)CCC3=O)cn1)C2	ZINC001164812523	720142711	/nfs/dbraw/zinc/14/27/11/720142711.db2.gz	PBNSVUBHEVOSOT-WMZHIEFXSA-N	1	1	412.534	1.915	20	0		HDADMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(-n3cncn3)n1)CC2	ZINC001164714635	720147845	/nfs/dbraw/zinc/14/78/45/720147845.db2.gz	XSHKWGLCZGTDDW-LJQANCHMSA-N	1	1	420.521	1.960	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1	ZINC001164816855	720167155	/nfs/dbraw/zinc/16/71/55/720167155.db2.gz	NFXQOBQOYVXRHO-FXAWDEMLSA-N	1	1	408.568	1.565	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)C2	ZINC001164814315	720168311	/nfs/dbraw/zinc/16/83/11/720168311.db2.gz	FRLRHXBKYGWRNI-RXVVDRJESA-N	1	1	422.595	1.953	20	0		HDADMO
Cn1nnc2c1CCN(c1nc3[nH]cnc3cc1Cl)[C@H]2COCC[NH+]1CCCC1	ZINC001164719162	720186844	/nfs/dbraw/zinc/18/68/44/720186844.db2.gz	SXKYARKUGNWEND-INIZCTEOSA-N	1	1	416.917	1.956	20	0		HDADMO
COC(=O)c1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncc1F	ZINC001164812693	720217574	/nfs/dbraw/zinc/21/75/74/720217574.db2.gz	IGEHUESKTLPEMR-UHFFFAOYSA-N	1	1	403.458	1.815	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ccc(=O)n(C)c3n1)CCC2	ZINC001164812059	720223874	/nfs/dbraw/zinc/22/38/74/720223874.db2.gz	CRCGQSTTZKDAPO-UHFFFAOYSA-N	1	1	408.506	1.741	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ccn4C)C2)C1	ZINC001164718964	720235180	/nfs/dbraw/zinc/23/51/80/720235180.db2.gz	JDGOYZXOOOBCNL-IBGZPJMESA-N	1	1	406.918	1.287	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ccn4C)C2)C1	ZINC001164718964	720235188	/nfs/dbraw/zinc/23/51/88/720235188.db2.gz	JDGOYZXOOOBCNL-IBGZPJMESA-N	1	1	406.918	1.287	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)NC3CC3)nn1)CCC2	ZINC001164813287	720240063	/nfs/dbraw/zinc/24/00/63/720240063.db2.gz	MMWUSPXIUDVJQO-UHFFFAOYSA-N	1	1	411.510	1.176	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1	ZINC001164717534	720240954	/nfs/dbraw/zinc/24/09/54/720240954.db2.gz	AMNFJJSHIJIFBX-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1	ZINC001164717534	720240959	/nfs/dbraw/zinc/24/09/59/720240959.db2.gz	AMNFJJSHIJIFBX-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1	ZINC001164842853	720601894	/nfs/dbraw/zinc/60/18/94/720601894.db2.gz	WBIJUNXNXNJVSQ-JENIJYKNSA-N	1	1	418.567	1.564	20	0		HDADMO
COC(=O)c1ccc2cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2c1	ZINC001164744978	720635631	/nfs/dbraw/zinc/63/56/31/720635631.db2.gz	SUKWNPRGQMBZFZ-SJORKVTESA-N	1	1	406.446	1.548	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1OC	ZINC001164838238	720650045	/nfs/dbraw/zinc/65/00/45/720650045.db2.gz	GQLZLPBPBKGLSD-YESZJQIVSA-N	1	1	414.510	1.846	20	0		HDADMO
CCOC(=O)c1cc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2[nH]1	ZINC001164737580	720675735	/nfs/dbraw/zinc/67/57/35/720675735.db2.gz	GJSIPIMGDBNSNK-HZPDHXFCSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164740133	720683506	/nfs/dbraw/zinc/68/35/06/720683506.db2.gz	QGZRKTGQSDYARI-KGLIPLIRSA-N	1	1	418.885	1.368	20	0		HDADMO
COc1cc2ncc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2cc1OC	ZINC001164736961	720687954	/nfs/dbraw/zinc/68/79/54/720687954.db2.gz	COMOHMKEFGERSJ-GJZGRUSLSA-N	1	1	408.462	1.779	20	0		HDADMO
COC(=O)c1cc2c(OC)[nH]c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc-2n1	ZINC001164742660	720690074	/nfs/dbraw/zinc/69/00/74/720690074.db2.gz	WGUCZAYGHJJQKY-KGLIPLIRSA-N	1	1	424.461	1.490	20	0		HDADMO
CON(C)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164737599	720705757	/nfs/dbraw/zinc/70/57/57/720705757.db2.gz	GNDVMCGPMIGJMX-GJZGRUSLSA-N	1	1	418.885	1.500	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)[nH]c-2n1	ZINC001164746299	720731958	/nfs/dbraw/zinc/73/19/58/720731958.db2.gz	XCMFKHARPJNPJW-HZPDHXFCSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2[nH]1	ZINC001164746299	720731965	/nfs/dbraw/zinc/73/19/65/720731965.db2.gz	XCMFKHARPJNPJW-HZPDHXFCSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2[nH]1	ZINC001164746299	720731971	/nfs/dbraw/zinc/73/19/71/720731971.db2.gz	XCMFKHARPJNPJW-HZPDHXFCSA-N	1	1	408.462	1.872	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1F	ZINC001164743318	720821600	/nfs/dbraw/zinc/82/16/00/720821600.db2.gz	SEQHVPWJLHBBMP-FRQCXROJSA-N	1	1	414.485	1.978	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1F	ZINC001164743320	720821664	/nfs/dbraw/zinc/82/16/64/720821664.db2.gz	SEQHVPWJLHBBMP-JTDSTZFVSA-N	1	1	414.485	1.978	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@H]43)c2)CC1	ZINC001164847295	720823007	/nfs/dbraw/zinc/82/30/07/720823007.db2.gz	ITRDNOMJLGDBGT-HSALFYBXSA-N	1	1	416.522	1.845	20	0		HDADMO
O=C1COc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2N1	ZINC001164737719	720830849	/nfs/dbraw/zinc/83/08/49/720830849.db2.gz	CGTJOVAJENAXNO-GVDBMIGSSA-N	1	1	409.494	1.383	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164851469	720836476	/nfs/dbraw/zinc/83/64/76/720836476.db2.gz	HNFOVAVMKKVVJE-VQIMIIECSA-N	1	1	414.506	1.980	20	0		HDADMO
c1cn(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cn1	ZINC001164748944	720837615	/nfs/dbraw/zinc/83/76/15/720837615.db2.gz	VDKZCHIVSONTLA-GUDVDZBRSA-N	1	1	405.510	1.633	20	0		HDADMO
Cc1cn(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cn1	ZINC001164743592	720838849	/nfs/dbraw/zinc/83/88/49/720838849.db2.gz	JOEVIAGTLQGBJZ-HSALFYBXSA-N	1	1	419.537	1.942	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)CC[C@H]2C1	ZINC001164853283	720840945	/nfs/dbraw/zinc/84/09/45/720840945.db2.gz	NUIFXBMAZANNTK-JKSUJKDBSA-N	1	1	407.515	1.997	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)c(OC)cc43)CC[C@H]2C1	ZINC001164853245	720841550	/nfs/dbraw/zinc/84/15/50/720841550.db2.gz	NMNQUNSQEYWIBJ-YWZLYKJASA-N	1	1	402.495	1.821	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)CC[C@@H]2C1	ZINC001164853238	720846806	/nfs/dbraw/zinc/84/68/06/720846806.db2.gz	NGJFQXJVPOKGCO-CVEARBPZSA-N	1	1	407.515	1.997	20	0		HDADMO
COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c1ccn2C	ZINC001164744034	720858190	/nfs/dbraw/zinc/85/81/90/720858190.db2.gz	BHEUPBGBMOXCHG-YQVWRLOYSA-N	1	1	422.537	1.948	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(OC)nc(N4CCCCCC4)n3)CC[C@H]2C1	ZINC001164862099	720873799	/nfs/dbraw/zinc/87/37/99/720873799.db2.gz	QOODMLWPTNZRHJ-ZWKOTPCHSA-N	1	1	420.558	1.434	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)COc3cncc(Cl)n3)CC[C@H]2C1	ZINC001164864489	720878563	/nfs/dbraw/zinc/87/85/63/720878563.db2.gz	VYLMFTUGRCOYEG-KBPBESRZSA-N	1	1	406.861	1.771	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3ncn4-c3ccccc3)CC[C@@H]2C1	ZINC001164865005	720885602	/nfs/dbraw/zinc/88/56/02/720885602.db2.gz	XVYDLMDPHCMEAM-MJGOQNOKSA-N	1	1	408.506	1.989	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)nc1)C1CC1	ZINC001164859088	720912843	/nfs/dbraw/zinc/91/28/43/720912843.db2.gz	OOYWBYPZMOEEQJ-IMFGXOCKSA-N	1	1	411.506	1.935	20	0		HDADMO
CN1CCN(c2ccc(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)nn2)CC1	ZINC001164759934	721041222	/nfs/dbraw/zinc/04/12/22/721041222.db2.gz	AXONFOHHYIUPPB-UHFFFAOYSA-N	1	1	419.537	1.304	20	0		HDADMO
Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CNCC2	ZINC001164869559	721044746	/nfs/dbraw/zinc/04/47/46/721044746.db2.gz	UHSLBNFXGUUNRA-JKSUJKDBSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CNCC2	ZINC001164869559	721044751	/nfs/dbraw/zinc/04/47/51/721044751.db2.gz	UHSLBNFXGUUNRA-JKSUJKDBSA-N	1	1	400.914	1.650	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)C[C@H]3C2)cn1	ZINC001164770968	721094788	/nfs/dbraw/zinc/09/47/88/721094788.db2.gz	QPKTUZHRRHDHRO-HZPDHXFCSA-N	1	1	418.933	1.053	20	0		HDADMO
CNC(=O)c1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl	ZINC001164863390	721107159	/nfs/dbraw/zinc/10/71/59/721107159.db2.gz	CFKFHKCGFFMXMR-CVEARBPZSA-N	1	1	401.898	1.969	20	0		HDADMO
CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164872770	721123502	/nfs/dbraw/zinc/12/35/02/721123502.db2.gz	IHCONHBMTZAPIA-RTBURBONSA-N	1	1	411.506	1.898	20	0		HDADMO
COC(=O)c1nc2cnccc2c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1	ZINC001164773930	721153779	/nfs/dbraw/zinc/15/37/79/721153779.db2.gz	ZIDWQZQZYPCESR-CVEARBPZSA-N	1	1	407.478	1.503	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164867826	721188466	/nfs/dbraw/zinc/18/84/66/721188466.db2.gz	IIXLULNQAFGNMF-GJZGRUSLSA-N	1	1	402.886	1.364	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@@H]3C2)cn1	ZINC001164773317	721207209	/nfs/dbraw/zinc/20/72/09/721207209.db2.gz	WEMAMKSMRPBBGP-SFTDATJTSA-N	1	1	404.518	1.983	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C(=O)NC5CCCC5)nn4)C[C@@H]3C2)cn1	ZINC001164768322	721219204	/nfs/dbraw/zinc/21/92/04/721219204.db2.gz	KURPYBKAIPQHLZ-ROUUACIJSA-N	1	1	409.538	1.841	20	0		HDADMO
Cc1cc(N2CCCC2)nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)[nH+]1	ZINC001164874253	721261650	/nfs/dbraw/zinc/26/16/50/721261650.db2.gz	JZMIUZRXXQSMHI-UHFFFAOYSA-N	1	1	416.570	1.392	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(-c4nnco4)ccn3)CC2)C1	ZINC001164876631	721288412	/nfs/dbraw/zinc/28/84/12/721288412.db2.gz	KMQXOGRUNJSSHT-UHFFFAOYSA-N	1	1	400.483	1.139	20	0		HDADMO
CC(C)COc1nccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164873779	721289699	/nfs/dbraw/zinc/28/96/99/721289699.db2.gz	AAFQNRDKLAODJR-UHFFFAOYSA-N	1	1	405.543	1.518	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@@H](F)Oc3ccc(Cl)nn3)CC2)C1	ZINC001164874906	721292780	/nfs/dbraw/zinc/29/27/80/721292780.db2.gz	DYNMTDDOQSYYQO-QGZVFWFLSA-N	1	1	415.897	1.265	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164894083	721384035	/nfs/dbraw/zinc/38/40/35/721384035.db2.gz	XMAAWVFSDJIBOX-MGPUTAFESA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4C(N)=O)C3)O2)CC1	ZINC001164889193	721387142	/nfs/dbraw/zinc/38/71/42/721387142.db2.gz	KTSCFRHTCQDGNG-MGPUTAFESA-N	1	1	407.946	1.599	20	0		HDADMO
CCOC(=O)c1cnc(C)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164888542	721399566	/nfs/dbraw/zinc/39/95/66/721399566.db2.gz	KAIMGUCQOVTCRT-GCJKJVERSA-N	1	1	417.554	1.727	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164791501	721401531	/nfs/dbraw/zinc/40/15/31/721401531.db2.gz	YVHDPDCRIFIBIP-TXEJJXNPSA-N	1	1	406.537	1.795	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164791501	721401533	/nfs/dbraw/zinc/40/15/33/721401533.db2.gz	YVHDPDCRIFIBIP-TXEJJXNPSA-N	1	1	406.537	1.795	20	0		HDADMO
CCOC(=O)c1nccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164889468	721410925	/nfs/dbraw/zinc/41/09/25/721410925.db2.gz	QWMIXHDLPCRUDW-DYESRHJHSA-N	1	1	403.527	1.419	20	0		HDADMO
CCOC(=O)c1c(C)ncnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164883868	721413708	/nfs/dbraw/zinc/41/37/08/721413708.db2.gz	CDGUVWOBVUMXSP-GCJKJVERSA-N	1	1	417.554	1.727	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164883863	721414760	/nfs/dbraw/zinc/41/47/60/721414760.db2.gz	CBKKJLXLGAXKGO-FOIQADDNSA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc5ncnc(Cl)c5n4)C3)O2)CC1	ZINC001164884668	721423766	/nfs/dbraw/zinc/42/37/66/721423766.db2.gz	FHAXVFFOAWVXAP-FOIQADDNSA-N	1	1	417.945	1.839	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164891581	721425500	/nfs/dbraw/zinc/42/55/00/721425500.db2.gz	HBNNZJXESRPJEF-SIKLNZKXSA-N	1	1	417.554	1.348	20	0		HDADMO
CCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164893174	721432511	/nfs/dbraw/zinc/43/25/11/721432511.db2.gz	JQFHKYJCHIAOBR-SIKLNZKXSA-N	1	1	401.555	1.597	20	0		HDADMO
CCCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164888769	721436461	/nfs/dbraw/zinc/43/64/61/721436461.db2.gz	AVQZUMVQFFXINO-NFBKMPQASA-N	1	1	415.582	1.987	20	0		HDADMO
CCOC(=O)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164885392	721451734	/nfs/dbraw/zinc/45/17/34/721451734.db2.gz	DNKUBAVJEOOXTO-NFBKMPQASA-N	1	1	416.566	1.953	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(C(N)=O)n1)CC2	ZINC001164788629	721457906	/nfs/dbraw/zinc/45/79/06/721457906.db2.gz	UWHLIPBSPQIPIV-KRWDZBQOSA-N	1	1	403.527	1.309	20	0		HDADMO
CN1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4c2CC[NH2+]C4)CC3)CC1	ZINC001164797316	721517776	/nfs/dbraw/zinc/51/77/76/721517776.db2.gz	JYZAAVVQHHOMTF-UHFFFAOYSA-N	1	1	401.946	1.345	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCOCC3)ncn2)[C@@H]2CCCO[C@H]12	ZINC001164808998	721531932	/nfs/dbraw/zinc/53/19/32/721531932.db2.gz	SZRDFCZGHSQPMO-KNKQGSTJSA-N	1	1	410.522	1.576	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2N1C	ZINC001164803985	721556395	/nfs/dbraw/zinc/55/63/95/721556395.db2.gz	KKLWYTZTWVNDFE-FCLVOEFKSA-N	1	1	423.521	1.517	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2N1C	ZINC001164803985	721556398	/nfs/dbraw/zinc/55/63/98/721556398.db2.gz	KKLWYTZTWVNDFE-FCLVOEFKSA-N	1	1	423.521	1.517	20	0		HDADMO
CN(C)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2nc[nH]c21	ZINC001164801743	721562386	/nfs/dbraw/zinc/56/23/86/721562386.db2.gz	HDXXKKHDWZBFQC-SOLBZPMBSA-N	1	1	408.510	1.682	20	0		HDADMO
CN(C)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2nc[nH]c21	ZINC001164801743	721562390	/nfs/dbraw/zinc/56/23/90/721562390.db2.gz	HDXXKKHDWZBFQC-SOLBZPMBSA-N	1	1	408.510	1.682	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cn3cncn3)cn2)[C@@H]2CCCO[C@H]12	ZINC001164810170	721577395	/nfs/dbraw/zinc/57/73/95/721577395.db2.gz	UXOARNGFKQSWHZ-SJBKTWHCSA-N	1	1	405.506	1.985	20	0		HDADMO
COC(=O)c1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1OC	ZINC001164800016	721591424	/nfs/dbraw/zinc/59/14/24/721591424.db2.gz	BFVMJWMECGROFJ-BQFCYCMXSA-N	1	1	413.478	1.535	20	0		HDADMO
COC(=O)c1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1OC	ZINC001164800016	721591426	/nfs/dbraw/zinc/59/14/26/721591426.db2.gz	BFVMJWMECGROFJ-BQFCYCMXSA-N	1	1	413.478	1.535	20	0		HDADMO
Cn1cc(C(=O)N[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)[C@H]3CCCO[C@H]23)cn1	ZINC001165013407	721757885	/nfs/dbraw/zinc/75/78/85/721757885.db2.gz	LNGGBBDVLQXKND-IRFCIJBXSA-N	1	1	410.522	1.576	20	0		HDADMO
Cc1cnc2c(ccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1	ZINC001164915029	721798577	/nfs/dbraw/zinc/79/85/77/721798577.db2.gz	UHMIBSJXQLXPSK-QFIPXVFZSA-N	1	1	406.490	1.836	20	0		HDADMO
Cc1cnc2c(ccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1	ZINC001164915029	721798579	/nfs/dbraw/zinc/79/85/79/721798579.db2.gz	UHMIBSJXQLXPSK-QFIPXVFZSA-N	1	1	406.490	1.836	20	0		HDADMO
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]21	ZINC001164942672	721950736	/nfs/dbraw/zinc/95/07/36/721950736.db2.gz	LSUURCDGESPMRK-QZTJIDSGSA-N	1	1	400.483	1.008	20	0		HDADMO
O=S(=O)(c1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1)N1CCCC1	ZINC001165055555	722018855	/nfs/dbraw/zinc/01/88/55/722018855.db2.gz	PVVJLJNNEHEWDX-UHFFFAOYSA-N	1	1	401.536	1.626	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1	ZINC001164956048	722019444	/nfs/dbraw/zinc/01/94/44/722019444.db2.gz	VFDIBRADMHBOQX-UHFFFAOYSA-N	1	1	401.536	1.877	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)n2)CC1	ZINC001164956277	722034914	/nfs/dbraw/zinc/03/49/14/722034914.db2.gz	DDVMYWHUXPIBBB-PGRDOPGGSA-N	1	1	407.522	1.156	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1)C1CC1	ZINC001164956598	722045682	/nfs/dbraw/zinc/04/56/82/722045682.db2.gz	BKYQUSPFPZVZGN-IBGZPJMESA-N	1	1	414.550	1.910	20	0		HDADMO
CCOC(=O)c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1C(=O)OCC	ZINC001164967345	722069658	/nfs/dbraw/zinc/06/96/58/722069658.db2.gz	NWHBDDWMIASVRS-GASCZTMLSA-N	1	1	404.467	1.129	20	0		HDADMO
c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@H]3C2)c1	ZINC001164982803	722102956	/nfs/dbraw/zinc/10/29/56/722102956.db2.gz	PDBYXZDMJJFLCC-VQTJNVASSA-N	1	1	410.522	1.436	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164983825	722136450	/nfs/dbraw/zinc/13/64/50/722136450.db2.gz	VKDLUISAJWZZTM-MJGOQNOKSA-N	1	1	402.520	1.607	20	0		HDADMO
NC(=O)c1ccnc(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164972210	722152983	/nfs/dbraw/zinc/15/29/83/722152983.db2.gz	GXOHXJZHALETCA-RDJZCZTQSA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1cc(Cl)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997687	722229545	/nfs/dbraw/zinc/22/95/45/722229545.db2.gz	SMYGAKMRIFHHPM-UHFFFAOYSA-N	1	1	416.913	1.669	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccnc(-c4cccnc4)n2)CC3)CC1	ZINC001164997745	722234929	/nfs/dbraw/zinc/23/49/29/722234929.db2.gz	VBDWIRDZHOQGMS-UHFFFAOYSA-N	1	1	402.506	1.686	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(C(N)=O)cc4ccccc42)CC3)CC1	ZINC001165002646	722238236	/nfs/dbraw/zinc/23/82/36/722238236.db2.gz	WQUWXOZAXYCEQE-UHFFFAOYSA-N	1	1	417.517	1.481	20	0		HDADMO
COC(=O)c1c[nH]c2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12	ZINC001165002301	722254672	/nfs/dbraw/zinc/25/46/72/722254672.db2.gz	NIVSYPRWDASZGB-UHFFFAOYSA-N	1	1	413.482	1.430	20	0		HDADMO
C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(=O)n(C)cn2)c1	ZINC001626088734	1073466738	/nfs/dbraw/zinc/46/67/38/1073466738.db2.gz	AABUIOQLEAIEGS-CYBMUJFWSA-N	1	1	401.442	1.985	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(=O)n(C)cn2)c1	ZINC001626088734	1073466746	/nfs/dbraw/zinc/46/67/46/1073466746.db2.gz	AABUIOQLEAIEGS-CYBMUJFWSA-N	1	1	401.442	1.985	20	0		HDADMO
C[NH+](C)CCNC(=O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1	ZINC000673637722	1073468395	/nfs/dbraw/zinc/46/83/95/1073468395.db2.gz	PLOZPKONEJOXEV-UHFFFAOYSA-N	1	1	424.549	1.524	20	0		HDADMO
CNC(=O)Cn1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1	ZINC000429053902	1073476836	/nfs/dbraw/zinc/47/68/36/1073476836.db2.gz	OHQAQGIJVKGXGH-GOSISDBHSA-N	1	1	400.483	1.042	20	0		HDADMO
CN(CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ncnc2nc[nH]c21	ZINC000429059910	1073494538	/nfs/dbraw/zinc/49/45/38/1073494538.db2.gz	KTJYNKCXTCLUMP-INIZCTEOSA-N	1	1	411.535	1.523	20	0		HDADMO
CN(CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ncnc2nc[nH]c21	ZINC000429059910	1073494545	/nfs/dbraw/zinc/49/45/45/1073494545.db2.gz	KTJYNKCXTCLUMP-INIZCTEOSA-N	1	1	411.535	1.523	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1	ZINC000429062642	1073497303	/nfs/dbraw/zinc/49/73/03/1073497303.db2.gz	UXXSEGPIDNYFSB-IEBWSBKVSA-N	1	1	409.552	1.732	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1	ZINC000429078512	1073522088	/nfs/dbraw/zinc/52/20/88/1073522088.db2.gz	YDXMPPFLKUAVRO-JLYLLQBASA-N	1	1	412.494	1.446	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)[C@@H]1c1cccs1	ZINC000509100246	1073523975	/nfs/dbraw/zinc/52/39/75/1073523975.db2.gz	PUIGGOQZMRCLFV-IIAWOOMASA-N	1	1	401.554	1.244	20	0		HDADMO
COc1ccc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1I	ZINC001299282129	1073526130	/nfs/dbraw/zinc/52/61/30/1073526130.db2.gz	YRIHQRYGKPRTAR-LLVKDONJSA-N	1	1	404.248	1.438	20	0		HDADMO
COc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1I	ZINC001299282129	1073526139	/nfs/dbraw/zinc/52/61/39/1073526139.db2.gz	YRIHQRYGKPRTAR-LLVKDONJSA-N	1	1	404.248	1.438	20	0		HDADMO
COc1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1I	ZINC001299282130	1073526164	/nfs/dbraw/zinc/52/61/64/1073526164.db2.gz	YRIHQRYGKPRTAR-NSHDSACASA-N	1	1	404.248	1.438	20	0		HDADMO
COc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1I	ZINC001299282130	1073526171	/nfs/dbraw/zinc/52/61/71/1073526171.db2.gz	YRIHQRYGKPRTAR-NSHDSACASA-N	1	1	404.248	1.438	20	0		HDADMO
Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625186552	1073565012	/nfs/dbraw/zinc/56/50/12/1073565012.db2.gz	XBOZMLZFEMPUJZ-SFHVURJKSA-N	1	1	411.506	1.396	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1	ZINC000673657315	1073597124	/nfs/dbraw/zinc/59/71/24/1073597124.db2.gz	XJGPLHFHJJBBPB-BEFAXECRSA-N	1	1	402.520	1.832	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1	ZINC000673657315	1073597129	/nfs/dbraw/zinc/59/71/29/1073597129.db2.gz	XJGPLHFHJJBBPB-BEFAXECRSA-N	1	1	402.520	1.832	20	0		HDADMO
CNC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1	ZINC001299283911	1073604512	/nfs/dbraw/zinc/60/45/12/1073604512.db2.gz	ALCBXSCZOUYBGD-GOSISDBHSA-N	1	1	419.574	1.049	20	0		HDADMO
Cc1ccc(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)cc1S(N)(=O)=O	ZINC000673677548	1073631524	/nfs/dbraw/zinc/63/15/24/1073631524.db2.gz	JKTNVRJKSXDJRO-UHFFFAOYSA-N	1	1	416.547	1.537	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673700896	1073644093	/nfs/dbraw/zinc/64/40/93/1073644093.db2.gz	XESYACYFZOSMSV-UXHICEINSA-N	1	1	400.523	1.237	20	0		HDADMO
CC(=O)N1CCCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc21	ZINC000673714349	1073653620	/nfs/dbraw/zinc/65/36/20/1073653620.db2.gz	NCWAWIFTTAYJKG-LJQANCHMSA-N	1	1	402.539	1.723	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000673716271	1073655060	/nfs/dbraw/zinc/65/50/60/1073655060.db2.gz	QSXDWJSMZXRDPI-HXUWFJFHSA-N	1	1	410.518	1.770	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)c2)CC1	ZINC000673728750	1073663431	/nfs/dbraw/zinc/66/34/31/1073663431.db2.gz	KMHGDLZZADXAQJ-IBGZPJMESA-N	1	1	414.550	1.979	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCCN3C(=O)C(C)(C)C)c2)CC1	ZINC000673728751	1073663568	/nfs/dbraw/zinc/66/35/68/1073663568.db2.gz	KMHGDLZZADXAQJ-LJQANCHMSA-N	1	1	414.550	1.979	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000673756372	1073690578	/nfs/dbraw/zinc/69/05/78/1073690578.db2.gz	CEUPAHQMOZKTBI-KRWDZBQOSA-N	1	1	410.522	1.030	20	0		HDADMO
C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000673756372	1073690583	/nfs/dbraw/zinc/69/05/83/1073690583.db2.gz	CEUPAHQMOZKTBI-KRWDZBQOSA-N	1	1	410.522	1.030	20	0		HDADMO
C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000673756372	1073690587	/nfs/dbraw/zinc/69/05/87/1073690587.db2.gz	CEUPAHQMOZKTBI-KRWDZBQOSA-N	1	1	410.522	1.030	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673750730	1073694144	/nfs/dbraw/zinc/69/41/44/1073694144.db2.gz	FEBWKSBYQUBXPJ-YLJYHZDGSA-N	1	1	400.523	1.237	20	0		HDADMO
Cc1nc(CN2CCN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cs1	ZINC000509137842	1073696097	/nfs/dbraw/zinc/69/60/97/1073696097.db2.gz	LOVYUQLXRYQMSF-UHFFFAOYSA-N	1	1	413.591	1.914	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1	ZINC000429126561	1073697512	/nfs/dbraw/zinc/69/75/12/1073697512.db2.gz	HWIHZKOBUCNEPN-LPHOPBHVSA-N	1	1	408.568	1.478	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CC2)CC1	ZINC000673763130	1073702768	/nfs/dbraw/zinc/70/27/68/1073702768.db2.gz	YEELXYZJWQAZNL-LJQANCHMSA-N	1	1	418.542	1.470	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CCN(S(C)(=O)=O)CC1	ZINC000673769979	1073714256	/nfs/dbraw/zinc/71/42/56/1073714256.db2.gz	NTZCFDGDXOMECF-QGZVFWFLSA-N	1	1	408.568	1.716	20	0		HDADMO
C[C@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@@H]1O	ZINC000509143460	1073716602	/nfs/dbraw/zinc/71/66/02/1073716602.db2.gz	ZGRHSGVRHCKDLQ-JXFKEZNVSA-N	1	1	417.531	1.758	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@@H]1O	ZINC000509143460	1073716609	/nfs/dbraw/zinc/71/66/09/1073716609.db2.gz	ZGRHSGVRHCKDLQ-JXFKEZNVSA-N	1	1	417.531	1.758	20	0		HDADMO
CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)c2C1	ZINC000673785730	1073730676	/nfs/dbraw/zinc/73/06/76/1073730676.db2.gz	YBLWTRQBAKJBAG-GOSISDBHSA-N	1	1	400.523	1.674	20	0		HDADMO
CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)c2C1	ZINC000673785730	1073730681	/nfs/dbraw/zinc/73/06/81/1073730681.db2.gz	YBLWTRQBAKJBAG-GOSISDBHSA-N	1	1	400.523	1.674	20	0		HDADMO
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000673800836	1073749074	/nfs/dbraw/zinc/74/90/74/1073749074.db2.gz	CHZZBRUJOPSZCH-PZJWPPBQSA-N	1	1	405.564	1.925	20	0		HDADMO
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@@H](C)O1	ZINC000673810705	1073754005	/nfs/dbraw/zinc/75/40/05/1073754005.db2.gz	CVBPYZNGUMYVMY-INMHGKMJSA-N	1	1	404.515	1.125	20	0		HDADMO
O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1c1ncccn1	ZINC000673814437	1073757885	/nfs/dbraw/zinc/75/78/85/1073757885.db2.gz	KAKJQSRWSWUADS-NRFANRHFSA-N	1	1	408.550	1.770	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1Cc2ccccc2O[C@H](C)C1	ZINC000429142475	1073758502	/nfs/dbraw/zinc/75/85/02/1073758502.db2.gz	NUUBODASEFFMSC-HZPDHXFCSA-N	1	1	417.531	1.664	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1Cc2ccccc2O[C@H](C)C1	ZINC000429142475	1073758509	/nfs/dbraw/zinc/75/85/09/1073758509.db2.gz	NUUBODASEFFMSC-HZPDHXFCSA-N	1	1	417.531	1.664	20	0		HDADMO
COc1ccc(CC[N@@H+]2CCO[C@@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001108089877	1073765931	/nfs/dbraw/zinc/76/59/31/1073765931.db2.gz	PBABBCDPHOBGSP-OJMNFPMESA-N	1	1	400.519	1.868	20	0		HDADMO
COc1ccc(CC[N@H+]2CCO[C@@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001108089877	1073765942	/nfs/dbraw/zinc/76/59/42/1073765942.db2.gz	PBABBCDPHOBGSP-OJMNFPMESA-N	1	1	400.519	1.868	20	0		HDADMO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000673825027	1073771205	/nfs/dbraw/zinc/77/12/05/1073771205.db2.gz	SBLUTRXVQQMFDS-INIZCTEOSA-N	1	1	423.560	1.619	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000673825027	1073771214	/nfs/dbraw/zinc/77/12/14/1073771214.db2.gz	SBLUTRXVQQMFDS-INIZCTEOSA-N	1	1	423.560	1.619	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673815948	1073771829	/nfs/dbraw/zinc/77/18/29/1073771829.db2.gz	GRJFSYYHUQINPX-NRFANRHFSA-N	1	1	408.550	1.899	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1	ZINC000429156503	1073802115	/nfs/dbraw/zinc/80/21/15/1073802115.db2.gz	FMGNDTCHAXPABV-UHFFFAOYSA-N	1	1	411.572	1.125	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccc(F)cc1	ZINC000673839899	1073804999	/nfs/dbraw/zinc/80/49/99/1073804999.db2.gz	IENDJQSAOGFNBO-FGZHOGPDSA-N	1	1	418.557	1.703	20	0		HDADMO
Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)nc12	ZINC000673848348	1073814465	/nfs/dbraw/zinc/81/44/65/1073814465.db2.gz	XIZMOCPVBWYWDC-CYBMUJFWSA-N	1	1	408.300	1.232	20	0		HDADMO
CCn1c(N)c(C(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(=O)[nH]c1=O	ZINC000673841932	1073818480	/nfs/dbraw/zinc/81/84/80/1073818480.db2.gz	MKNQFKQXLWYXQA-UHFFFAOYSA-N	1	1	414.462	1.907	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)NC1CC[NH+](C2CCCCC2)CC1	ZINC000673879262	1073850989	/nfs/dbraw/zinc/85/09/89/1073850989.db2.gz	XMKJRIORLBZAOL-HXUWFJFHSA-N	1	1	407.603	1.489	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N3CCC[N@@H+](C[C@H]4CCCO4)CC3)C2=O)c1	ZINC000673914959	1073886742	/nfs/dbraw/zinc/88/67/42/1073886742.db2.gz	JKFCAKDQXKEYQO-NQIIRXRSSA-N	1	1	403.523	1.996	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](N3CCC[N@@H+](C[C@H]4CCCO4)CC3)C2=O)c1	ZINC000673914961	1073887081	/nfs/dbraw/zinc/88/70/81/1073887081.db2.gz	JKFCAKDQXKEYQO-WIYYLYMNSA-N	1	1	403.523	1.996	20	0		HDADMO
CC(C)C[C@@H](CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCOCC1	ZINC000026063903	1073928372	/nfs/dbraw/zinc/92/83/72/1073928372.db2.gz	DVLHXYHUMYPWCU-KRWDZBQOSA-N	1	1	416.522	1.615	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1	ZINC000509176821	1073929965	/nfs/dbraw/zinc/92/99/65/1073929965.db2.gz	CPPOGCTWRJSZDJ-GFCCVEGCSA-N	1	1	409.405	1.170	20	0		HDADMO
O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)NC1CCN(c2cccnn2)CC1	ZINC000429179238	1073967988	/nfs/dbraw/zinc/96/79/88/1073967988.db2.gz	GZWCVGOAULPHRV-JOCHJYFZSA-N	1	1	410.522	1.382	20	0		HDADMO
C[C@H](NC(=O)C[N@H+](CCO)CCN1CCOCC1)c1ccc(Br)cc1	ZINC000484410964	1073981916	/nfs/dbraw/zinc/98/19/16/1073981916.db2.gz	NZOOEURWSDTNQO-HNNXBMFYSA-N	1	1	414.344	1.253	20	0		HDADMO
C[C@H](NC(=O)C[N@@H+](CCO)CCN1CCOCC1)c1ccc(Br)cc1	ZINC000484410964	1073981920	/nfs/dbraw/zinc/98/19/20/1073981920.db2.gz	NZOOEURWSDTNQO-HNNXBMFYSA-N	1	1	414.344	1.253	20	0		HDADMO
CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000509187977	1073994579	/nfs/dbraw/zinc/99/45/79/1073994579.db2.gz	YLLUIMWELGAZRH-QZTJIDSGSA-N	1	1	400.527	1.844	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1	ZINC000429188226	1074012247	/nfs/dbraw/zinc/01/22/47/1074012247.db2.gz	ZAGDCOVWXBUZST-OAQYLSRUSA-N	1	1	415.582	1.545	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1	ZINC000429188223	1074012315	/nfs/dbraw/zinc/01/23/15/1074012315.db2.gz	ZAGDCOVWXBUZST-NRFANRHFSA-N	1	1	415.582	1.545	20	0		HDADMO
C[C@@]1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO[C@@H]1C1CC1	ZINC000466581603	1074019364	/nfs/dbraw/zinc/01/93/64/1074019364.db2.gz	OHBJJQACEVQKMI-NQIIRXRSSA-N	1	1	402.543	1.493	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000429190995	1074028351	/nfs/dbraw/zinc/02/83/51/1074028351.db2.gz	GCNWAEJWZSJAJM-KRWDZBQOSA-N	1	1	411.572	1.125	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)[N@H+]1CCC[C@H](C)C1	ZINC000543534462	1074033101	/nfs/dbraw/zinc/03/31/01/1074033101.db2.gz	MWQWDWJLGMEHIA-JKSUJKDBSA-N	1	1	401.511	1.387	20	0		HDADMO
O=C(NCCc1cn2c(n1)SCC2)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000466587248	1074037203	/nfs/dbraw/zinc/03/72/03/1074037203.db2.gz	GEOWDZSQGNOCPO-UHFFFAOYSA-N	1	1	401.536	1.863	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@H](C)c2cn(-c3ccccc3)nn2)C1	ZINC000543545298	1074058888	/nfs/dbraw/zinc/05/88/88/1074058888.db2.gz	JWMCNMJYFNZDOR-IEBWSBKVSA-N	1	1	400.527	1.391	20	0		HDADMO
CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@H+](CC(=O)N(C2CC2)C2CCCC2)C1	ZINC001033281339	1074061224	/nfs/dbraw/zinc/06/12/24/1074061224.db2.gz	KLLIUPYENZSECM-YENHRIDLSA-N	1	1	401.551	1.876	20	0		HDADMO
CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C1	ZINC001033281339	1074061228	/nfs/dbraw/zinc/06/12/28/1074061228.db2.gz	KLLIUPYENZSECM-YENHRIDLSA-N	1	1	401.551	1.876	20	0		HDADMO
CO[C@@H](C)c1noc(CN2CCCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)n1	ZINC000429200672	1074064790	/nfs/dbraw/zinc/06/47/90/1074064790.db2.gz	QQJWHNQLBRWNSH-HOTGVXAUSA-N	1	1	420.514	1.890	20	0		HDADMO
CC(C)(CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)S(C)(=O)=O	ZINC000674029543	1074096831	/nfs/dbraw/zinc/09/68/31/1074096831.db2.gz	KGEWVLOWDQBILP-KRWDZBQOSA-N	1	1	424.567	1.006	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000509205722	1074099565	/nfs/dbraw/zinc/09/95/65/1074099565.db2.gz	NNBRYXQFTKWAPJ-YJBOKZPZSA-N	1	1	415.581	1.432	20	0		HDADMO
CCC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000543561278	1074100042	/nfs/dbraw/zinc/10/00/42/1074100042.db2.gz	WRTIMKHORJKNQU-IBGZPJMESA-N	1	1	423.579	1.978	20	0		HDADMO
Cn1c2ncn(CC[N@@H+](C)[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)c2c(=O)n(C)c1=O	ZINC000543560520	1074107804	/nfs/dbraw/zinc/10/78/04/1074107804.db2.gz	GHYZMIJZWMFDKG-SJORKVTESA-N	1	1	415.469	1.425	20	0		HDADMO
O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000429207283	1074117378	/nfs/dbraw/zinc/11/73/78/1074117378.db2.gz	WYOWUNJPNNFGAN-FPOVZHCZSA-N	1	1	424.549	1.628	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)c(=O)[nH]c1=O	ZINC000543574850	1074148180	/nfs/dbraw/zinc/14/81/80/1074148180.db2.gz	RIGXSSHCFDIWLX-OAHLLOKOSA-N	1	1	421.542	1.575	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1	ZINC000674055912	1074148231	/nfs/dbraw/zinc/14/82/31/1074148231.db2.gz	IRUMWJULHZYECH-HOCLYGCPSA-N	1	1	409.556	1.926	20	0		HDADMO
CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1	ZINC000674055541	1074149722	/nfs/dbraw/zinc/14/97/22/1074149722.db2.gz	DMRYZDCPMONAJH-HOCLYGCPSA-N	1	1	409.556	1.974	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCN1CCCS1(=O)=O	ZINC000674157819	1074195061	/nfs/dbraw/zinc/19/50/61/1074195061.db2.gz	PGBQDUZORWFPMD-IEBWSBKVSA-N	1	1	408.568	1.622	20	0		HDADMO
O=C(NC[C@H]1SCCc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674159732	1074196291	/nfs/dbraw/zinc/19/62/91/1074196291.db2.gz	OPAWFJCRYYYLMI-UYAOXDASSA-N	1	1	404.580	1.723	20	0		HDADMO
CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000674191951	1074205262	/nfs/dbraw/zinc/20/52/62/1074205262.db2.gz	JWNCAMGLIDSMNA-INIZCTEOSA-N	1	1	407.536	1.894	20	0		HDADMO
O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1	ZINC000674198572	1074214514	/nfs/dbraw/zinc/21/45/14/1074214514.db2.gz	PIAFIEXDZZKLSX-SFHVURJKSA-N	1	1	411.506	1.629	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1	ZINC000674225957	1074233599	/nfs/dbraw/zinc/23/35/99/1074233599.db2.gz	NVEZLLGMGLXSRS-AUUYWEPGSA-N	1	1	412.465	1.890	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000674268140	1074248890	/nfs/dbraw/zinc/24/88/90/1074248890.db2.gz	LINWGQDOFHKNAY-UHFFFAOYSA-N	1	1	413.547	1.806	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000674270811	1074250519	/nfs/dbraw/zinc/25/05/19/1074250519.db2.gz	JBNTWGYBICZXFX-DLBZAZTESA-N	1	1	414.531	1.741	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000674294518	1074257949	/nfs/dbraw/zinc/25/79/49/1074257949.db2.gz	GXZPPYPTPFGXBZ-CTNGQTDRSA-N	1	1	424.586	1.153	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000674299049	1074262860	/nfs/dbraw/zinc/26/28/60/1074262860.db2.gz	FZNWVNNBFKHVQC-QZTJIDSGSA-N	1	1	406.914	1.952	20	0		HDADMO
COC1CC[NH+](CCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1	ZINC000674309612	1074268011	/nfs/dbraw/zinc/26/80/11/1074268011.db2.gz	DCMLWRDGZZVNEG-UHFFFAOYSA-N	1	1	401.554	1.373	20	0		HDADMO
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674329928	1074278946	/nfs/dbraw/zinc/27/89/46/1074278946.db2.gz	UXTKZGUMNZRPDA-OALUTQOASA-N	1	1	421.973	1.624	20	0		HDADMO
O=C(CCOc1cccc(F)c1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000674320115	1074280948	/nfs/dbraw/zinc/28/09/48/1074280948.db2.gz	DHBWZEYPPJLVQH-UHFFFAOYSA-N	1	1	421.513	1.672	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)[nH]n2)cc1OC	ZINC000674360669	1074292092	/nfs/dbraw/zinc/29/20/92/1074292092.db2.gz	SKGLANWFWOYANL-ZWKOTPCHSA-N	1	1	400.479	1.765	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CCN2C1=O	ZINC000674379089	1074304224	/nfs/dbraw/zinc/30/42/24/1074304224.db2.gz	VSKPOTRVELJUNO-JTDSTZFVSA-N	1	1	414.506	1.404	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CCN2C1=O	ZINC000674379089	1074304232	/nfs/dbraw/zinc/30/42/32/1074304232.db2.gz	VSKPOTRVELJUNO-JTDSTZFVSA-N	1	1	414.506	1.404	20	0		HDADMO
CCCN(CC(C)(C)O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674383076	1074306456	/nfs/dbraw/zinc/30/64/56/1074306456.db2.gz	VJVYRRFIWUKSBU-UHFFFAOYSA-N	1	1	419.570	1.912	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c1)CC2	ZINC000674421432	1074323984	/nfs/dbraw/zinc/32/39/84/1074323984.db2.gz	XFLIWFOJFBNWAU-LJQANCHMSA-N	1	1	424.505	1.303	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c1)CC2	ZINC000674421432	1074323988	/nfs/dbraw/zinc/32/39/88/1074323988.db2.gz	XFLIWFOJFBNWAU-LJQANCHMSA-N	1	1	424.505	1.303	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674427955	1074330586	/nfs/dbraw/zinc/33/05/86/1074330586.db2.gz	CQRYNAVYECXNQF-IBGZPJMESA-N	1	1	408.568	1.576	20	0		HDADMO
COc1cc(NC(=O)CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(OC)c1	ZINC000674434839	1074333249	/nfs/dbraw/zinc/33/32/49/1074333249.db2.gz	NLZTVADYSBSRDK-OAHLLOKOSA-N	1	1	419.526	1.110	20	0		HDADMO
COc1cc(NC(=O)CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(OC)c1	ZINC000674434839	1074333254	/nfs/dbraw/zinc/33/32/54/1074333254.db2.gz	NLZTVADYSBSRDK-OAHLLOKOSA-N	1	1	419.526	1.110	20	0		HDADMO
C[C@H](CCNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1	ZINC000674435411	1074333698	/nfs/dbraw/zinc/33/36/98/1074333698.db2.gz	REUKCKQOKXOGSL-TVTNDZMWSA-N	1	1	415.538	1.917	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1=O	ZINC000674437785	1074336053	/nfs/dbraw/zinc/33/60/53/1074336053.db2.gz	DERHMPFTGAURLM-QRWLVFNGSA-N	1	1	405.474	1.277	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)c1	ZINC000674440590	1074337022	/nfs/dbraw/zinc/33/70/22/1074337022.db2.gz	PNNXUQACZKSOGJ-GCJKJVERSA-N	1	1	413.522	1.543	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[NH+](CCc3cccs3)CC2)C1=O	ZINC000674439861	1074339029	/nfs/dbraw/zinc/33/90/29/1074339029.db2.gz	YXWQVHOBIVSYJS-YWZLYKJASA-N	1	1	419.551	1.338	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)[C@H](C)C1	ZINC000674432797	1074343909	/nfs/dbraw/zinc/34/39/09/1074343909.db2.gz	HWDGZKMPKUFDMM-JJDSTIRJSA-N	1	1	423.558	1.143	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1	ZINC000674448554	1074347438	/nfs/dbraw/zinc/34/74/38/1074347438.db2.gz	KPJLSJNRYMDYJR-DXEZIKHYSA-N	1	1	407.559	1.763	20	0		HDADMO
COc1cc(CN(C)C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1OCc1ccccc1	ZINC000674466134	1074356235	/nfs/dbraw/zinc/35/62/35/1074356235.db2.gz	UKWSWOOSLKHZQD-BGYRXZFFSA-N	1	1	414.502	1.660	20	0		HDADMO
COc1cc(CN(C)C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)ccc1OCc1ccccc1	ZINC000674466134	1074356246	/nfs/dbraw/zinc/35/62/46/1074356246.db2.gz	UKWSWOOSLKHZQD-BGYRXZFFSA-N	1	1	414.502	1.660	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CCN2C1=O	ZINC000674467539	1074366444	/nfs/dbraw/zinc/36/64/44/1074366444.db2.gz	GHMHJJNGRYDOLR-FZMZJTMJSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)COc3cccc(C(F)(F)F)c3)CCN2C1=O	ZINC000674469185	1074366866	/nfs/dbraw/zinc/36/68/66/1074366866.db2.gz	XHLKTUZNBQTMDX-DZGCQCFKSA-N	1	1	401.385	1.413	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3(CO)CCCCC3)cc2)CC1	ZINC000674485127	1074389066	/nfs/dbraw/zinc/38/90/66/1074389066.db2.gz	VLROBWFMKJAFSU-UHFFFAOYSA-N	1	1	416.522	1.072	20	0		HDADMO
COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000674499700	1074393131	/nfs/dbraw/zinc/39/31/31/1074393131.db2.gz	FDQQPLVAAAKABX-SFHVURJKSA-N	1	1	421.563	1.861	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000674499700	1074393137	/nfs/dbraw/zinc/39/31/37/1074393137.db2.gz	FDQQPLVAAAKABX-SFHVURJKSA-N	1	1	421.563	1.861	20	0		HDADMO
COC[C@H]1CCC[N@@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000674499952	1074393313	/nfs/dbraw/zinc/39/33/13/1074393313.db2.gz	KFVBOAYQKLRKOE-GOSISDBHSA-N	1	1	421.563	1.861	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000674499952	1074393321	/nfs/dbraw/zinc/39/33/21/1074393321.db2.gz	KFVBOAYQKLRKOE-GOSISDBHSA-N	1	1	421.563	1.861	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	ZINC000674499919	1074393375	/nfs/dbraw/zinc/39/33/75/1074393375.db2.gz	JGDWODQZOCQKAL-LJQANCHMSA-N	1	1	402.539	1.497	20	0		HDADMO
Nc1cc(Br)cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1N	ZINC001626099901	1074408626	/nfs/dbraw/zinc/40/86/26/1074408626.db2.gz	CDKVSHDJNRXCHN-UHFFFAOYSA-N	1	1	413.316	1.225	20	0		HDADMO
C[C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674514129	1074411096	/nfs/dbraw/zinc/41/10/96/1074411096.db2.gz	DIKGYCVTFHDYSV-FUHWJXTLSA-N	1	1	409.552	1.364	20	0		HDADMO
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC001626101032	1074416905	/nfs/dbraw/zinc/41/69/05/1074416905.db2.gz	MTVDVZFDSGSZSI-UHFFFAOYSA-N	1	1	421.485	1.534	20	0		HDADMO
CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[NH+]1CCCC1	ZINC000674566715	1074444038	/nfs/dbraw/zinc/44/40/38/1074444038.db2.gz	FAQSJMZCSWEWTD-INIZCTEOSA-N	1	1	415.943	1.085	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O	ZINC000674583192	1074448589	/nfs/dbraw/zinc/44/85/89/1074448589.db2.gz	JPLKPXQSAWFEET-JKSBSHDWSA-N	1	1	416.497	1.874	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O	ZINC000674594765	1074461856	/nfs/dbraw/zinc/46/18/56/1074461856.db2.gz	POGOYIAODYBECG-ROUUACIJSA-N	1	1	402.470	1.675	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O	ZINC000674594765	1074461858	/nfs/dbraw/zinc/46/18/58/1074461858.db2.gz	POGOYIAODYBECG-ROUUACIJSA-N	1	1	402.470	1.675	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1=O	ZINC000674606644	1074476863	/nfs/dbraw/zinc/47/68/63/1074476863.db2.gz	KCGGDFQINWCDGQ-CDMIOBSGSA-N	1	1	414.506	1.021	20	0		HDADMO
CC(C)([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1F	ZINC000429233844	1074477343	/nfs/dbraw/zinc/47/73/43/1074477343.db2.gz	APISTCHRXNQSSV-HZPDHXFCSA-N	1	1	412.527	1.845	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NCC1([NH+]3CCOCC3)CCCCC1)CC2	ZINC000674609661	1074478888	/nfs/dbraw/zinc/47/88/88/1074478888.db2.gz	WZASDJJCGZLVCY-UHFFFAOYSA-N	1	1	403.527	1.366	20	0		HDADMO
CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1ccccc1C	ZINC000674631317	1074494484	/nfs/dbraw/zinc/49/44/84/1074494484.db2.gz	NMOWOCITDRRVRU-WOJBJXKFSA-N	1	1	404.555	1.858	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000674655186	1074507489	/nfs/dbraw/zinc/50/74/89/1074507489.db2.gz	PYFLGZANBZQUGQ-HNNXBMFYSA-N	1	1	409.552	1.300	20	0		HDADMO
CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1	ZINC000142185703	1074515064	/nfs/dbraw/zinc/51/50/64/1074515064.db2.gz	HCULPBQSGYJGMH-UHFFFAOYSA-N	1	1	415.582	1.406	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000429239326	1074524097	/nfs/dbraw/zinc/52/40/97/1074524097.db2.gz	UJGLWGIAHWRPHK-UHFFFAOYSA-N	1	1	401.511	1.735	20	0		HDADMO
Cc1cnc([C@H](C)NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1	ZINC000674712267	1074531599	/nfs/dbraw/zinc/53/15/99/1074531599.db2.gz	OADOZDMRJBEUCK-INIZCTEOSA-N	1	1	407.584	1.646	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(S(N)(=O)=O)oc3C)cc2)CC1	ZINC000674713186	1074532622	/nfs/dbraw/zinc/53/26/22/1074532622.db2.gz	UGGJWABFGJQRDT-UHFFFAOYSA-N	1	1	420.491	1.265	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCCC[C@H]2CO)C2CCCC2)c(=O)[nH]c1=O	ZINC000674714005	1074533511	/nfs/dbraw/zinc/53/35/11/1074533511.db2.gz	KRBGKTPNYBGNHR-INIZCTEOSA-N	1	1	421.542	1.454	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@H+]2CCCC[C@H]2CO)C2CCCC2)c(=O)[nH]c1=O	ZINC000674714005	1074533517	/nfs/dbraw/zinc/53/35/17/1074533517.db2.gz	KRBGKTPNYBGNHR-INIZCTEOSA-N	1	1	421.542	1.454	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000674714002	1074533576	/nfs/dbraw/zinc/53/35/76/1074533576.db2.gz	KMXGVYOGMQCNFE-INIZCTEOSA-N	1	1	415.943	1.020	20	0		HDADMO
COC(=O)c1cc(Cl)cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1	ZINC000766065015	1074543726	/nfs/dbraw/zinc/54/37/26/1074543726.db2.gz	MTNQGICHFGLVBB-MRXNPFEDSA-N	1	1	408.886	1.897	20	0		HDADMO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1	ZINC000674777574	1074552803	/nfs/dbraw/zinc/55/28/03/1074552803.db2.gz	IUJSHHNGJSZGKQ-QGZVFWFLSA-N	1	1	419.551	1.130	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1	ZINC000674761229	1074554649	/nfs/dbraw/zinc/55/46/49/1074554649.db2.gz	AYBXNAUHDJNBPA-RHSMWYFYSA-N	1	1	405.524	1.965	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1	ZINC000674764895	1074559592	/nfs/dbraw/zinc/55/95/92/1074559592.db2.gz	MGLUFQGVQHTWSS-SFHVURJKSA-N	1	1	419.489	1.629	20	0		HDADMO
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674786011	1074565618	/nfs/dbraw/zinc/56/56/18/1074565618.db2.gz	PRHBPNQVXXQHEC-AEFFLSMTSA-N	1	1	419.551	1.115	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000674828233	1074587016	/nfs/dbraw/zinc/58/70/16/1074587016.db2.gz	YRQNMQBMYXUMSK-KRWDZBQOSA-N	1	1	409.552	1.639	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1	ZINC000674922680	1074623061	/nfs/dbraw/zinc/62/30/61/1074623061.db2.gz	PUDGCXXZQDEJMM-RTWAWAEBSA-N	1	1	421.538	1.733	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O	ZINC000674926512	1074624207	/nfs/dbraw/zinc/62/42/07/1074624207.db2.gz	BSVIFQVWWLYLDN-WMZOPIPTSA-N	1	1	415.538	1.268	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O	ZINC000674926512	1074624215	/nfs/dbraw/zinc/62/42/15/1074624215.db2.gz	BSVIFQVWWLYLDN-WMZOPIPTSA-N	1	1	415.538	1.268	20	0		HDADMO
C[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000674928127	1074625641	/nfs/dbraw/zinc/62/56/41/1074625641.db2.gz	VNKAHZAYZNZCTN-VMXMFDLUSA-N	1	1	403.523	1.865	20	0		HDADMO
C[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000674928127	1074625648	/nfs/dbraw/zinc/62/56/48/1074625648.db2.gz	VNKAHZAYZNZCTN-VMXMFDLUSA-N	1	1	403.523	1.865	20	0		HDADMO
O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000674916894	1074627393	/nfs/dbraw/zinc/62/73/93/1074627393.db2.gz	GXAMURUBFUDOHN-FGZHOGPDSA-N	1	1	416.566	1.784	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(OCCCO)CC1	ZINC000674982409	1074658441	/nfs/dbraw/zinc/65/84/41/1074658441.db2.gz	COQNBPLNTRUDNZ-IBGZPJMESA-N	1	1	404.555	1.770	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NC[C@@H]2CCCS2)cc1	ZINC000674983429	1074659136	/nfs/dbraw/zinc/65/91/36/1074659136.db2.gz	UDDOMDXEYFMMHJ-SFHVURJKSA-N	1	1	405.568	1.914	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000766088705	1074682696	/nfs/dbraw/zinc/68/26/96/1074682696.db2.gz	OZXDVTLLHMCGDB-GFCCVEGCSA-N	1	1	410.312	1.780	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2cnn3cccnc23)CC1	ZINC001128932317	1074693401	/nfs/dbraw/zinc/69/34/01/1074693401.db2.gz	RTNKVHRPYCEHTP-UHFFFAOYSA-N	1	1	416.283	1.891	20	0		HDADMO
COC(=O)NCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC001128932817	1074694021	/nfs/dbraw/zinc/69/40/21/1074694021.db2.gz	YBYFIVGSLMVCFF-UHFFFAOYSA-N	1	1	400.277	1.281	20	0		HDADMO
CC(C)(C)N1C[C@@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1=O	ZINC000429314323	1074709589	/nfs/dbraw/zinc/70/95/89/1074709589.db2.gz	VWYBKXMOHGIWBC-IBGZPJMESA-N	1	1	417.554	1.715	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)s1	ZINC000532435421	1074709799	/nfs/dbraw/zinc/70/97/99/1074709799.db2.gz	OUMDTVURMMZZFV-UONOGXRCSA-N	1	1	411.528	1.799	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C[N@H+]1Cc1ccccc1	ZINC000675102626	1074718762	/nfs/dbraw/zinc/71/87/62/1074718762.db2.gz	KILNMTZCXQUCGP-PBHICJAKSA-N	1	1	420.510	1.935	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1	ZINC000675107627	1074722373	/nfs/dbraw/zinc/72/23/73/1074722373.db2.gz	XECTXBUFQOBFIS-VIRVFLBCSA-N	1	1	413.522	1.669	20	0		HDADMO
O=C1c2ccc(Br)cc2C(=O)N1CN1CCC[C@@H]1C[NH+]1CCOCC1	ZINC000766091363	1074726045	/nfs/dbraw/zinc/72/60/45/1074726045.db2.gz	IAWSXNGLKQSPLW-CQSZACIVSA-N	1	1	408.296	1.799	20	0		HDADMO
COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[N@@H+](Cc3ccccc3C)CC1)CC2	ZINC000675118037	1074726549	/nfs/dbraw/zinc/72/65/49/1074726549.db2.gz	CFVUOXZJLBMWLP-IBGZPJMESA-N	1	1	412.538	1.965	20	0		HDADMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000543614265	1074728714	/nfs/dbraw/zinc/72/87/14/1074728714.db2.gz	CBIONFOPODJQFK-MSOLQXFVSA-N	1	1	400.527	1.560	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1	ZINC000675127036	1074731121	/nfs/dbraw/zinc/73/11/21/1074731121.db2.gz	YXYSGCCBWJNMSC-AEFFLSMTSA-N	1	1	404.474	1.985	20	0		HDADMO
Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc12	ZINC000675126850	1074731721	/nfs/dbraw/zinc/73/17/21/1074731721.db2.gz	PJETUEDZXFILGB-KDOFPFPSSA-N	1	1	406.490	1.994	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)c2)C[C@H](C)O1	ZINC000675127253	1074734204	/nfs/dbraw/zinc/73/42/04/1074734204.db2.gz	CBUSNIUKQMFDSX-LRNSACPNSA-N	1	1	403.523	1.902	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)c2)C[C@H](C)O1	ZINC000675127253	1074734210	/nfs/dbraw/zinc/73/42/10/1074734210.db2.gz	CBUSNIUKQMFDSX-LRNSACPNSA-N	1	1	403.523	1.902	20	0		HDADMO
O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccccc1CN1CCNC1=O	ZINC000543615388	1074734982	/nfs/dbraw/zinc/73/49/82/1074734982.db2.gz	ZSTXXUFEUBXGND-VQTJNVASSA-N	1	1	423.517	1.969	20	0		HDADMO
CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1	ZINC000447426792	1074739575	/nfs/dbraw/zinc/73/95/75/1074739575.db2.gz	NOBUHPUKMHJEAM-UHFFFAOYSA-N	1	1	418.929	2.157	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)nn1-c1ccc(F)cc1F	ZINC000554763509	1074746377	/nfs/dbraw/zinc/74/63/77/1074746377.db2.gz	BOWOJFMKTPQMMQ-UHFFFAOYSA-N	1	1	403.433	2.166	20	0		HDADMO
Cc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c(O[C@H]2CCOC2)c1	ZINC000675176061	1074748970	/nfs/dbraw/zinc/74/89/70/1074748970.db2.gz	RBPHJVDWUBCBSV-IBGZPJMESA-N	1	1	404.555	1.988	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@H]21	ZINC000766096753	1074750234	/nfs/dbraw/zinc/75/02/34/1074750234.db2.gz	HDAJISIPRZWPBB-GOEBONIOSA-N	1	1	422.482	1.739	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@@H]21	ZINC000766096754	1074750261	/nfs/dbraw/zinc/75/02/61/1074750261.db2.gz	HDAJISIPRZWPBB-HOCLYGCPSA-N	1	1	422.482	1.739	20	0		HDADMO
NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1	ZINC000429244639	1074751863	/nfs/dbraw/zinc/75/18/63/1074751863.db2.gz	HEYPQHICCVMDND-SFHVURJKSA-N	1	1	409.552	1.131	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)CC[C@@H]21	ZINC000766097532	1074753607	/nfs/dbraw/zinc/75/36/07/1074753607.db2.gz	MGBQSUUGHZLJAF-NYILCQPWSA-N	1	1	424.545	1.732	20	0		HDADMO
Cc1cc(Br)ncc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000766096418	1074754380	/nfs/dbraw/zinc/75/43/80/1074754380.db2.gz	SYAOCCJRENBZAB-AWEZNQCLSA-N	1	1	410.316	1.923	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCCc3ccc4c(c3)OCCO4)CC2)C1	ZINC000675201807	1074756398	/nfs/dbraw/zinc/75/63/98/1074756398.db2.gz	NHOSXEXSTLGVEL-IBGZPJMESA-N	1	1	402.539	1.812	20	0		HDADMO
Cc1coc(-c2cccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c2)n1	ZINC000675209541	1074758455	/nfs/dbraw/zinc/75/84/55/1074758455.db2.gz	DZLLHHFDUCQUSE-LJQANCHMSA-N	1	1	411.506	1.827	20	0		HDADMO
O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000675219310	1074762654	/nfs/dbraw/zinc/76/26/54/1074762654.db2.gz	NMSIDTWPSNOWMY-INIZCTEOSA-N	1	1	410.312	1.502	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@H]21	ZINC000766098467	1074764902	/nfs/dbraw/zinc/76/49/02/1074764902.db2.gz	QZTICIXHHQPZLW-WMLDXEAASA-N	1	1	403.504	1.550	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000675250940	1074769375	/nfs/dbraw/zinc/76/93/75/1074769375.db2.gz	ATXDVRGOHLXFRG-GOSISDBHSA-N	1	1	403.508	1.102	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000675250940	1074769384	/nfs/dbraw/zinc/76/93/84/1074769384.db2.gz	ATXDVRGOHLXFRG-GOSISDBHSA-N	1	1	403.508	1.102	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nn1-c1ccc(F)cc1F	ZINC000573244517	1074771652	/nfs/dbraw/zinc/77/16/52/1074771652.db2.gz	JFLYTMDYRAXHAM-WBVHZDCISA-N	1	1	403.433	2.140	20	0		HDADMO
CN(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCN(S(C)(=O)=O)CC1	ZINC000675274035	1074782828	/nfs/dbraw/zinc/78/28/28/1074782828.db2.gz	YIZZBYULTTWASN-LJQANCHMSA-N	1	1	422.595	1.964	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[NH+]1CCOCC1	ZINC000433664780	1074784747	/nfs/dbraw/zinc/78/47/47/1074784747.db2.gz	QEYFHTLRDDVWCW-GOSISDBHSA-N	1	1	401.515	2.136	20	0		HDADMO
NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)cc1	ZINC000675324527	1074799899	/nfs/dbraw/zinc/79/98/99/1074799899.db2.gz	FXSOADSIXZTBQS-UHFFFAOYSA-N	1	1	401.488	1.794	20	0		HDADMO
C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1	ZINC000675363738	1074813805	/nfs/dbraw/zinc/81/38/05/1074813805.db2.gz	PLGLBRNLBSHIFL-ABAIWWIYSA-N	1	1	413.305	1.425	20	0		HDADMO
C[C@@H](C[C@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000675366873	1074818124	/nfs/dbraw/zinc/81/81/24/1074818124.db2.gz	DTXZGHSGXNKWCL-DLBZAZTESA-N	1	1	424.567	1.949	20	0		HDADMO
C[C@@H](C[C@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000675366873	1074818129	/nfs/dbraw/zinc/81/81/29/1074818129.db2.gz	DTXZGHSGXNKWCL-DLBZAZTESA-N	1	1	424.567	1.949	20	0		HDADMO
COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1	ZINC000670510575	1075094142	/nfs/dbraw/zinc/09/41/42/1075094142.db2.gz	QAVHIMZDBSOICW-UTKZUKDTSA-N	1	1	416.566	1.795	20	0		HDADMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000571559880	1075096357	/nfs/dbraw/zinc/09/63/57/1075096357.db2.gz	CGTBIOUVBLIFFC-AWEZNQCLSA-N	1	1	406.918	2.155	20	0		HDADMO
CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000546585146	1075102159	/nfs/dbraw/zinc/10/21/59/1075102159.db2.gz	FIXQXWFNKHZZMX-HOCLYGCPSA-N	1	1	404.471	2.196	20	0		HDADMO
CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000546585146	1075102162	/nfs/dbraw/zinc/10/21/62/1075102162.db2.gz	FIXQXWFNKHZZMX-HOCLYGCPSA-N	1	1	404.471	2.196	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]21	ZINC001299295603	1075118848	/nfs/dbraw/zinc/11/88/48/1075118848.db2.gz	GIDLWMPDKBJOOQ-QZTJIDSGSA-N	1	1	404.540	1.194	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]21	ZINC001299295603	1075118850	/nfs/dbraw/zinc/11/88/50/1075118850.db2.gz	GIDLWMPDKBJOOQ-QZTJIDSGSA-N	1	1	404.540	1.194	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)CC1	ZINC000041667574	1075121142	/nfs/dbraw/zinc/12/11/42/1075121142.db2.gz	WBIAURFFBVOOBR-UHFFFAOYSA-N	1	1	408.546	1.799	20	0		HDADMO
O=C(Nc1ccccc1O[C@@H]1CCOC1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000675402010	1075126673	/nfs/dbraw/zinc/12/66/73/1075126673.db2.gz	YAHSCNAHIAYUCX-QZTJIDSGSA-N	1	1	417.506	1.506	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)no1	ZINC000461277285	1075130380	/nfs/dbraw/zinc/13/03/80/1075130380.db2.gz	JUKCDDFWJXLYPY-UHFFFAOYSA-N	1	1	423.583	1.721	20	0		HDADMO
C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000675412978	1075137473	/nfs/dbraw/zinc/13/74/73/1075137473.db2.gz	ZQIBKITWSLRGLY-ROUUACIJSA-N	1	1	418.538	1.183	20	0		HDADMO
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)CC(=O)N3CC[NH+](C)CC3)n2)n1	ZINC000675423160	1075139214	/nfs/dbraw/zinc/13/92/14/1075139214.db2.gz	UWUNQLNBGQBVKE-UHFFFAOYSA-N	1	1	404.902	1.384	20	0		HDADMO
O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000559643239	1075150554	/nfs/dbraw/zinc/15/05/54/1075150554.db2.gz	BPPHBVKGZIDMGB-CYBMUJFWSA-N	1	1	418.295	1.926	20	0		HDADMO
CC1(C)c2cc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)ccc2NC1=O	ZINC000675457984	1075156625	/nfs/dbraw/zinc/15/66/25/1075156625.db2.gz	AWMXAXWAVRJUGH-KRWDZBQOSA-N	1	1	420.535	1.019	20	0		HDADMO
CC1(C)c2cc(S(=O)(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)ccc2NC1=O	ZINC000675457984	1075156628	/nfs/dbraw/zinc/15/66/28/1075156628.db2.gz	AWMXAXWAVRJUGH-KRWDZBQOSA-N	1	1	420.535	1.019	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466680580	1075161833	/nfs/dbraw/zinc/16/18/33/1075161833.db2.gz	LWWFIWRTQLMATQ-XLIONFOSSA-N	1	1	423.517	1.636	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)C1	ZINC000675461536	1075163380	/nfs/dbraw/zinc/16/33/80/1075163380.db2.gz	NJUIJAOIBOHWSI-OAHLLOKOSA-N	1	1	406.552	1.317	20	0		HDADMO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2O1	ZINC000675470027	1075164750	/nfs/dbraw/zinc/16/47/50/1075164750.db2.gz	AVVGGVIKZWQRCG-AWEZNQCLSA-N	1	1	410.517	1.608	20	0		HDADMO
O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000490386653	1075167378	/nfs/dbraw/zinc/16/73/78/1075167378.db2.gz	UZEABGGQOHQFEA-KGLIPLIRSA-N	1	1	422.411	1.968	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2nnn(C(C)C)c2C)C3)CC[N@H+]1C	ZINC001005714738	1075167581	/nfs/dbraw/zinc/16/75/81/1075167581.db2.gz	NQKBOJWVWWMIEF-ILOCAZANSA-N	1	1	402.543	1.759	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000144354942	1075170012	/nfs/dbraw/zinc/17/00/12/1075170012.db2.gz	GCUBYJBKPQFECW-CHWSQXEVSA-N	1	1	413.421	1.810	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000144354942	1075170015	/nfs/dbraw/zinc/17/00/15/1075170015.db2.gz	GCUBYJBKPQFECW-CHWSQXEVSA-N	1	1	413.421	1.810	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C	ZINC000472409902	1075171508	/nfs/dbraw/zinc/17/15/08/1075171508.db2.gz	IKDMCVPMSSUEOJ-HKUYNNGSSA-N	1	1	413.522	1.966	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)C1	ZINC000537439745	1075171794	/nfs/dbraw/zinc/17/17/94/1075171794.db2.gz	UVDKXYOJORVCSL-OAHLLOKOSA-N	1	1	405.886	1.610	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cn(-c2ccccc2)nn1	ZINC000675486254	1075172969	/nfs/dbraw/zinc/17/29/69/1075172969.db2.gz	XMJWOYJPSOUOSA-ZWKOTPCHSA-N	1	1	413.526	1.034	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2coc(CC4CC4)n2)C3)O1	ZINC001005730971	1075178211	/nfs/dbraw/zinc/17/82/11/1075178211.db2.gz	XBGCAVUVMYRSBV-FIFHEGHSSA-N	1	1	402.495	1.208	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2coc(CC4CC4)n2)C3)O1	ZINC001005730971	1075178216	/nfs/dbraw/zinc/17/82/16/1075178216.db2.gz	XBGCAVUVMYRSBV-FIFHEGHSSA-N	1	1	402.495	1.208	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1	ZINC000675497432	1075178889	/nfs/dbraw/zinc/17/88/89/1075178889.db2.gz	HNXFDYKCVNSJNX-SFHVURJKSA-N	1	1	409.469	1.946	20	0		HDADMO
Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000509347290	1075183242	/nfs/dbraw/zinc/18/32/42/1075183242.db2.gz	ZWNVHCDVMXKOEU-CQSZACIVSA-N	1	1	423.560	1.855	20	0		HDADMO
Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000509347290	1075183245	/nfs/dbraw/zinc/18/32/45/1075183245.db2.gz	ZWNVHCDVMXKOEU-CQSZACIVSA-N	1	1	423.560	1.855	20	0		HDADMO
COc1cc2cc(C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)[nH]c2c(OC)c1OC	ZINC000675518882	1075184669	/nfs/dbraw/zinc/18/46/69/1075184669.db2.gz	FMXMEKMXSOEESA-UHFFFAOYSA-N	1	1	418.494	1.430	20	0		HDADMO
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000675519220	1075184700	/nfs/dbraw/zinc/18/47/00/1075184700.db2.gz	VZVVCVRDDIJTFA-LJQANCHMSA-N	1	1	406.502	1.203	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446876916	1075187421	/nfs/dbraw/zinc/18/74/21/1075187421.db2.gz	VXJWCAJGBJHJFZ-INIZCTEOSA-N	1	1	405.449	2.210	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(CCOC)n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000438654368	1075187809	/nfs/dbraw/zinc/18/78/09/1075187809.db2.gz	HTSQNRBSEKFUAZ-HKUYNNGSSA-N	1	1	413.522	2.152	20	0		HDADMO
CN1CCc2ccc(NC(=O)C(=O)N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)cc2C1=O	ZINC000675514203	1075191808	/nfs/dbraw/zinc/19/18/08/1075191808.db2.gz	YQMXHRRZOWCFOW-FQEVSTJZSA-N	1	1	420.513	1.986	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2)CC1	ZINC000675531823	1075192774	/nfs/dbraw/zinc/19/27/74/1075192774.db2.gz	OOHPRWPBLXKUNS-MOPGFXCFSA-N	1	1	413.522	1.739	20	0		HDADMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1	ZINC000550839421	1075193295	/nfs/dbraw/zinc/19/32/95/1075193295.db2.gz	ZTKPJDRFTSOEAZ-CQSZACIVSA-N	1	1	415.460	1.819	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675558537	1075202706	/nfs/dbraw/zinc/20/27/06/1075202706.db2.gz	LGFQNTQARSKTFJ-MSOLQXFVSA-N	1	1	407.559	1.019	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)no1	ZINC000470473264	1075204485	/nfs/dbraw/zinc/20/44/85/1075204485.db2.gz	KPOCMMWRVDFZON-DZGCQCFKSA-N	1	1	410.540	1.755	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1=O	ZINC000675572762	1075208966	/nfs/dbraw/zinc/20/89/66/1075208966.db2.gz	CLAAAUDLECXIPV-GBESFXJTSA-N	1	1	404.555	1.227	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1	ZINC000675583085	1075213160	/nfs/dbraw/zinc/21/31/60/1075213160.db2.gz	BBDAAODMCZJZAQ-QGZVFWFLSA-N	1	1	412.538	1.826	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000675587190	1075216426	/nfs/dbraw/zinc/21/64/26/1075216426.db2.gz	YCHNHZZWIHPQCZ-QUCCMNQESA-N	1	1	411.506	1.781	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000675586616	1075217235	/nfs/dbraw/zinc/21/72/35/1075217235.db2.gz	WHECYVGNCJWEJR-HXUWFJFHSA-N	1	1	411.506	1.565	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)Nc2nn(-c3ncccc3F)cc2C)CC1	ZINC000448334831	1075231703	/nfs/dbraw/zinc/23/17/03/1075231703.db2.gz	LEGBXTIKWNPGIS-UHFFFAOYSA-N	1	1	403.506	2.254	20	0		HDADMO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000605995398	1075235701	/nfs/dbraw/zinc/23/57/01/1075235701.db2.gz	GMDIKMLERBXLOE-LJQANCHMSA-N	1	1	404.474	1.656	20	0		HDADMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1	ZINC000675598769	1075236870	/nfs/dbraw/zinc/23/68/70/1075236870.db2.gz	SDSNOEOYSSNWPW-GOSISDBHSA-N	1	1	400.523	1.842	20	0		HDADMO
C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1	ZINC000509359240	1075240950	/nfs/dbraw/zinc/24/09/50/1075240950.db2.gz	QWXRELDKYXGABI-OAHLLOKOSA-N	1	1	410.478	1.013	20	0		HDADMO
CCN1C(=O)N=NC1C1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1	ZINC000675609861	1075244711	/nfs/dbraw/zinc/24/47/11/1075244711.db2.gz	VKGASJRDXFMTPK-IBGZPJMESA-N	1	1	412.538	1.698	20	0		HDADMO
COCCOCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC001129036348	1075248212	/nfs/dbraw/zinc/24/82/12/1075248212.db2.gz	WPYAUWSRHVVQIP-UHFFFAOYSA-N	1	1	401.305	1.588	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CCc2cncnc2)CC1	ZINC001129036863	1075248860	/nfs/dbraw/zinc/24/88/60/1075248860.db2.gz	ZQEJYDNLSIIAIZ-UHFFFAOYSA-N	1	1	405.300	1.957	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC1	ZINC000675711128	1075259597	/nfs/dbraw/zinc/25/95/97/1075259597.db2.gz	QDCZLYQIZOTLNA-KRWDZBQOSA-N	1	1	402.605	1.954	20	0		HDADMO
O=c1[nH]c(CN2CC[NH+](CCN3CCOCC3)CC2)nc2sc3c(c21)CCCC3	ZINC000675721329	1075262238	/nfs/dbraw/zinc/26/22/38/1075262238.db2.gz	RJFLULBNLNHIIM-UHFFFAOYSA-N	1	1	417.579	1.726	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000804221142	1075262878	/nfs/dbraw/zinc/26/28/78/1075262878.db2.gz	RPCQHYQHGRQZFD-BBWFWOEESA-N	1	1	412.575	1.985	20	0		HDADMO
COc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1	ZINC001005765376	1075263743	/nfs/dbraw/zinc/26/37/43/1075263743.db2.gz	DJWGPRNFEGOVAX-KGCBIMRHSA-N	1	1	403.498	1.965	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000501252770	1075268361	/nfs/dbraw/zinc/26/83/61/1075268361.db2.gz	UJHIXQFBJPQHJV-HZSPNIEDSA-N	1	1	411.528	1.749	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000501252770	1075268364	/nfs/dbraw/zinc/26/83/64/1075268364.db2.gz	UJHIXQFBJPQHJV-HZSPNIEDSA-N	1	1	411.528	1.749	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)s1	ZINC000501252772	1075268433	/nfs/dbraw/zinc/26/84/33/1075268433.db2.gz	UJHIXQFBJPQHJV-MGPQQGTHSA-N	1	1	411.528	1.749	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000501252773	1075268756	/nfs/dbraw/zinc/26/87/56/1075268756.db2.gz	UJHIXQFBJPQHJV-MJBXVCDLSA-N	1	1	411.528	1.749	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000501252773	1075268757	/nfs/dbraw/zinc/26/87/57/1075268757.db2.gz	UJHIXQFBJPQHJV-MJBXVCDLSA-N	1	1	411.528	1.749	20	0		HDADMO
CN(CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)S(C)(=O)=O	ZINC000675810451	1075275106	/nfs/dbraw/zinc/27/51/06/1075275106.db2.gz	LXXTYUWWIXACBR-WOJBJXKFSA-N	1	1	422.595	1.964	20	0		HDADMO
CN(CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)S(C)(=O)=O	ZINC000675810449	1075275165	/nfs/dbraw/zinc/27/51/65/1075275165.db2.gz	LXXTYUWWIXACBR-VQTJNVASSA-N	1	1	422.595	1.964	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[N@H+]1Cc1ccccc1	ZINC000466705515	1075285127	/nfs/dbraw/zinc/28/51/27/1075285127.db2.gz	OBNDKZMTSZGPSP-WMZOPIPTSA-N	1	1	424.501	1.659	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000543651271	1075285252	/nfs/dbraw/zinc/28/52/52/1075285252.db2.gz	JGZCDGFZUUOOOB-MRXNPFEDSA-N	1	1	404.511	1.700	20	0		HDADMO
CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)C[C@H]2C)CC1	ZINC000675870186	1075285880	/nfs/dbraw/zinc/28/58/80/1075285880.db2.gz	YMPUBBPJRXRUHM-YVWKXTFCSA-N	1	1	418.538	1.435	20	0		HDADMO
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000675895866	1075287728	/nfs/dbraw/zinc/28/77/28/1075287728.db2.gz	JQITYTYARQRXDD-HSALFYBXSA-N	1	1	405.564	1.924	20	0		HDADMO
CC(C)N1CC[C@H]([N@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1=O	ZINC001035207593	1075288825	/nfs/dbraw/zinc/28/88/25/1075288825.db2.gz	XMMIHAROEZICRV-XUFBONQXSA-N	1	1	401.551	1.734	20	0		HDADMO
Cc1c([C@H](C)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1	ZINC000675885461	1075289096	/nfs/dbraw/zinc/28/90/96/1075289096.db2.gz	BDKADIQWHHMCGU-LPHOPBHVSA-N	1	1	402.518	1.772	20	0		HDADMO
Cc1c([C@H](C)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1	ZINC000675885461	1075289098	/nfs/dbraw/zinc/28/90/98/1075289098.db2.gz	BDKADIQWHHMCGU-LPHOPBHVSA-N	1	1	402.518	1.772	20	0		HDADMO
Cc1ccc(N2CCC(NC(=O)C(=O)Nc3nnc(C(C)(C)C)s3)CC2)[nH+]c1	ZINC000442060588	1075293512	/nfs/dbraw/zinc/29/35/12/1075293512.db2.gz	RZLPZQZTEBRCQS-UHFFFAOYSA-N	1	1	402.524	2.263	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466706637	1075297829	/nfs/dbraw/zinc/29/78/29/1075297829.db2.gz	QSQJZEHPGZPSIL-WMLDXEAASA-N	1	1	408.458	1.849	20	0		HDADMO
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1	ZINC000675940605	1075301680	/nfs/dbraw/zinc/30/16/80/1075301680.db2.gz	IMBGJGCNBALRCD-CYBMUJFWSA-N	1	1	414.319	1.999	20	0		HDADMO
COc1cc(C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)ccc1OCC(N)=O	ZINC000731299192	1075302148	/nfs/dbraw/zinc/30/21/48/1075302148.db2.gz	KVSINHNRKVFYKE-MRXNPFEDSA-N	1	1	414.462	1.792	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)c3cccc(CN4C(=O)CNC4=O)c3)C2)nc(C)[nH+]1	ZINC000731296102	1075305630	/nfs/dbraw/zinc/30/56/30/1075305630.db2.gz	FMKGZYUMPGFSIN-SFHVURJKSA-N	1	1	423.473	1.971	20	0		HDADMO
COC1CC[NH+](CCN[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1	ZINC000675929642	1075305905	/nfs/dbraw/zinc/30/59/05/1075305905.db2.gz	YCBKXSFVRWHJCR-KRWDZBQOSA-N	1	1	411.568	1.469	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)C2)nc(C)[nH+]1	ZINC000731297504	1075306533	/nfs/dbraw/zinc/30/65/33/1075306533.db2.gz	WASUDZYMZBHSDL-HNNXBMFYSA-N	1	1	409.446	1.721	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)[C@H]1C(C)C	ZINC000429386068	1075307284	/nfs/dbraw/zinc/30/72/84/1075307284.db2.gz	PERBWVACBJHCGA-UGKGYDQZSA-N	1	1	415.534	1.945	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000542295362	1075307745	/nfs/dbraw/zinc/30/77/45/1075307745.db2.gz	WXJSZLHXTDAVBW-HOTGVXAUSA-N	1	1	419.526	1.648	20	0		HDADMO
COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1	ZINC000675971757	1075312675	/nfs/dbraw/zinc/31/26/75/1075312675.db2.gz	BPOMYHDQXIBPKX-UHFFFAOYSA-N	1	1	412.490	1.911	20	0		HDADMO
COc1ccc2[nH]cc(CCNC(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c2c1	ZINC000675987803	1075314895	/nfs/dbraw/zinc/31/48/95/1075314895.db2.gz	SETAIZVHGBUYCF-HXUWFJFHSA-N	1	1	413.522	1.667	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1	ZINC000675996477	1075319719	/nfs/dbraw/zinc/31/97/19/1075319719.db2.gz	FSPSIXZCUZPTND-UXHICEINSA-N	1	1	410.522	1.572	20	0		HDADMO
O=C(NC[C@H](O)COc1ccccc1Br)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000675994322	1075319821	/nfs/dbraw/zinc/31/98/21/1075319821.db2.gz	AIOWSTGZUSWWIA-CABCVRRESA-N	1	1	412.328	1.972	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)N2CCCC2)cc1	ZINC000532997331	1075330593	/nfs/dbraw/zinc/33/05/93/1075330593.db2.gz	WCBXDMNTCRQQDR-LJQANCHMSA-N	1	1	412.538	1.645	20	0		HDADMO
CN(C)c1ccc(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1	ZINC000731409187	1075333409	/nfs/dbraw/zinc/33/34/09/1075333409.db2.gz	IGDRYTFXEVPHBR-UHFFFAOYSA-N	1	1	415.538	1.094	20	0		HDADMO
COC(=O)c1cn(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1	ZINC000546810020	1075335970	/nfs/dbraw/zinc/33/59/70/1075335970.db2.gz	JGYNGEYFCHLBEF-LBPRGKRZSA-N	1	1	401.423	1.458	20	0		HDADMO
C[C@@H]1C[C@H](CCNC(=O)C(=O)NCCOc2cccnc2)C[N@H+]1Cc1ccccc1	ZINC000804078048	1075338434	/nfs/dbraw/zinc/33/84/34/1075338434.db2.gz	UEVMNATTYOJAJG-QUCCMNQESA-N	1	1	410.518	1.994	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC2N=NC(=S)N2C(C)C)CC1=O	ZINC000731447278	1075344165	/nfs/dbraw/zinc/34/41/65/1075344165.db2.gz	UIDSEAWZWNZTJA-HUUCEWRRSA-N	1	1	408.572	1.139	20	0		HDADMO
COCCc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)n1	ZINC000676092385	1075352476	/nfs/dbraw/zinc/35/24/76/1075352476.db2.gz	FWJWXHQHNGXVHD-SFHVURJKSA-N	1	1	413.522	1.576	20	0		HDADMO
CO[C@@H](C)c1noc(CN2CCCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)n1	ZINC000543654857	1075353311	/nfs/dbraw/zinc/35/33/11/1075353311.db2.gz	UXIGPNGFMHRODJ-HNNXBMFYSA-N	1	1	402.499	1.587	20	0		HDADMO
Cc1c(C(=O)N(C)c2ccc(C(N)=O)cc2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000731460953	1075356165	/nfs/dbraw/zinc/35/61/65/1075356165.db2.gz	GDIOFOATWGJNGW-UHFFFAOYSA-N	1	1	404.474	1.939	20	0		HDADMO
Cc1c(C(=O)Nc2ccc(-n3nccn3)nc2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731459840	1075356253	/nfs/dbraw/zinc/35/62/53/1075356253.db2.gz	QQFMDLOEHCUWMR-UHFFFAOYSA-N	1	1	415.461	1.792	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)[C@@H](C(=O)OC)C1	ZINC000509380866	1075356603	/nfs/dbraw/zinc/35/66/03/1075356603.db2.gz	QWDRFAMUDZHUJU-NVXWUHKLSA-N	1	1	423.535	1.617	20	0		HDADMO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676094195	1075356939	/nfs/dbraw/zinc/35/69/39/1075356939.db2.gz	SXPOBWHNXJZSLF-UHFFFAOYSA-N	1	1	410.453	1.935	20	0		HDADMO
Cn1c2ccc(S(=O)(=O)N3C[C@@H]([NH+](C)C)Cc4ccccc43)cc2n(C)c1=O	ZINC000731466343	1075357685	/nfs/dbraw/zinc/35/76/85/1075357685.db2.gz	AIMPSQBDANLATE-HNNXBMFYSA-N	1	1	400.504	1.559	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000731474643	1075361161	/nfs/dbraw/zinc/36/11/61/1075361161.db2.gz	ZNKWHKOPFOMSPA-UHFFFAOYSA-N	1	1	412.556	1.113	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)C1	ZINC000676097830	1075361702	/nfs/dbraw/zinc/36/17/02/1075361702.db2.gz	VTZPKWLPJBRWDK-HXUWFJFHSA-N	1	1	404.474	1.939	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[N@@H+]1Cc1ccccc1	ZINC000676099073	1075366430	/nfs/dbraw/zinc/36/64/30/1075366430.db2.gz	BQFBNACBWMZXLW-WMZOPIPTSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[N@H+]1Cc1ccccc1	ZINC000676099073	1075366434	/nfs/dbraw/zinc/36/64/34/1075366434.db2.gz	BQFBNACBWMZXLW-WMZOPIPTSA-N	1	1	404.474	1.985	20	0		HDADMO
CCOc1ccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3cc(C)on3)CC2)cc1	ZINC000480400744	1075370963	/nfs/dbraw/zinc/37/09/63/1075370963.db2.gz	IQPQOSPWWDVHBW-UHFFFAOYSA-N	1	1	415.494	1.967	20	0		HDADMO
COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000466713945	1075379423	/nfs/dbraw/zinc/37/94/23/1075379423.db2.gz	SHBZGXCOTQQDBT-FUHWJXTLSA-N	1	1	412.490	1.825	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804088227	1075379801	/nfs/dbraw/zinc/37/98/01/1075379801.db2.gz	BEUHUBOMJNHUNV-ANQUJSFKSA-N	1	1	408.543	1.537	20	0		HDADMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804088389	1075379858	/nfs/dbraw/zinc/37/98/58/1075379858.db2.gz	MIBBWSCYSYCTET-XMTFNYHQSA-N	1	1	422.570	1.881	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C	ZINC000804089661	1075381793	/nfs/dbraw/zinc/38/17/93/1075381793.db2.gz	CTXNMRMTGGYGGU-WCXIOVBPSA-N	1	1	410.559	1.880	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cn1	ZINC000676129448	1075389928	/nfs/dbraw/zinc/38/99/28/1075389928.db2.gz	KQBUJNHLBUEWBL-ICSRJNTNSA-N	1	1	400.527	1.449	20	0		HDADMO
COCCC1(CNC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1	ZINC000676129545	1075390258	/nfs/dbraw/zinc/39/02/58/1075390258.db2.gz	ZSUTZXPLHNSBFJ-UHFFFAOYSA-N	1	1	417.554	1.835	20	0		HDADMO
O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000676131694	1075391181	/nfs/dbraw/zinc/39/11/81/1075391181.db2.gz	UBFQYYWWJCTNAB-WIYYLYMNSA-N	1	1	408.502	1.977	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1	ZINC000804093821	1075393017	/nfs/dbraw/zinc/39/30/17/1075393017.db2.gz	QHDANWADAYJWEJ-IRXDYDNUSA-N	1	1	408.543	1.493	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000804093762	1075393283	/nfs/dbraw/zinc/39/32/83/1075393283.db2.gz	POEGQTHADIKTLL-DLBZAZTESA-N	1	1	410.559	1.881	20	0		HDADMO
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)N1CC[NH+](CC(C)C)CC1	ZINC000439754778	1075393439	/nfs/dbraw/zinc/39/34/39/1075393439.db2.gz	ISNSTKLWQHVLLO-UHFFFAOYSA-N	1	1	403.914	2.573	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c2cccs2)CC1	ZINC000676136721	1075393849	/nfs/dbraw/zinc/39/38/49/1075393849.db2.gz	FONPXDOYCCFXCD-BRWVUGGUSA-N	1	1	405.568	1.489	20	0		HDADMO
CN(CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)S(=O)(=O)c1ccc(Br)cc1	ZINC001129184588	1075397851	/nfs/dbraw/zinc/39/78/51/1075397851.db2.gz	CXUVSHDTNCEPLU-DOMZBBRYSA-N	1	1	416.341	1.232	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)n2)cc1	ZINC000434561111	1075401575	/nfs/dbraw/zinc/40/15/75/1075401575.db2.gz	GKQCVDUURVVGTI-SFHVURJKSA-N	1	1	411.506	2.012	20	0		HDADMO
O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676153675	1075403676	/nfs/dbraw/zinc/40/36/76/1075403676.db2.gz	SJHBHRDHKVKCFX-NQIIRXRSSA-N	1	1	410.518	1.958	20	0		HDADMO
CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)ccc1C	ZINC000429399445	1075405789	/nfs/dbraw/zinc/40/57/89/1075405789.db2.gz	JFUGOCJECIPRBR-YJBOKZPZSA-N	1	1	411.524	1.361	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)CN1CC[NH+](C)CC1	ZINC000429400874	1075416817	/nfs/dbraw/zinc/41/68/17/1075416817.db2.gz	LJHRJVGJIOQZEW-QGZVFWFLSA-N	1	1	411.506	1.812	20	0		HDADMO
CC(=O)Nc1ccc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000676203945	1075425751	/nfs/dbraw/zinc/42/57/51/1075425751.db2.gz	QRSSYTWQRCIKFT-ZIAGYGMSSA-N	1	1	401.504	1.952	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000448327731	1075433762	/nfs/dbraw/zinc/43/37/62/1075433762.db2.gz	MPDJOXKULFJQCN-HNNXBMFYSA-N	1	1	402.474	2.432	20	0		HDADMO
COC1CCN(C2(C[NH2+]Cc3cnn([C@]4(C)CCS(=O)(=O)C4)c3)CCCC2)CC1	ZINC000676199669	1075433965	/nfs/dbraw/zinc/43/39/65/1075433965.db2.gz	KGEZOABZHSXCRD-HXUWFJFHSA-N	1	1	424.611	1.930	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C(F)(F)F)n1	ZINC000731655454	1075438587	/nfs/dbraw/zinc/43/85/87/1075438587.db2.gz	NFWNYAXSKAQPMT-INIZCTEOSA-N	1	1	422.473	1.260	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000731655619	1075439909	/nfs/dbraw/zinc/43/99/09/1075439909.db2.gz	QYBREECCTMZWFT-UHFFFAOYSA-N	1	1	410.559	1.692	20	0		HDADMO
O=S(=O)(c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1)N1CCOCC1	ZINC000676239535	1075442615	/nfs/dbraw/zinc/44/26/15/1075442615.db2.gz	HKYVAFFBLIQPOR-HXUWFJFHSA-N	1	1	423.579	1.441	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676245037	1075446325	/nfs/dbraw/zinc/44/63/25/1075446325.db2.gz	ZEUNNSJTJJRBTP-MAUKXSAKSA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676245037	1075446332	/nfs/dbraw/zinc/44/63/32/1075446332.db2.gz	ZEUNNSJTJJRBTP-MAUKXSAKSA-N	1	1	412.556	1.033	20	0		HDADMO
C[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[N@H+](C)CCO1	ZINC000676244507	1075446978	/nfs/dbraw/zinc/44/69/78/1075446978.db2.gz	VHNPIOKSBNWGPY-ABAIWWIYSA-N	1	1	414.300	1.739	20	0		HDADMO
C[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244507	1075446982	/nfs/dbraw/zinc/44/69/82/1075446982.db2.gz	VHNPIOKSBNWGPY-ABAIWWIYSA-N	1	1	414.300	1.739	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)c1	ZINC000676246311	1075447985	/nfs/dbraw/zinc/44/79/85/1075447985.db2.gz	TYBKASRWJGQDIV-YRNRMSPPSA-N	1	1	406.527	1.548	20	0		HDADMO
CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000731685819	1075448017	/nfs/dbraw/zinc/44/80/17/1075448017.db2.gz	CFECKMLLNATNFR-LJQANCHMSA-N	1	1	408.568	1.069	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)c1	ZINC000676246311	1075447992	/nfs/dbraw/zinc/44/79/92/1075447992.db2.gz	TYBKASRWJGQDIV-YRNRMSPPSA-N	1	1	406.527	1.548	20	0		HDADMO
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676256773	1075451444	/nfs/dbraw/zinc/45/14/44/1075451444.db2.gz	HQTGXJZKSZJWBW-APWZRJJASA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676256773	1075451448	/nfs/dbraw/zinc/45/14/48/1075451448.db2.gz	HQTGXJZKSZJWBW-APWZRJJASA-N	1	1	409.552	1.239	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676256318	1075452134	/nfs/dbraw/zinc/45/21/34/1075452134.db2.gz	BGLJVGZREHYDGM-CRAIPNDOSA-N	1	1	412.556	1.865	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676256318	1075452139	/nfs/dbraw/zinc/45/21/39/1075452139.db2.gz	BGLJVGZREHYDGM-CRAIPNDOSA-N	1	1	412.556	1.865	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676256504	1075452251	/nfs/dbraw/zinc/45/22/51/1075452251.db2.gz	ADLXMRXYVCBSDD-QXAKKESOSA-N	1	1	409.552	1.064	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676256504	1075452256	/nfs/dbraw/zinc/45/22/56/1075452256.db2.gz	ADLXMRXYVCBSDD-QXAKKESOSA-N	1	1	409.552	1.064	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC1CCCC1	ZINC000676257704	1075453366	/nfs/dbraw/zinc/45/33/66/1075453366.db2.gz	HKRZSYCUZPLMLJ-QAPCUYQASA-N	1	1	409.552	1.665	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC1CCCC1	ZINC000676257704	1075453368	/nfs/dbraw/zinc/45/33/68/1075453368.db2.gz	HKRZSYCUZPLMLJ-QAPCUYQASA-N	1	1	409.552	1.665	20	0		HDADMO
C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCc1ccccc1F	ZINC000731669524	1075454955	/nfs/dbraw/zinc/45/49/55/1075454955.db2.gz	IYWJKVBSUIKLBS-UHFFFAOYSA-N	1	1	407.511	1.696	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676259244	1075457489	/nfs/dbraw/zinc/45/74/89/1075457489.db2.gz	SBJXZKNTHADCCC-AXVVYFOYSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259244	1075457495	/nfs/dbraw/zinc/45/74/95/1075457495.db2.gz	SBJXZKNTHADCCC-AXVVYFOYSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1C[N@H+](C)CCO1	ZINC000676261785	1075460036	/nfs/dbraw/zinc/46/00/36/1075460036.db2.gz	OXAZFWMLPZWULI-ABAIWWIYSA-N	1	1	412.284	1.010	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261785	1075460039	/nfs/dbraw/zinc/46/00/39/1075460039.db2.gz	OXAZFWMLPZWULI-ABAIWWIYSA-N	1	1	412.284	1.010	20	0		HDADMO
COc1cc2ncn(CCCC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c(=O)c2cc1OC	ZINC000676262248	1075460605	/nfs/dbraw/zinc/46/06/05/1075460605.db2.gz	WVWXQKZHWSSGKH-KUHUBIRLSA-N	1	1	418.494	1.029	20	0		HDADMO
COc1cc2ncn(CCCC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c(=O)c2cc1OC	ZINC000676262248	1075460609	/nfs/dbraw/zinc/46/06/09/1075460609.db2.gz	WVWXQKZHWSSGKH-KUHUBIRLSA-N	1	1	418.494	1.029	20	0		HDADMO
Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1C	ZINC000676249022	1075465284	/nfs/dbraw/zinc/46/52/84/1075465284.db2.gz	ZSFGAOXFLTUFHM-ICSRJNTNSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1C	ZINC000676249022	1075465291	/nfs/dbraw/zinc/46/52/91/1075465291.db2.gz	ZSFGAOXFLTUFHM-ICSRJNTNSA-N	1	1	417.554	1.288	20	0		HDADMO
C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676248775	1075465326	/nfs/dbraw/zinc/46/53/26/1075465326.db2.gz	HYEHOJJTXUPOKO-IUODEOHRSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248775	1075465331	/nfs/dbraw/zinc/46/53/31/1075465331.db2.gz	HYEHOJJTXUPOKO-IUODEOHRSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676248418	1075466063	/nfs/dbraw/zinc/46/60/63/1075466063.db2.gz	SSGUIIPLIWTUGV-PKOBYXMFSA-N	1	1	403.527	1.285	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248418	1075466066	/nfs/dbraw/zinc/46/60/66/1075466066.db2.gz	SSGUIIPLIWTUGV-PKOBYXMFSA-N	1	1	403.527	1.285	20	0		HDADMO
C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250035	1075466768	/nfs/dbraw/zinc/46/67/68/1075466768.db2.gz	KPDUSMZUTNXMNX-WFASDCNBSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250035	1075466771	/nfs/dbraw/zinc/46/67/71/1075466771.db2.gz	KPDUSMZUTNXMNX-WFASDCNBSA-N	1	1	413.316	1.197	20	0		HDADMO
Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676249585	1075467502	/nfs/dbraw/zinc/46/75/02/1075467502.db2.gz	HWEWVXHCJZJFAD-WFASDCNBSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676249585	1075467506	/nfs/dbraw/zinc/46/75/06/1075467506.db2.gz	HWEWVXHCJZJFAD-WFASDCNBSA-N	1	1	413.316	1.714	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250712	1075467838	/nfs/dbraw/zinc/46/78/38/1075467838.db2.gz	IQEWGCIKZIDRCK-QAPCUYQASA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250712	1075467842	/nfs/dbraw/zinc/46/78/42/1075467842.db2.gz	IQEWGCIKZIDRCK-QAPCUYQASA-N	1	1	408.930	1.917	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676252441	1075470509	/nfs/dbraw/zinc/47/05/09/1075470509.db2.gz	VSPHQNNEEOUVPH-XLIONFOSSA-N	1	1	418.538	1.201	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676252441	1075470514	/nfs/dbraw/zinc/47/05/14/1075470514.db2.gz	VSPHQNNEEOUVPH-XLIONFOSSA-N	1	1	418.538	1.201	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252720	1075470703	/nfs/dbraw/zinc/47/07/03/1075470703.db2.gz	SDRXVNACAMPWCI-QAPCUYQASA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252720	1075470709	/nfs/dbraw/zinc/47/07/09/1075470709.db2.gz	SDRXVNACAMPWCI-QAPCUYQASA-N	1	1	408.930	1.455	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676252439	1075470772	/nfs/dbraw/zinc/47/07/72/1075470772.db2.gz	VSPHQNNEEOUVPH-PXNSSMCTSA-N	1	1	418.538	1.201	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676252439	1075470778	/nfs/dbraw/zinc/47/07/78/1075470778.db2.gz	VSPHQNNEEOUVPH-PXNSSMCTSA-N	1	1	418.538	1.201	20	0		HDADMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000676288675	1075472974	/nfs/dbraw/zinc/47/29/74/1075472974.db2.gz	FVNKQHSHJAVNME-IBGZPJMESA-N	1	1	415.582	1.976	20	0		HDADMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1	ZINC000566753003	1075473965	/nfs/dbraw/zinc/47/39/65/1075473965.db2.gz	GDPJJMQBMGCINZ-CQSZACIVSA-N	1	1	409.412	2.382	20	0		HDADMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1	ZINC000566753003	1075473966	/nfs/dbraw/zinc/47/39/66/1075473966.db2.gz	GDPJJMQBMGCINZ-CQSZACIVSA-N	1	1	409.412	2.382	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OCC(F)(F)F	ZINC000676277755	1075476969	/nfs/dbraw/zinc/47/69/69/1075476969.db2.gz	ATXNWBHTFSXTOC-NHYWBVRUSA-N	1	1	419.400	1.410	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OCC(F)(F)F	ZINC000676277755	1075476971	/nfs/dbraw/zinc/47/69/71/1075476971.db2.gz	ATXNWBHTFSXTOC-NHYWBVRUSA-N	1	1	419.400	1.410	20	0		HDADMO
COc1cccc(CC(=O)N2CCN(C(=O)NCC[N@@H+]3CC=C(C)CC3)CC2)c1	ZINC000547273934	1075477838	/nfs/dbraw/zinc/47/78/38/1075477838.db2.gz	RZLPPXLXVXAULC-UHFFFAOYSA-N	1	1	400.523	1.744	20	0		HDADMO
CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676277644	1075477883	/nfs/dbraw/zinc/47/78/83/1075477883.db2.gz	BSKJLVINCPQSLC-CXAGYDPISA-N	1	1	424.929	1.500	20	0		HDADMO
CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676277644	1075477888	/nfs/dbraw/zinc/47/78/88/1075477888.db2.gz	BSKJLVINCPQSLC-CXAGYDPISA-N	1	1	424.929	1.500	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278980	1075479279	/nfs/dbraw/zinc/47/92/79/1075479279.db2.gz	LDMLCQZTTFFNPE-YOEHRIQHSA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278980	1075479281	/nfs/dbraw/zinc/47/92/81/1075479281.db2.gz	LDMLCQZTTFFNPE-YOEHRIQHSA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278848	1075479654	/nfs/dbraw/zinc/47/96/54/1075479654.db2.gz	LDNICLCEJBFOGW-QFBILLFUSA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278848	1075479663	/nfs/dbraw/zinc/47/96/63/1075479663.db2.gz	LDNICLCEJBFOGW-QFBILLFUSA-N	1	1	416.522	1.333	20	0		HDADMO
Cc1c(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000429416310	1075480062	/nfs/dbraw/zinc/48/00/62/1075480062.db2.gz	CJZUFCJTMIIVBK-AWEZNQCLSA-N	1	1	412.556	1.602	20	0		HDADMO
Cc1c(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000429416310	1075480065	/nfs/dbraw/zinc/48/00/65/1075480065.db2.gz	CJZUFCJTMIIVBK-AWEZNQCLSA-N	1	1	412.556	1.602	20	0		HDADMO
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676278541	1075480993	/nfs/dbraw/zinc/48/09/93/1075480993.db2.gz	IBGNPNNPYXOWNK-WMLDXEAASA-N	1	1	404.511	1.379	20	0		HDADMO
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676278541	1075480995	/nfs/dbraw/zinc/48/09/95/1075480995.db2.gz	IBGNPNNPYXOWNK-WMLDXEAASA-N	1	1	404.511	1.379	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1C(=O)N1CCCC1	ZINC000676278501	1075481020	/nfs/dbraw/zinc/48/10/20/1075481020.db2.gz	IYAVISDJAOMMPQ-QAPCUYQASA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1C(=O)N1CCCC1	ZINC000676278501	1075481022	/nfs/dbraw/zinc/48/10/22/1075481022.db2.gz	IYAVISDJAOMMPQ-QAPCUYQASA-N	1	1	402.495	1.005	20	0		HDADMO
COc1cccc(Cn2[nH]c(C)c3c(NC(=O)[C@H](C)N4CC[NH+](C)CC4)nnc2-3)c1	ZINC000606856192	1075481349	/nfs/dbraw/zinc/48/13/49/1075481349.db2.gz	YXXZFKGNYWZSFT-HNNXBMFYSA-N	1	1	411.510	1.651	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1NC(=O)c1ccco1	ZINC000676278409	1075481527	/nfs/dbraw/zinc/48/15/27/1075481527.db2.gz	HMRGXPBABWWSCN-KSSFIOAISA-N	1	1	414.462	1.614	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1NC(=O)c1ccco1	ZINC000676278409	1075481530	/nfs/dbraw/zinc/48/15/30/1075481530.db2.gz	HMRGXPBABWWSCN-KSSFIOAISA-N	1	1	414.462	1.614	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[C@H]1C[N@H+](C)CCO1	ZINC000676280085	1075481897	/nfs/dbraw/zinc/48/18/97/1075481897.db2.gz	RETTYLFSMWXOGT-TVQRCGJNSA-N	1	1	400.357	1.620	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280085	1075481904	/nfs/dbraw/zinc/48/19/04/1075481904.db2.gz	RETTYLFSMWXOGT-TVQRCGJNSA-N	1	1	400.357	1.620	20	0		HDADMO
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676279937	1075482189	/nfs/dbraw/zinc/48/21/89/1075482189.db2.gz	RDBNCWPKDJHLER-BLLLJJGKSA-N	1	1	410.902	1.252	20	0		HDADMO
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676279937	1075482192	/nfs/dbraw/zinc/48/21/92/1075482192.db2.gz	RDBNCWPKDJHLER-BLLLJJGKSA-N	1	1	410.902	1.252	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1OCC(F)(F)F	ZINC000676280818	1075485505	/nfs/dbraw/zinc/48/55/05/1075485505.db2.gz	SZZCBTRILNBDQS-WFASDCNBSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1OCC(F)(F)F	ZINC000676280818	1075485510	/nfs/dbraw/zinc/48/55/10/1075485510.db2.gz	SZZCBTRILNBDQS-WFASDCNBSA-N	1	1	403.401	1.710	20	0		HDADMO
CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)c2C1	ZINC000676280562	1075485857	/nfs/dbraw/zinc/48/58/57/1075485857.db2.gz	JQEFMFREUBUMAX-FTRWYGJKSA-N	1	1	402.539	1.821	20	0		HDADMO
COc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cn2)cc1	ZINC000676280339	1075487142	/nfs/dbraw/zinc/48/71/42/1075487142.db2.gz	RUIQRYRCYNIFQR-KBXCAEBGSA-N	1	1	414.462	1.656	20	0		HDADMO
COc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cn2)cc1	ZINC000676280339	1075487144	/nfs/dbraw/zinc/48/71/44/1075487144.db2.gz	RUIQRYRCYNIFQR-KBXCAEBGSA-N	1	1	414.462	1.656	20	0		HDADMO
COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676282256	1075489235	/nfs/dbraw/zinc/48/92/35/1075489235.db2.gz	ZSVPYBVHXIZILW-IINYFYTJSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676282256	1075489236	/nfs/dbraw/zinc/48/92/36/1075489236.db2.gz	ZSVPYBVHXIZILW-IINYFYTJSA-N	1	1	400.273	1.232	20	0		HDADMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1	ZINC000676283219	1075490009	/nfs/dbraw/zinc/49/00/09/1075490009.db2.gz	XWOFMVCGGCRNBS-APWZRJJASA-N	1	1	413.522	1.829	20	0		HDADMO
C[C@H](Sc1ncccc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)N1CCCC1	ZINC000676286753	1075491546	/nfs/dbraw/zinc/49/15/46/1075491546.db2.gz	FFKXIKPMBOUHTP-YQQAZPJKSA-N	1	1	406.552	1.634	20	0		HDADMO
C[C@H](Sc1ncccc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)N1CCCC1	ZINC000676286753	1075491549	/nfs/dbraw/zinc/49/15/49/1075491549.db2.gz	FFKXIKPMBOUHTP-YQQAZPJKSA-N	1	1	406.552	1.634	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676288904	1075492714	/nfs/dbraw/zinc/49/27/14/1075492714.db2.gz	AMZYHYPKNMJDGS-IAOVAPTHSA-N	1	1	424.339	1.889	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676288904	1075492716	/nfs/dbraw/zinc/49/27/16/1075492716.db2.gz	AMZYHYPKNMJDGS-IAOVAPTHSA-N	1	1	424.339	1.889	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676307377	1075493137	/nfs/dbraw/zinc/49/31/37/1075493137.db2.gz	PENNBAIZSVIVLO-SUMWQHHRSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676307377	1075493139	/nfs/dbraw/zinc/49/31/39/1075493139.db2.gz	PENNBAIZSVIVLO-SUMWQHHRSA-N	1	1	412.893	1.666	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1	ZINC000676307492	1075493145	/nfs/dbraw/zinc/49/31/45/1075493145.db2.gz	ZGMWCUJWGUAJEI-RBSFLKMASA-N	1	1	408.465	1.538	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1	ZINC000676307492	1075493148	/nfs/dbraw/zinc/49/31/48/1075493148.db2.gz	ZGMWCUJWGUAJEI-RBSFLKMASA-N	1	1	408.465	1.538	20	0		HDADMO
CC[C@H](CNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1)[N@H+]1CCc2ccccc2C1	ZINC000425915672	1075497736	/nfs/dbraw/zinc/49/77/36/1075497736.db2.gz	DIBMEPAPCZTJIG-VQIMIIECSA-N	1	1	413.522	1.982	20	0		HDADMO
C[C@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676298464	1075500737	/nfs/dbraw/zinc/50/07/37/1075500737.db2.gz	XQGQHBLQTNMVJX-FXAWDEMLSA-N	1	1	402.539	1.486	20	0		HDADMO
C[C@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676298464	1075500742	/nfs/dbraw/zinc/50/07/42/1075500742.db2.gz	XQGQHBLQTNMVJX-FXAWDEMLSA-N	1	1	402.539	1.486	20	0		HDADMO
CCO[C@H]1COCC[C@@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000546825371	1075501463	/nfs/dbraw/zinc/50/14/63/1075501463.db2.gz	SGCVMQHEOGJMDT-PMACEKPBSA-N	1	1	406.527	1.510	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676305294	1075502920	/nfs/dbraw/zinc/50/29/20/1075502920.db2.gz	HCKPDMVZGGFBBJ-JGGQBBKZSA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676305294	1075502927	/nfs/dbraw/zinc/50/29/27/1075502927.db2.gz	HCKPDMVZGGFBBJ-JGGQBBKZSA-N	1	1	405.417	1.463	20	0		HDADMO
CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1	ZINC000434931786	1075503355	/nfs/dbraw/zinc/50/33/55/1075503355.db2.gz	DPAZBNYJYIPRTK-JKSUJKDBSA-N	1	1	414.510	2.370	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676305508	1075503469	/nfs/dbraw/zinc/50/34/69/1075503469.db2.gz	PMSDWCFJONNJGT-CJNGLKHVSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676305508	1075503470	/nfs/dbraw/zinc/50/34/70/1075503470.db2.gz	PMSDWCFJONNJGT-CJNGLKHVSA-N	1	1	412.893	1.666	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CC2	ZINC000676306505	1075504309	/nfs/dbraw/zinc/50/43/09/1075504309.db2.gz	VDWJZULVNHOPIG-RDTXWAMCSA-N	1	1	407.511	1.542	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CC2	ZINC000676306505	1075504314	/nfs/dbraw/zinc/50/43/14/1075504314.db2.gz	VDWJZULVNHOPIG-RDTXWAMCSA-N	1	1	407.511	1.542	20	0		HDADMO
C[C@H]1CCCCN1C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035753662	1075505608	/nfs/dbraw/zinc/50/56/08/1075505608.db2.gz	VESKYMHYJBOPPT-SIFVSHMBSA-N	1	1	401.551	1.735	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2OC)CC1	ZINC000676337173	1075511061	/nfs/dbraw/zinc/51/10/61/1075511061.db2.gz	PJDIQASTBAQSKS-UHFFFAOYSA-N	1	1	417.510	1.859	20	0		HDADMO
C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1cccc(N2CCOC2=O)c1	ZINC000731759526	1075513964	/nfs/dbraw/zinc/51/39/64/1075513964.db2.gz	OXVDZMCGGBHNCK-HNNXBMFYSA-N	1	1	417.510	1.556	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2	ZINC000731763928	1075517847	/nfs/dbraw/zinc/51/78/47/1075517847.db2.gz	FOPJRTVNDWOOJN-CQSZACIVSA-N	1	1	410.540	1.041	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC3(CCO)CC3)c2)CC1	ZINC000429427759	1075522328	/nfs/dbraw/zinc/52/23/28/1075522328.db2.gz	QAABQKUIWZKTPA-UHFFFAOYSA-N	1	1	410.540	1.297	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC3(CCO)CC3)c2)CC1	ZINC000429427759	1075522331	/nfs/dbraw/zinc/52/23/31/1075522331.db2.gz	QAABQKUIWZKTPA-UHFFFAOYSA-N	1	1	410.540	1.297	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676332633	1075522940	/nfs/dbraw/zinc/52/29/40/1075522940.db2.gz	GKZNQILNJHGJAZ-ZENOOKHLSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332633	1075522944	/nfs/dbraw/zinc/52/29/44/1075522944.db2.gz	GKZNQILNJHGJAZ-ZENOOKHLSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676333662	1075523555	/nfs/dbraw/zinc/52/35/55/1075523555.db2.gz	NCUKCPUYBFGDDU-MAZHCROVSA-N	1	1	408.886	1.380	20	0		HDADMO
C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676333662	1075523558	/nfs/dbraw/zinc/52/35/58/1075523558.db2.gz	NCUKCPUYBFGDDU-MAZHCROVSA-N	1	1	408.886	1.380	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1	ZINC000731826684	1075524836	/nfs/dbraw/zinc/52/48/36/1075524836.db2.gz	KAXUTZNDFIDWDQ-OAHLLOKOSA-N	1	1	412.515	1.650	20	0		HDADMO
O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCO[C@@H](CCc2ccccc2)C1	ZINC000543672287	1075525042	/nfs/dbraw/zinc/52/50/42/1075525042.db2.gz	FWVOIJAVFILRFB-QFIPXVFZSA-N	1	1	418.582	1.420	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1	ZINC000731827272	1075525238	/nfs/dbraw/zinc/52/52/38/1075525238.db2.gz	VXWWAFQQMGGRFL-TWQQJCIXSA-N	1	1	408.462	1.456	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000731826879	1075525619	/nfs/dbraw/zinc/52/56/19/1075525619.db2.gz	OFHNJOFRFSBHRB-QFBILLFUSA-N	1	1	416.522	1.488	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000731808579	1075527028	/nfs/dbraw/zinc/52/70/28/1075527028.db2.gz	AUOSTYUCJLBEGU-SJORKVTESA-N	1	1	411.499	1.203	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC[N@@H+]1CCO	ZINC000429428323	1075527742	/nfs/dbraw/zinc/52/77/42/1075527742.db2.gz	PBLFSUSYYPTTCA-ZDUSSCGKSA-N	1	1	416.519	1.433	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC[N@H+]1CCO	ZINC000429428323	1075527748	/nfs/dbraw/zinc/52/77/48/1075527748.db2.gz	PBLFSUSYYPTTCA-ZDUSSCGKSA-N	1	1	416.519	1.433	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC(C)(C)COc1ncccc1C(F)(F)F	ZINC000543672794	1075539793	/nfs/dbraw/zinc/53/97/93/1075539793.db2.gz	KHUCPYACTRXAGF-ZDUSSCGKSA-N	1	1	403.449	1.803	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676400475	1075543785	/nfs/dbraw/zinc/54/37/85/1075543785.db2.gz	FMNKKHALTXMQJU-BBRMVZONSA-N	1	1	417.510	1.479	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676400475	1075543788	/nfs/dbraw/zinc/54/37/88/1075543788.db2.gz	FMNKKHALTXMQJU-BBRMVZONSA-N	1	1	417.510	1.479	20	0		HDADMO
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676401663	1075544219	/nfs/dbraw/zinc/54/42/19/1075544219.db2.gz	AYUAMILTXRSCRX-WFASDCNBSA-N	1	1	403.483	1.089	20	0		HDADMO
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676401663	1075544223	/nfs/dbraw/zinc/54/42/23/1075544223.db2.gz	AYUAMILTXRSCRX-WFASDCNBSA-N	1	1	403.483	1.089	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000731842895	1075548023	/nfs/dbraw/zinc/54/80/23/1075548023.db2.gz	JULWOZBGRFPUOV-GMYFBSLISA-N	1	1	410.584	1.068	20	0		HDADMO
Cc1nn(C)c(C)c1Nc1nnc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)n1C	ZINC000580129954	1075549033	/nfs/dbraw/zinc/54/90/33/1075549033.db2.gz	YJKKMOMAWKACRR-UHFFFAOYSA-N	1	1	408.554	2.535	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)CC2)CC1	ZINC000676450584	1075557100	/nfs/dbraw/zinc/55/71/00/1075557100.db2.gz	ZUMBBKOZUKZQEL-SFHVURJKSA-N	1	1	413.522	1.308	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000676451984	1075557348	/nfs/dbraw/zinc/55/73/48/1075557348.db2.gz	LMVAOPPRUBCOHN-PMACEKPBSA-N	1	1	424.549	1.787	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676451984	1075557354	/nfs/dbraw/zinc/55/73/54/1075557354.db2.gz	LMVAOPPRUBCOHN-PMACEKPBSA-N	1	1	424.549	1.787	20	0		HDADMO
CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NCCCNc2ccc(C)c[nH+]2)cn1	ZINC000486481577	1075561739	/nfs/dbraw/zinc/56/17/39/1075561739.db2.gz	VZWJKJVAJDSYNL-YMGMXPECSA-N	1	1	404.540	1.924	20	0		HDADMO
CCN1C(=O)CN(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O	ZINC000731903087	1075563770	/nfs/dbraw/zinc/56/37/70/1075563770.db2.gz	WHLYREXGQDFJGJ-GFCCVEGCSA-N	1	1	424.299	1.736	20	0		HDADMO
CCN1C(=O)CN(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O	ZINC000731903087	1075563772	/nfs/dbraw/zinc/56/37/72/1075563772.db2.gz	WHLYREXGQDFJGJ-GFCCVEGCSA-N	1	1	424.299	1.736	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C3(OCc4ccccc4)CCOCC3)CC2)C1	ZINC000676473897	1075564289	/nfs/dbraw/zinc/56/42/89/1075564289.db2.gz	UBPUDGFYROVCQA-NRFANRHFSA-N	1	1	401.551	1.991	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)CCO2	ZINC000676494623	1075565625	/nfs/dbraw/zinc/56/56/25/1075565625.db2.gz	BCGHLSMTRYWPEL-LJQANCHMSA-N	1	1	419.522	1.330	20	0		HDADMO
CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C2	ZINC000466732122	1075567386	/nfs/dbraw/zinc/56/73/86/1075567386.db2.gz	XWRAJOIWSILIAJ-GCKMJXCFSA-N	1	1	408.543	1.480	20	0		HDADMO
C[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1nc2ccccc2s1	ZINC000804163888	1075567734	/nfs/dbraw/zinc/56/77/34/1075567734.db2.gz	FGWBXYHPQOYRFU-HNNXBMFYSA-N	1	1	403.552	1.569	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)c1nc2ccccc2s1	ZINC000804164794	1075568320	/nfs/dbraw/zinc/56/83/20/1075568320.db2.gz	LVTOCLFWGYUOMX-CQSZACIVSA-N	1	1	404.536	1.779	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000676507702	1075572635	/nfs/dbraw/zinc/57/26/35/1075572635.db2.gz	ZMDCNDSYCRDJEN-ICSRJNTNSA-N	1	1	405.564	1.867	20	0		HDADMO
CNC(=O)c1cc(Cl)ccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000731971567	1075579677	/nfs/dbraw/zinc/57/96/77/1075579677.db2.gz	ZSSAVAPJEDCWHD-QGZVFWFLSA-N	1	1	422.913	1.351	20	0		HDADMO
CS(=O)(=O)NC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1	ZINC000676541880	1075580423	/nfs/dbraw/zinc/58/04/23/1075580423.db2.gz	UUYKNLIRNSYFIF-FUHWJXTLSA-N	1	1	412.600	1.897	20	0		HDADMO
CN1CCCc2cc(NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)ccc21	ZINC000731979693	1075582282	/nfs/dbraw/zinc/58/22/82/1075582282.db2.gz	LFUDPORIRIVYME-HXUWFJFHSA-N	1	1	400.523	1.721	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)CCO2	ZINC000676530219	1075582407	/nfs/dbraw/zinc/58/24/07/1075582407.db2.gz	JAJVMHXKVWZTGA-IPELMVKDSA-N	1	1	401.507	1.968	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C1	ZINC000676552225	1075584882	/nfs/dbraw/zinc/58/48/82/1075584882.db2.gz	ZCWWYPHDBCGOGC-OAQYLSRUSA-N	1	1	418.501	1.998	20	0		HDADMO
CN(C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000439590265	1075587188	/nfs/dbraw/zinc/58/71/88/1075587188.db2.gz	APKQRUKPAIPDRZ-INIZCTEOSA-N	1	1	402.886	1.613	20	0		HDADMO
CN(C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000429267351	1075587864	/nfs/dbraw/zinc/58/78/64/1075587864.db2.gz	XRCUCULWULCJLJ-INIZCTEOSA-N	1	1	422.489	2.115	20	0		HDADMO
CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000946911677	1075588568	/nfs/dbraw/zinc/58/85/68/1075588568.db2.gz	GLQPXISRPHNDIT-QAGJBOCLSA-N	1	1	400.523	1.927	20	0		HDADMO
C[C@@H](NC(=O)Nc1cc(OC(F)F)n(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000548328089	1075588589	/nfs/dbraw/zinc/58/85/89/1075588589.db2.gz	GYTIOUGCRCNLIM-HIFRSBDPSA-N	1	1	409.437	2.433	20	0		HDADMO
C[C@@H](NC(=O)Nc1cc(OC(F)F)n(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000548328089	1075588591	/nfs/dbraw/zinc/58/85/91/1075588591.db2.gz	GYTIOUGCRCNLIM-HIFRSBDPSA-N	1	1	409.437	2.433	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cnnn1	ZINC000676555712	1075589107	/nfs/dbraw/zinc/58/91/07/1075589107.db2.gz	GLXHYZOAHUPTLV-BEFAXECRSA-N	1	1	409.494	1.385	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676555789	1075589169	/nfs/dbraw/zinc/58/91/69/1075589169.db2.gz	BBOKFLKZAXOZCF-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676555789	1075589174	/nfs/dbraw/zinc/58/91/74/1075589174.db2.gz	BBOKFLKZAXOZCF-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2nnc(/C=C\c3ccco3)s2)CC1	ZINC000484134631	1075591085	/nfs/dbraw/zinc/59/10/85/1075591085.db2.gz	JSQUOVRVSALUCR-WAYWQWQTSA-N	1	1	404.496	1.976	20	0		HDADMO
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)C2=O)cc1	ZINC000732035010	1075592030	/nfs/dbraw/zinc/59/20/30/1075592030.db2.gz	JDLYHCWUIVMXFP-IIBYNOLFSA-N	1	1	400.479	1.157	20	0		HDADMO
CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)ccc1Cl	ZINC000732035811	1075592175	/nfs/dbraw/zinc/59/21/75/1075592175.db2.gz	QYFSCSXQVJAUPW-CQSZACIVSA-N	1	1	401.916	1.831	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@@H+](C)Cc1ccccc1	ZINC000676549633	1075597667	/nfs/dbraw/zinc/59/76/67/1075597667.db2.gz	FMBWMEQSXADWFH-QGZVFWFLSA-N	1	1	406.490	1.902	20	0		HDADMO
CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC000732060876	1075597894	/nfs/dbraw/zinc/59/78/94/1075597894.db2.gz	VQLVIAZTXZUGAV-ZQICTRMJSA-N	1	1	411.593	1.766	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1	ZINC000732061228	1075598616	/nfs/dbraw/zinc/59/86/16/1075598616.db2.gz	FEACNXBUFPXMGT-TUYSUELWSA-N	1	1	408.502	1.992	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1	ZINC000732061228	1075598624	/nfs/dbraw/zinc/59/86/24/1075598624.db2.gz	FEACNXBUFPXMGT-TUYSUELWSA-N	1	1	408.502	1.992	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(N2CCOC2=O)cc1	ZINC000732061334	1075598755	/nfs/dbraw/zinc/59/87/55/1075598755.db2.gz	FMIDMGNSMPCFKJ-SFHVURJKSA-N	1	1	416.478	1.295	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)NCC3(OC)CCOCC3)cc2)CC1	ZINC000676564883	1075603183	/nfs/dbraw/zinc/60/31/83/1075603183.db2.gz	KUJOJYBZHDRBIU-UHFFFAOYSA-N	1	1	404.555	1.819	20	0		HDADMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ncn(CC(=O)N(C)C)n3)cc2)C1	ZINC000473999796	1075603648	/nfs/dbraw/zinc/60/36/48/1075603648.db2.gz	JYGLTOROOIHCJE-MRXNPFEDSA-N	1	1	413.526	1.920	20	0		HDADMO
Cn1ccnc(N2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)c1=O	ZINC000466736393	1075605617	/nfs/dbraw/zinc/60/56/17/1075605617.db2.gz	VYVGMNJPUBHQGS-UHFFFAOYSA-N	1	1	400.870	1.848	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1	ZINC000732074039	1075606070	/nfs/dbraw/zinc/60/60/70/1075606070.db2.gz	QDPMEOQTSNFWIO-ARJAWSKDSA-N	1	1	423.517	1.601	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)[NH+]2CCCC2)o1	ZINC000804176452	1075608624	/nfs/dbraw/zinc/60/86/24/1075608624.db2.gz	OSJBPAVUQFWSNC-SJORKVTESA-N	1	1	405.495	1.595	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)[NH+]2CCCC2)o1	ZINC000804176651	1075608651	/nfs/dbraw/zinc/60/86/51/1075608651.db2.gz	RMUFERBUBKCVKH-INIZCTEOSA-N	1	1	420.510	1.577	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC[N@@H+]1CC(C)(C)O	ZINC000445202412	1075608684	/nfs/dbraw/zinc/60/86/84/1075608684.db2.gz	DLHLXNFISLRSOW-CQSZACIVSA-N	1	1	419.913	1.768	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC[N@H+]1CC(C)(C)O	ZINC000445202412	1075608689	/nfs/dbraw/zinc/60/86/89/1075608689.db2.gz	DLHLXNFISLRSOW-CQSZACIVSA-N	1	1	419.913	1.768	20	0		HDADMO
CC(C)(CO)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000676606288	1075611202	/nfs/dbraw/zinc/61/12/02/1075611202.db2.gz	KCALCCYBODTKLB-LEWJYISDSA-N	1	1	418.582	1.494	20	0		HDADMO
CN(CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000804182824	1075614352	/nfs/dbraw/zinc/61/43/52/1075614352.db2.gz	IKVOOCVLCUQFDC-SFHVURJKSA-N	1	1	418.538	1.750	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C1	ZINC000676612757	1075615758	/nfs/dbraw/zinc/61/57/58/1075615758.db2.gz	JDIRFTAUINOQMY-HNNXBMFYSA-N	1	1	409.437	1.843	20	0		HDADMO
CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676627853	1075624443	/nfs/dbraw/zinc/62/44/43/1075624443.db2.gz	WTYAYNXJRBFEBL-XPNTWCBSSA-N	1	1	407.514	1.963	20	0		HDADMO
CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CN3CCN(C)CC3)c2C1	ZINC000429456664	1075624519	/nfs/dbraw/zinc/62/45/19/1075624519.db2.gz	RVQWSFNUVKPPDZ-ZWKOTPCHSA-N	1	1	415.582	1.737	20	0		HDADMO
CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CN3CCN(C)CC3)c2C1	ZINC000429456664	1075624521	/nfs/dbraw/zinc/62/45/21/1075624521.db2.gz	RVQWSFNUVKPPDZ-ZWKOTPCHSA-N	1	1	415.582	1.737	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)[C@@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1	ZINC000732121152	1075629698	/nfs/dbraw/zinc/62/96/98/1075629698.db2.gz	DNCKOUBBHKMZMU-IBGZPJMESA-N	1	1	402.495	1.365	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)CCC[NH+]1CCN(C)CC1	ZINC000732114473	1075635968	/nfs/dbraw/zinc/63/59/68/1075635968.db2.gz	NNISIDUTNGHRQZ-CYVLTUHYSA-N	1	1	401.490	1.215	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000732166165	1075644513	/nfs/dbraw/zinc/64/45/13/1075644513.db2.gz	LUYSQIQFLHQYPX-CQSZACIVSA-N	1	1	415.943	1.573	20	0		HDADMO
COc1ccccc1[C@@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)[NH+](C)C	ZINC000426267694	1075646390	/nfs/dbraw/zinc/64/63/90/1075646390.db2.gz	NXHFZCYINKVDFQ-CQSZACIVSA-N	1	1	405.528	1.263	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C	ZINC000732149341	1075649853	/nfs/dbraw/zinc/64/98/53/1075649853.db2.gz	HVKVXWSGAAXJLP-RTBURBONSA-N	1	1	402.539	1.710	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)OC(C)C	ZINC000676695993	1075649949	/nfs/dbraw/zinc/64/99/49/1075649949.db2.gz	ZCJTXQJBFSQWON-MNEFBYGVSA-N	1	1	407.511	1.113	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)OC(C)C	ZINC000676695993	1075649959	/nfs/dbraw/zinc/64/99/59/1075649959.db2.gz	ZCJTXQJBFSQWON-MNEFBYGVSA-N	1	1	407.511	1.113	20	0		HDADMO
Cc1nn(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(=S)n1CC(=O)N(C)C	ZINC000732187722	1075653655	/nfs/dbraw/zinc/65/36/55/1075653655.db2.gz	URZGOPSKBJTMEC-MRXNPFEDSA-N	1	1	402.568	1.975	20	0		HDADMO
Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000676717696	1075654203	/nfs/dbraw/zinc/65/42/03/1075654203.db2.gz	QSYDHKOWBWJGJG-INIZCTEOSA-N	1	1	401.536	1.775	20	0		HDADMO
Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000676717696	1075654206	/nfs/dbraw/zinc/65/42/06/1075654206.db2.gz	QSYDHKOWBWJGJG-INIZCTEOSA-N	1	1	401.536	1.775	20	0		HDADMO
CN(Cn1ncc(Br)c(Br)c1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732189969	1075654567	/nfs/dbraw/zinc/65/45/67/1075654567.db2.gz	VURUDCZCDMNFCK-JTQLQIEISA-N	1	1	406.122	1.894	20	0		HDADMO
COc1ccc(C(=O)NCCN2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)cc1	ZINC000676702853	1075655457	/nfs/dbraw/zinc/65/54/57/1075655457.db2.gz	XXXBIVUDTIJWJN-HXUWFJFHSA-N	1	1	411.502	1.883	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CC(N)=NOCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000732195037	1075656551	/nfs/dbraw/zinc/65/65/51/1075656551.db2.gz	GBALAQFNVFCAED-KRWDZBQOSA-N	1	1	415.538	1.912	20	0		HDADMO
CC(C)CN(C(=O)CON=C(N)C[N@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000732195151	1075656990	/nfs/dbraw/zinc/65/69/90/1075656990.db2.gz	JJMDVAZSNSTBHA-HZPDHXFCSA-N	1	1	402.561	1.031	20	0		HDADMO
COc1cc(CNC(=O)CON=C(N)C[N@H+]2CCCC[C@H]2C)cc(OC)c1OC	ZINC000732196121	1075657395	/nfs/dbraw/zinc/65/73/95/1075657395.db2.gz	TXYDBUAYXVWGTB-CQSZACIVSA-N	1	1	408.499	1.701	20	0		HDADMO
C[C@H]1COCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000676713883	1075658253	/nfs/dbraw/zinc/65/82/53/1075658253.db2.gz	MHUDFBZXQOQAFL-HNNXBMFYSA-N	1	1	415.943	1.284	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)CC1	ZINC000732180884	1075662475	/nfs/dbraw/zinc/66/24/75/1075662475.db2.gz	REPNSRXRKLIXRL-QFIPXVFZSA-N	1	1	400.523	1.554	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@@](CC)(c3ccc(OC)cc3)C2=O)CC1	ZINC000732180875	1075662544	/nfs/dbraw/zinc/66/25/44/1075662544.db2.gz	QVIMLXCJCMZCOI-NRFANRHFSA-N	1	1	404.511	1.464	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732206727	1075664068	/nfs/dbraw/zinc/66/40/68/1075664068.db2.gz	LQLGPIGJPHASIX-MRXNPFEDSA-N	1	1	410.559	1.692	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732206727	1075664070	/nfs/dbraw/zinc/66/40/70/1075664070.db2.gz	LQLGPIGJPHASIX-MRXNPFEDSA-N	1	1	410.559	1.692	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)=NC(=O)N[C@H]1c1ccccc1	ZINC000732207588	1075665008	/nfs/dbraw/zinc/66/50/08/1075665008.db2.gz	XEVLRZKXTVVLHQ-QAPCUYQASA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1C(C[N@H+]2CCC[C@@H](C(=O)NC)C2)=NC(=O)N[C@H]1c1ccccc1	ZINC000732207588	1075665009	/nfs/dbraw/zinc/66/50/09/1075665009.db2.gz	XEVLRZKXTVVLHQ-QAPCUYQASA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000732207588	1075665010	/nfs/dbraw/zinc/66/50/10/1075665010.db2.gz	XEVLRZKXTVVLHQ-QAPCUYQASA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)NC)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000732207588	1075665011	/nfs/dbraw/zinc/66/50/11/1075665011.db2.gz	XEVLRZKXTVVLHQ-QAPCUYQASA-N	1	1	400.479	1.316	20	0		HDADMO
C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000732209083	1075666233	/nfs/dbraw/zinc/66/62/33/1075666233.db2.gz	FTGOCODBUMXJCC-JTDSTZFVSA-N	1	1	411.506	1.674	20	0		HDADMO
C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000732209083	1075666241	/nfs/dbraw/zinc/66/62/41/1075666241.db2.gz	FTGOCODBUMXJCC-JTDSTZFVSA-N	1	1	411.506	1.674	20	0		HDADMO
C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000732209081	1075666393	/nfs/dbraw/zinc/66/63/93/1075666393.db2.gz	FTGOCODBUMXJCC-GJYPPUQNSA-N	1	1	411.506	1.674	20	0		HDADMO
C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000732209081	1075666397	/nfs/dbraw/zinc/66/63/97/1075666397.db2.gz	FTGOCODBUMXJCC-GJYPPUQNSA-N	1	1	411.506	1.674	20	0		HDADMO
FC(F)Oc1ccc(-n2nnnc2CN2CCCC[C@H]2C[NH+]2CCOCC2)cc1	ZINC000732211709	1075668081	/nfs/dbraw/zinc/66/80/81/1075668081.db2.gz	MOBVCBVCNVKAPN-INIZCTEOSA-N	1	1	408.453	1.950	20	0		HDADMO
O=C(CC[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000732211145	1075668484	/nfs/dbraw/zinc/66/84/84/1075668484.db2.gz	BATRIZOEZNLLDX-MRXNPFEDSA-N	1	1	419.526	1.139	20	0		HDADMO
COCCOc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732211156	1075668491	/nfs/dbraw/zinc/66/84/91/1075668491.db2.gz	NXZAYDHZRSVFJY-IBGZPJMESA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732211156	1075668494	/nfs/dbraw/zinc/66/84/94/1075668494.db2.gz	NXZAYDHZRSVFJY-IBGZPJMESA-N	1	1	403.523	1.805	20	0		HDADMO
CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000732213114	1075669325	/nfs/dbraw/zinc/66/93/25/1075669325.db2.gz	XSBZDSRVNXUNRL-SFHVURJKSA-N	1	1	402.539	1.950	20	0		HDADMO
CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000732213114	1075669328	/nfs/dbraw/zinc/66/93/28/1075669328.db2.gz	XSBZDSRVNXUNRL-SFHVURJKSA-N	1	1	402.539	1.950	20	0		HDADMO
C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000732213135	1075669475	/nfs/dbraw/zinc/66/94/75/1075669475.db2.gz	YANRBEONWHDFFA-PXNSSMCTSA-N	1	1	400.523	1.937	20	0		HDADMO
C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000732213135	1075669477	/nfs/dbraw/zinc/66/94/77/1075669477.db2.gz	YANRBEONWHDFFA-PXNSSMCTSA-N	1	1	400.523	1.937	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CC2)C1	ZINC000556992506	1075670545	/nfs/dbraw/zinc/67/05/45/1075670545.db2.gz	UTKBNBCTAPLQOB-HNNXBMFYSA-N	1	1	417.897	2.062	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CC2)C1	ZINC000556992506	1075670549	/nfs/dbraw/zinc/67/05/49/1075670549.db2.gz	UTKBNBCTAPLQOB-HNNXBMFYSA-N	1	1	417.897	2.062	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CN(C)CCO1	ZINC000676740303	1075672305	/nfs/dbraw/zinc/67/23/05/1075672305.db2.gz	UAPYBBZMRFMFSU-SXLOBPIMSA-N	1	1	416.566	1.239	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000732201637	1075674633	/nfs/dbraw/zinc/67/46/33/1075674633.db2.gz	IDUXUGVIVJUNPJ-FQEVSTJZSA-N	1	1	417.554	1.583	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2nc(N)ns2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000498719322	1075676118	/nfs/dbraw/zinc/67/61/18/1075676118.db2.gz	UWXFBIXRGIPGLJ-WBVHZDCISA-N	1	1	415.567	1.863	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc(Br)cc2F)C1	ZINC000732246608	1075679366	/nfs/dbraw/zinc/67/93/66/1075679366.db2.gz	VVSHSDOZJSLJGS-CYBMUJFWSA-N	1	1	415.307	1.975	20	0		HDADMO
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)C2Cc3ccccc3C2)C1=O	ZINC000141213322	1075680857	/nfs/dbraw/zinc/68/08/57/1075680857.db2.gz	OVFXIQWFMGFGSA-HSZRJFAPSA-N	1	1	406.486	1.974	20	0		HDADMO
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)C1=O	ZINC000141213322	1075680861	/nfs/dbraw/zinc/68/08/61/1075680861.db2.gz	OVFXIQWFMGFGSA-HSZRJFAPSA-N	1	1	406.486	1.974	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(C[N@H+](C)C2CCN(c3cnccn3)CC2)n1	ZINC000434741929	1075683513	/nfs/dbraw/zinc/68/35/13/1075683513.db2.gz	KEVYPKFMQYYIBK-UHFFFAOYSA-N	1	1	419.537	2.073	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)n1	ZINC000434741929	1075683514	/nfs/dbraw/zinc/68/35/14/1075683514.db2.gz	KEVYPKFMQYYIBK-UHFFFAOYSA-N	1	1	419.537	2.073	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000732275312	1075686828	/nfs/dbraw/zinc/68/68/28/1075686828.db2.gz	IRONKXTUVWJVBR-ZWKOTPCHSA-N	1	1	422.570	1.789	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CC(C)(C)O)C1CC1	ZINC000509435317	1075690623	/nfs/dbraw/zinc/69/06/23/1075690623.db2.gz	CLLRJHQRTLQAQP-QGZVFWFLSA-N	1	1	402.539	1.075	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C	ZINC000804216969	1075691404	/nfs/dbraw/zinc/69/14/04/1075691404.db2.gz	RKYGXZAPWXVZQS-IKGGRYGDSA-N	1	1	412.575	1.985	20	0		HDADMO
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C2CCCCCC2)CC1	ZINC000029167354	1075692467	/nfs/dbraw/zinc/69/24/67/1075692467.db2.gz	JFRUWFKPEPYRID-UHFFFAOYSA-N	1	1	412.556	1.779	20	0		HDADMO
CCOc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cn1	ZINC000509250413	1075692801	/nfs/dbraw/zinc/69/28/01/1075692801.db2.gz	VCJFKXLZAHSNIQ-INIZCTEOSA-N	1	1	418.519	1.978	20	0		HDADMO
COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000584303723	1075693705	/nfs/dbraw/zinc/69/37/05/1075693705.db2.gz	LXFREAHRFPPUDW-SJORKVTESA-N	1	1	400.479	1.889	20	0		HDADMO
COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000584303723	1075693709	/nfs/dbraw/zinc/69/37/09/1075693709.db2.gz	LXFREAHRFPPUDW-SJORKVTESA-N	1	1	400.479	1.889	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC[N@H+]1CC(C)(C)O	ZINC000548737080	1075698090	/nfs/dbraw/zinc/69/80/90/1075698090.db2.gz	MQQZLDGEUXGIPC-CYBMUJFWSA-N	1	1	407.515	2.577	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1	ZINC000494443113	1075699568	/nfs/dbraw/zinc/69/95/68/1075699568.db2.gz	AQMSZIVSKUIRBE-NVXWUHKLSA-N	1	1	415.567	1.863	20	0		HDADMO
COc1coc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)cc1=O	ZINC001084993325	1075699638	/nfs/dbraw/zinc/69/96/38/1075699638.db2.gz	YJQPDJQOLYJOBO-NKFHJUDESA-N	1	1	400.475	1.495	20	0		HDADMO
COc1coc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)cc1=O	ZINC001084993325	1075699639	/nfs/dbraw/zinc/69/96/39/1075699639.db2.gz	YJQPDJQOLYJOBO-NKFHJUDESA-N	1	1	400.475	1.495	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000732292816	1075700966	/nfs/dbraw/zinc/70/09/66/1075700966.db2.gz	ACWWPAUHEQBOIF-AWEZNQCLSA-N	1	1	408.549	1.902	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](COC)C1	ZINC001545675534	1075701023	/nfs/dbraw/zinc/70/10/23/1075701023.db2.gz	ZRZIEDGWKAVPHQ-HKUYNNGSSA-N	1	1	402.543	1.846	20	0		HDADMO
COc1cc2[nH+]c(N[C@@H](C)c3cccc(S(N)(=O)=O)c3)nc(N)c2cc1OC	ZINC000486446473	1075703369	/nfs/dbraw/zinc/70/33/69/1075703369.db2.gz	CYBQISXCMBZACI-JTQLQIEISA-N	1	1	403.464	1.472	20	0		HDADMO
Cc1ccc(Nc2nc(N)nc(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2)cc1	ZINC000486237273	1075703776	/nfs/dbraw/zinc/70/37/76/1075703776.db2.gz	VTULMDZMKYDLSS-KRWDZBQOSA-N	1	1	410.526	1.244	20	0		HDADMO
C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000554847825	1075709072	/nfs/dbraw/zinc/70/90/72/1075709072.db2.gz	FZZUENPOLFSPQD-IKGGRYGDSA-N	1	1	411.506	1.925	20	0		HDADMO
C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000554847825	1075709076	/nfs/dbraw/zinc/70/90/76/1075709076.db2.gz	FZZUENPOLFSPQD-IKGGRYGDSA-N	1	1	411.506	1.925	20	0		HDADMO
C[C@@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000732339647	1075709988	/nfs/dbraw/zinc/70/99/88/1075709988.db2.gz	QSDLLHDPUVHMTN-RHSMWYFYSA-N	1	1	421.453	1.506	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1	ZINC000732340862	1075710801	/nfs/dbraw/zinc/71/08/01/1075710801.db2.gz	NXEMDFRSZZKQCB-HNNXBMFYSA-N	1	1	421.453	1.632	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1	ZINC000558759177	1075712096	/nfs/dbraw/zinc/71/20/96/1075712096.db2.gz	GIPIREYPWLEINC-QGZVFWFLSA-N	1	1	413.526	1.789	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2nc(N)ns2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000498719316	1075712912	/nfs/dbraw/zinc/71/29/12/1075712912.db2.gz	UWXFBIXRGIPGLJ-DOTOQJQBSA-N	1	1	415.567	1.863	20	0		HDADMO
C[C@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1c(F)cccc1F	ZINC000443486950	1075713229	/nfs/dbraw/zinc/71/32/29/1075713229.db2.gz	HTPOWBAAKWELHD-AAEUAGOBSA-N	1	1	406.437	2.020	20	0		HDADMO
C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1c(F)cccc1F	ZINC000443486950	1075713234	/nfs/dbraw/zinc/71/32/34/1075713234.db2.gz	HTPOWBAAKWELHD-AAEUAGOBSA-N	1	1	406.437	2.020	20	0		HDADMO
CC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439246	1075713519	/nfs/dbraw/zinc/71/35/19/1075713519.db2.gz	DHVTVUHLQKVHMY-GCJKJVERSA-N	1	1	402.539	1.077	20	0		HDADMO
CO[C@]1(C)C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C	ZINC000509438719	1075716374	/nfs/dbraw/zinc/71/63/74/1075716374.db2.gz	NPMYTZFLGRPGAR-GEQKSPFYSA-N	1	1	416.566	1.633	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1	ZINC000551220939	1075723018	/nfs/dbraw/zinc/72/30/18/1075723018.db2.gz	FPSXDEZCUFILEG-OCCSQVGLSA-N	1	1	413.444	1.760	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@@H+]1Cc1ccccc1	ZINC000466709564	1075723267	/nfs/dbraw/zinc/72/32/67/1075723267.db2.gz	DWAXOMJIOMMXAM-AEFFLSMTSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@H+]1Cc1ccccc1	ZINC000466709564	1075723272	/nfs/dbraw/zinc/72/32/72/1075723272.db2.gz	DWAXOMJIOMMXAM-AEFFLSMTSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC(F)(F)F	ZINC000509440972	1075724575	/nfs/dbraw/zinc/72/45/75/1075724575.db2.gz	HZXVNFYNCVZQBE-OAHLLOKOSA-N	1	1	400.445	1.724	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCc1cccc(N(C)C)n1	ZINC000509442036	1075727138	/nfs/dbraw/zinc/72/71/38/1075727138.db2.gz	LYVPTZSDGVRYTI-GOSISDBHSA-N	1	1	424.549	1.091	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000429260801	1075727307	/nfs/dbraw/zinc/72/73/07/1075727307.db2.gz	OFRYCIDIDGYIHN-HNNXBMFYSA-N	1	1	407.540	1.832	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000732406259	1075735225	/nfs/dbraw/zinc/73/52/25/1075735225.db2.gz	CVGHYNJMWVPLGW-BQYQJAHWSA-N	1	1	422.485	1.342	20	0		HDADMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCc3nc(N)ncc3C2)cn1	ZINC000552493463	1075737400	/nfs/dbraw/zinc/73/74/00/1075737400.db2.gz	QXWHEUMPWFRMER-UXHICEINSA-N	1	1	417.517	1.593	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1	ZINC000509443069	1075738011	/nfs/dbraw/zinc/73/80/11/1075738011.db2.gz	WZHXWOHZDFQDLY-ICSRJNTNSA-N	1	1	424.549	1.790	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)C[C@@H]1C	ZINC000509443088	1075738406	/nfs/dbraw/zinc/73/84/06/1075738406.db2.gz	XDRUJBLWINONRZ-AABGKKOBSA-N	1	1	415.582	1.254	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)C[C@@H]1C	ZINC000509443088	1075738410	/nfs/dbraw/zinc/73/84/10/1075738410.db2.gz	XDRUJBLWINONRZ-AABGKKOBSA-N	1	1	415.582	1.254	20	0		HDADMO
CCS(=O)(=O)CCNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000732432083	1075743576	/nfs/dbraw/zinc/74/35/76/1075743576.db2.gz	FDNYSICVFHUMQR-UHFFFAOYSA-N	1	1	408.524	1.530	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1	ZINC000732446121	1075746792	/nfs/dbraw/zinc/74/67/92/1075746792.db2.gz	XTDURWZPVKQISV-HNNXBMFYSA-N	1	1	413.563	1.532	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N1CCCC[C@H]1CN1CCCC1=O	ZINC000732445556	1075747080	/nfs/dbraw/zinc/74/70/80/1075747080.db2.gz	NLGOFVVGLMMIDD-NRFANRHFSA-N	1	1	413.566	1.995	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@H]1C1OCCO1	ZINC000732458175	1075749055	/nfs/dbraw/zinc/74/90/55/1075749055.db2.gz	FDJGEGYERWHYFK-IBGZPJMESA-N	1	1	403.527	1.531	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000429268421	1075750561	/nfs/dbraw/zinc/75/05/61/1075750561.db2.gz	BUBFJSUVQZBNQD-UHFFFAOYSA-N	1	1	411.568	1.493	20	0		HDADMO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509265732	1075758607	/nfs/dbraw/zinc/75/86/07/1075758607.db2.gz	BFURHPKCMBGQOZ-HUUCEWRRSA-N	1	1	400.570	1.352	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)Cc1ccc(F)cc1	ZINC000469248090	1075761221	/nfs/dbraw/zinc/76/12/21/1075761221.db2.gz	VQAOFVVUABDDEN-UHFFFAOYSA-N	1	1	424.480	1.847	20	0		HDADMO
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000442623203	1075765289	/nfs/dbraw/zinc/76/52/89/1075765289.db2.gz	RYCMNIFKZAZWRG-IBGZPJMESA-N	1	1	418.501	2.186	20	0		HDADMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000442623203	1075765295	/nfs/dbraw/zinc/76/52/95/1075765295.db2.gz	RYCMNIFKZAZWRG-IBGZPJMESA-N	1	1	418.501	2.186	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)C1=CC[N@@H+](C)CC1	ZINC000442335693	1075765784	/nfs/dbraw/zinc/76/57/84/1075765784.db2.gz	PIABHWKBFWNQNL-ZDUSSCGKSA-N	1	1	402.886	1.685	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-c2cnn(C)c2)nn1	ZINC000433686476	1075766154	/nfs/dbraw/zinc/76/61/54/1075766154.db2.gz	TXYSEOMVXHYADT-QFIPXVFZSA-N	1	1	421.505	1.978	20	0		HDADMO
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000442623205	1075766693	/nfs/dbraw/zinc/76/66/93/1075766693.db2.gz	RYCMNIFKZAZWRG-LJQANCHMSA-N	1	1	418.501	2.186	20	0		HDADMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000442623205	1075766697	/nfs/dbraw/zinc/76/66/97/1075766697.db2.gz	RYCMNIFKZAZWRG-LJQANCHMSA-N	1	1	418.501	2.186	20	0		HDADMO
O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000509268272	1075769831	/nfs/dbraw/zinc/76/98/31/1075769831.db2.gz	ONWSKXQMEAYJDA-JKSUJKDBSA-N	1	1	412.581	1.638	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1CC1	ZINC000804222625	1075775222	/nfs/dbraw/zinc/77/52/22/1075775222.db2.gz	QVHRJJAQDVOXPY-OAQYLSRUSA-N	1	1	410.559	1.740	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1	ZINC000804223651	1075775274	/nfs/dbraw/zinc/77/52/74/1075775274.db2.gz	PWAMJMVULOPZKK-JWTNVVGKSA-N	1	1	422.570	1.976	20	0		HDADMO
CN(C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000509269385	1075783132	/nfs/dbraw/zinc/78/31/32/1075783132.db2.gz	SSQRJDVRELMHSO-GOEBONIOSA-N	1	1	412.581	1.637	20	0		HDADMO
CN(C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000509269389	1075783516	/nfs/dbraw/zinc/78/35/16/1075783516.db2.gz	SSQRJDVRELMHSO-ZBFHGGJFSA-N	1	1	412.581	1.637	20	0		HDADMO
CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559235	1075785279	/nfs/dbraw/zinc/78/52/79/1075785279.db2.gz	JHSANORPCVZHGD-SJORKVTESA-N	1	1	412.600	1.923	20	0		HDADMO
CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559235	1075785280	/nfs/dbraw/zinc/78/52/80/1075785280.db2.gz	JHSANORPCVZHGD-SJORKVTESA-N	1	1	412.600	1.923	20	0		HDADMO
CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559283	1075785463	/nfs/dbraw/zinc/78/54/63/1075785463.db2.gz	KLZYNRJRQAQHHK-UZLBHIALSA-N	1	1	402.514	1.806	20	0		HDADMO
CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559283	1075785470	/nfs/dbraw/zinc/78/54/70/1075785470.db2.gz	KLZYNRJRQAQHHK-UZLBHIALSA-N	1	1	402.514	1.806	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1	ZINC000509273139	1075786644	/nfs/dbraw/zinc/78/66/44/1075786644.db2.gz	YDPQLZLQOUKGMH-MRXNPFEDSA-N	1	1	417.597	1.868	20	0		HDADMO
CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000732560428	1075786886	/nfs/dbraw/zinc/78/68/86/1075786886.db2.gz	ZFSZQABRGMZJPS-SFHVURJKSA-N	1	1	424.567	1.109	20	0		HDADMO
CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000732560428	1075786896	/nfs/dbraw/zinc/78/68/96/1075786896.db2.gz	ZFSZQABRGMZJPS-SFHVURJKSA-N	1	1	424.567	1.109	20	0		HDADMO
C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)C2)C1	ZINC000480100346	1075790047	/nfs/dbraw/zinc/79/00/47/1075790047.db2.gz	PIIXPSDJRXCJFK-HXUWFJFHSA-N	1	1	416.913	1.863	20	0		HDADMO
CC(=O)N1CCC(NC(=O)CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000732569025	1075790254	/nfs/dbraw/zinc/79/02/54/1075790254.db2.gz	UNZLSBOJBAQHEW-CYBMUJFWSA-N	1	1	413.519	1.115	20	0		HDADMO
CSC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000429279366	1075796591	/nfs/dbraw/zinc/79/65/91/1075796591.db2.gz	LHTAGTYUDIJBDJ-QGZVFWFLSA-N	1	1	411.593	1.595	20	0		HDADMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)Nc3cc4ccccn4n3)CC2)C[C@H](C)O1	ZINC000554437326	1075809023	/nfs/dbraw/zinc/80/90/23/1075809023.db2.gz	DCCJMLDZHWFVAZ-IRXDYDNUSA-N	1	1	401.511	2.456	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)CCO1	ZINC000444505294	1075809213	/nfs/dbraw/zinc/80/92/13/1075809213.db2.gz	GLEGNORRZHZBDI-AWEZNQCLSA-N	1	1	421.448	1.624	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)CCO1	ZINC000444505294	1075809217	/nfs/dbraw/zinc/80/92/17/1075809217.db2.gz	GLEGNORRZHZBDI-AWEZNQCLSA-N	1	1	421.448	1.624	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc4n(n3)CCCC4)c2)CCO1	ZINC000498029591	1075809237	/nfs/dbraw/zinc/80/92/37/1075809237.db2.gz	QJPZNCDHKBEGBK-INIZCTEOSA-N	1	1	411.506	1.695	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc4n(n3)CCCC4)c2)CCO1	ZINC000498029591	1075809238	/nfs/dbraw/zinc/80/92/38/1075809238.db2.gz	QJPZNCDHKBEGBK-INIZCTEOSA-N	1	1	411.506	1.695	20	0		HDADMO
C[N@H+]1C[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC2)[C@@H](c2ccccc2)C1	ZINC001064649814	1075811960	/nfs/dbraw/zinc/81/19/60/1075811960.db2.gz	XYKZPANCLKJQOJ-LVXVCZMBSA-N	1	1	423.557	1.910	20	0		HDADMO
CSC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1	ZINC000429285385	1075815440	/nfs/dbraw/zinc/81/54/40/1075815440.db2.gz	OBRRRSBPPTTXBJ-OAHLLOKOSA-N	1	1	403.556	1.087	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1	ZINC000611036667	1075817745	/nfs/dbraw/zinc/81/77/45/1075817745.db2.gz	GMTDGMIUSSEOJI-HNNXBMFYSA-N	1	1	411.524	1.636	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1	ZINC000611036667	1075817754	/nfs/dbraw/zinc/81/77/54/1075817754.db2.gz	GMTDGMIUSSEOJI-HNNXBMFYSA-N	1	1	411.524	1.636	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1	ZINC000611037087	1075818029	/nfs/dbraw/zinc/81/80/29/1075818029.db2.gz	BDWQDWBDHQVZFT-AWEZNQCLSA-N	1	1	404.446	1.795	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1	ZINC000611037087	1075818031	/nfs/dbraw/zinc/81/80/31/1075818031.db2.gz	BDWQDWBDHQVZFT-AWEZNQCLSA-N	1	1	404.446	1.795	20	0		HDADMO
CCOC(=O)CC[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1	ZINC000611065821	1075823464	/nfs/dbraw/zinc/82/34/64/1075823464.db2.gz	HESZLVUMARBVER-MSOLQXFVSA-N	1	1	410.559	1.694	20	0		HDADMO
CNC(=O)Cn1nc(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1C	ZINC000469663629	1075824052	/nfs/dbraw/zinc/82/40/52/1075824052.db2.gz	WSHBUZOSKGKXJN-GOSISDBHSA-N	1	1	400.527	2.216	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)C[C@@H]1C	ZINC000611100482	1075833975	/nfs/dbraw/zinc/83/39/75/1075833975.db2.gz	GQCCZEJGOQSJMP-HNNXBMFYSA-N	1	1	413.474	1.883	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)C[C@@H]1C	ZINC000611100482	1075833978	/nfs/dbraw/zinc/83/39/78/1075833978.db2.gz	GQCCZEJGOQSJMP-HNNXBMFYSA-N	1	1	413.474	1.883	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1	ZINC000732703802	1075838012	/nfs/dbraw/zinc/83/80/12/1075838012.db2.gz	LAQMNAFFMKXLOD-ZCNNSNEGSA-N	1	1	422.957	1.564	20	0		HDADMO
CC[N@H+]1CCN(CCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@@H]1C	ZINC000611091864	1075839984	/nfs/dbraw/zinc/83/99/84/1075839984.db2.gz	AOBIIEYIDQTHCH-LBPRGKRZSA-N	1	1	411.524	1.984	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CC[N@@H+](CC)[C@@H](C)C1	ZINC000611091872	1075840161	/nfs/dbraw/zinc/84/01/61/1075840161.db2.gz	BFTVCYPINSOVMT-ZDUSSCGKSA-N	1	1	424.567	1.900	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000611097554	1075842073	/nfs/dbraw/zinc/84/20/73/1075842073.db2.gz	HLZIBWQAAAVJQU-KSSFIOAISA-N	1	1	401.467	1.808	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000611097554	1075842080	/nfs/dbraw/zinc/84/20/80/1075842080.db2.gz	HLZIBWQAAAVJQU-KSSFIOAISA-N	1	1	401.467	1.808	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cncc(I)c3)CC2)C1	ZINC000611134455	1075849919	/nfs/dbraw/zinc/84/99/19/1075849919.db2.gz	PDSMXOIUJWANLP-HNNXBMFYSA-N	1	1	414.291	1.538	20	0		HDADMO
C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2I)C1	ZINC000611148061	1075856542	/nfs/dbraw/zinc/85/65/42/1075856542.db2.gz	FXXBNAQLJRHQOT-VIFPVBQESA-N	1	1	405.211	1.579	20	0		HDADMO
COCC1CC[NH+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)CC1	ZINC000732799426	1075861292	/nfs/dbraw/zinc/86/12/92/1075861292.db2.gz	RJYHVDQGTHFDBE-OAQYLSRUSA-N	1	1	403.479	1.974	20	0		HDADMO
O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)N1CCN2CCOC[C@H]2C1	ZINC000543608453	1075865773	/nfs/dbraw/zinc/86/57/73/1075865773.db2.gz	HIAJKYTYRFZCPI-HXUWFJFHSA-N	1	1	413.522	1.522	20	0		HDADMO
CCc1ccc([C@]2(CC)NC(=O)N(C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)C2=O)cc1	ZINC000489106324	1075867316	/nfs/dbraw/zinc/86/73/16/1075867316.db2.gz	USEPYQYRNNLZOG-RZJBWQBDSA-N	1	1	403.523	1.876	20	0		HDADMO
COC(=O)c1sccc1NC(=O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000611181205	1075868127	/nfs/dbraw/zinc/86/81/27/1075868127.db2.gz	UAPGXYYKFVSGHG-UHFFFAOYSA-N	1	1	408.568	1.964	20	0		HDADMO
O=C(CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000732813095	1075874654	/nfs/dbraw/zinc/87/46/54/1075874654.db2.gz	UUMVONVIKLQHCD-INIZCTEOSA-N	1	1	419.526	1.139	20	0		HDADMO
COC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4ccc(C)c[nH+]4)CC3)CC2)nn1	ZINC000611214260	1075876005	/nfs/dbraw/zinc/87/60/05/1075876005.db2.gz	OEMMHPIQYYZSSD-UHFFFAOYSA-N	1	1	424.505	1.532	20	0		HDADMO
CN(C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732834144	1075882350	/nfs/dbraw/zinc/88/23/50/1075882350.db2.gz	NHPHMAVCUWLEGW-IRXDYDNUSA-N	1	1	413.440	1.806	20	0		HDADMO
CCOC(=O)c1cc(C)sc1NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000611244310	1075884742	/nfs/dbraw/zinc/88/47/42/1075884742.db2.gz	UFOYLSHRNZHLDN-INIZCTEOSA-N	1	1	422.551	1.586	20	0		HDADMO
COc1c(C(=O)OCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)nn1C	ZINC000732853605	1075886354	/nfs/dbraw/zinc/88/63/54/1075886354.db2.gz	ZGFZRNJRZYKKBU-INIZCTEOSA-N	1	1	400.479	1.799	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1	ZINC000732897179	1075900025	/nfs/dbraw/zinc/90/00/25/1075900025.db2.gz	YTOGVOAADIWZDI-UHFFFAOYSA-N	1	1	410.927	1.570	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)ccc1N1CCSCC1	ZINC000732897132	1075900495	/nfs/dbraw/zinc/90/04/95/1075900495.db2.gz	WWMAHBNFLAKQFW-UHFFFAOYSA-N	1	1	408.593	1.652	20	0		HDADMO
COC(=O)c1cc2cc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)ccc2o1	ZINC000611365628	1075913640	/nfs/dbraw/zinc/91/36/40/1075913640.db2.gz	IDOIPCKJIMSSMV-HOTGVXAUSA-N	1	1	415.446	1.216	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)[C@H](C)C1	ZINC000611384802	1075923074	/nfs/dbraw/zinc/92/30/74/1075923074.db2.gz	WMESZLPFDUQPFV-ZHALLVOQSA-N	1	1	401.507	1.692	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)[C@H](C)C1	ZINC000611384802	1075923075	/nfs/dbraw/zinc/92/30/75/1075923075.db2.gz	WMESZLPFDUQPFV-ZHALLVOQSA-N	1	1	401.507	1.692	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)[C@H](C)C1	ZINC000611395331	1075924111	/nfs/dbraw/zinc/92/41/11/1075924111.db2.gz	ZQMBHPRQKZTNCO-AEFFLSMTSA-N	1	1	404.511	1.485	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)[C@H](C)C1	ZINC000611395331	1075924113	/nfs/dbraw/zinc/92/41/13/1075924113.db2.gz	ZQMBHPRQKZTNCO-AEFFLSMTSA-N	1	1	404.511	1.485	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)[C@@H](C)C1	ZINC000611401306	1075925288	/nfs/dbraw/zinc/92/52/88/1075925288.db2.gz	ZGCPUNRJRYRAJY-FXAWDEMLSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)[C@@H](C)C1	ZINC000611401306	1075925292	/nfs/dbraw/zinc/92/52/92/1075925292.db2.gz	ZGCPUNRJRYRAJY-FXAWDEMLSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)[C@H](C)C1	ZINC000611401246	1075925429	/nfs/dbraw/zinc/92/54/29/1075925429.db2.gz	KRQDJWPDWVCADS-CQSZACIVSA-N	1	1	415.538	1.922	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)[C@H](C)C1	ZINC000611401246	1075925433	/nfs/dbraw/zinc/92/54/33/1075925433.db2.gz	KRQDJWPDWVCADS-CQSZACIVSA-N	1	1	415.538	1.922	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@H](C)C1	ZINC000611401541	1075925784	/nfs/dbraw/zinc/92/57/84/1075925784.db2.gz	XGPRSJNXIOQVBN-UTKZUKDTSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@H](C)C1	ZINC000611401541	1075925786	/nfs/dbraw/zinc/92/57/86/1075925786.db2.gz	XGPRSJNXIOQVBN-UTKZUKDTSA-N	1	1	403.523	1.466	20	0		HDADMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(CCO)CCN3CCOCC3)cc2)C1	ZINC000489768251	1075928244	/nfs/dbraw/zinc/92/82/44/1075928244.db2.gz	CYFJEKGWWYIZJO-HXUWFJFHSA-N	1	1	418.582	1.755	20	0		HDADMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CCO)CCN2CCOCC2)C1	ZINC000489800213	1075931846	/nfs/dbraw/zinc/93/18/46/1075931846.db2.gz	AIOZTRCLWLUXRH-HXUWFJFHSA-N	1	1	418.582	1.755	20	0		HDADMO
COC(=O)CC(C)(C)CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000611441446	1075934534	/nfs/dbraw/zinc/93/45/34/1075934534.db2.gz	MPOAUOLILJFQOH-GOSISDBHSA-N	1	1	403.523	1.980	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1C	ZINC000611457275	1075938910	/nfs/dbraw/zinc/93/89/10/1075938910.db2.gz	PSSPARKFKZLZPN-AWEZNQCLSA-N	1	1	409.508	1.495	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1	ZINC000732989121	1075941006	/nfs/dbraw/zinc/94/10/06/1075941006.db2.gz	OIDNTYLKECKTIR-IAGOWNOFSA-N	1	1	410.559	1.550	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)C[C@H]1C	ZINC000611484546	1075946684	/nfs/dbraw/zinc/94/66/84/1075946684.db2.gz	AGFSNMMTJLSHOY-YLJYHZDGSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)C[C@H]1C	ZINC000611484546	1075946687	/nfs/dbraw/zinc/94/66/87/1075946687.db2.gz	AGFSNMMTJLSHOY-YLJYHZDGSA-N	1	1	403.523	1.845	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733046078	1075953141	/nfs/dbraw/zinc/95/31/41/1075953141.db2.gz	FZEFCZDUYMJHRS-OAHLLOKOSA-N	1	1	400.479	1.578	20	0		HDADMO
Cc1cc(NC(=O)NCCCCN2CC[NH+](C)CC2)ccc1N1C(=O)CCC1=O	ZINC000733036996	1075960886	/nfs/dbraw/zinc/96/08/86/1075960886.db2.gz	RCRCYCJMEMNMDW-UHFFFAOYSA-N	1	1	401.511	1.798	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733039974	1075962717	/nfs/dbraw/zinc/96/27/17/1075962717.db2.gz	YQVIMCXHBRNXKD-KBPBESRZSA-N	1	1	410.531	1.670	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)/C(=C/c1cccnc1)NC(=O)c1ccccc1	ZINC000733143019	1075975419	/nfs/dbraw/zinc/97/54/19/1075975419.db2.gz	BXTAEJRDDBQQCH-KSQXCSSUSA-N	1	1	406.486	1.832	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nn2cnc3sc(C)c(C)c3c2=O)CC1=O	ZINC000733129344	1075979509	/nfs/dbraw/zinc/97/95/09/1075979509.db2.gz	WDRQGTIJOWUJFN-LSDHHAIUSA-N	1	1	417.535	1.478	20	0		HDADMO
CN(C)c1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc(Cl)n1	ZINC000733129490	1075979543	/nfs/dbraw/zinc/97/95/43/1075979543.db2.gz	BUXAOJSERNDZFB-UHFFFAOYSA-N	1	1	403.918	1.533	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000733157415	1075990251	/nfs/dbraw/zinc/99/02/51/1075990251.db2.gz	WUPSKGYGTCGWBR-GOSISDBHSA-N	1	1	416.570	1.199	20	0		HDADMO
CN1CC[NH+](Cc2ccc(C(=O)N3CCC(N4CCCS4(=O)=O)CC3)cc2)CC1	ZINC001299300113	1075991647	/nfs/dbraw/zinc/99/16/47/1075991647.db2.gz	AVEUHDCYJSFSNH-UHFFFAOYSA-N	1	1	420.579	1.074	20	0		HDADMO
CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000493874283	1075992832	/nfs/dbraw/zinc/99/28/32/1075992832.db2.gz	OCBYSHXTWGNFBU-GFCCVEGCSA-N	1	1	405.446	1.867	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C2CC2)C1	ZINC001081148468	1076002817	/nfs/dbraw/zinc/00/28/17/1076002817.db2.gz	LACSIORFLBGVQC-OSFNYYGPSA-N	1	1	420.517	1.516	20	0		HDADMO
C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000513229473	1076004464	/nfs/dbraw/zinc/00/44/64/1076004464.db2.gz	ZFNABNPVLSVSAR-HOJAQTOUSA-N	1	1	405.564	1.401	20	0		HDADMO
C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000513229473	1076004470	/nfs/dbraw/zinc/00/44/70/1076004470.db2.gz	ZFNABNPVLSVSAR-HOJAQTOUSA-N	1	1	405.564	1.401	20	0		HDADMO
CC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H](C)Cc1ccsc1	ZINC000495201854	1076005688	/nfs/dbraw/zinc/00/56/88/1076005688.db2.gz	MJHRVNAOOGOVSF-GOSISDBHSA-N	1	1	422.595	1.004	20	0		HDADMO
COC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1	ZINC000733185043	1076012345	/nfs/dbraw/zinc/01/23/45/1076012345.db2.gz	PKUXCHRIYWLPLV-BTYIYWSLSA-N	1	1	416.478	1.726	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1	ZINC000733185043	1076012353	/nfs/dbraw/zinc/01/23/53/1076012353.db2.gz	PKUXCHRIYWLPLV-BTYIYWSLSA-N	1	1	416.478	1.726	20	0		HDADMO
COC(=O)CC[N@H+](CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O)C(C)C	ZINC000733184313	1076012397	/nfs/dbraw/zinc/01/23/97/1076012397.db2.gz	PIJVWUSRFOXSCP-OAQYLSRUSA-N	1	1	419.478	1.889	20	0		HDADMO
COC(=O)CC[N@@H+](CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O)C(C)C	ZINC000733184313	1076012403	/nfs/dbraw/zinc/01/24/03/1076012403.db2.gz	PIJVWUSRFOXSCP-OAQYLSRUSA-N	1	1	419.478	1.889	20	0		HDADMO
COC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1	ZINC000733185056	1076012771	/nfs/dbraw/zinc/01/27/71/1076012771.db2.gz	PKUXCHRIYWLPLV-YCRPNKLZSA-N	1	1	416.478	1.726	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1	ZINC000733185056	1076012778	/nfs/dbraw/zinc/01/27/78/1076012778.db2.gz	PKUXCHRIYWLPLV-YCRPNKLZSA-N	1	1	416.478	1.726	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)C2)no1	ZINC000514020161	1076015914	/nfs/dbraw/zinc/01/59/14/1076015914.db2.gz	LUNNFBGYWRUNAV-QZTJIDSGSA-N	1	1	420.558	1.742	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3CC)C2)no1	ZINC000514033799	1076017259	/nfs/dbraw/zinc/01/72/59/1076017259.db2.gz	YXOQONBEWZAMRF-SJORKVTESA-N	1	1	406.531	1.639	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973125	1076021231	/nfs/dbraw/zinc/02/12/31/1076021231.db2.gz	FXRANJCJODNKBL-VNXMGFANSA-N	1	1	402.535	1.795	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)C(=O)N3CCc4ccccc4CC3)CC2)nc(C)[nH+]1	ZINC000514630119	1076022916	/nfs/dbraw/zinc/02/29/16/1076022916.db2.gz	UNNDBAJKMDWHKL-UHFFFAOYSA-N	1	1	407.518	1.806	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Oc2ccc(NC(=O)COC)cc2)CC1=O	ZINC000733270256	1076025847	/nfs/dbraw/zinc/02/58/47/1076025847.db2.gz	MGKWZMWVTKSJHW-WBVHZDCISA-N	1	1	403.479	1.510	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O	ZINC000733274218	1076026960	/nfs/dbraw/zinc/02/69/60/1076026960.db2.gz	VFRAACSWZPJHGL-DYESRHJHSA-N	1	1	404.486	1.973	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC000733274326	1076027358	/nfs/dbraw/zinc/02/73/58/1076027358.db2.gz	XVUBOYHOEYZXKI-VGOFRKELSA-N	1	1	416.522	1.843	20	0		HDADMO
Cc1cccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1	ZINC000052816058	1076028854	/nfs/dbraw/zinc/02/88/54/1076028854.db2.gz	MIRHRVBAIWGKHT-QHAWAJNXSA-N	1	1	403.567	1.857	20	0		HDADMO
Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1	ZINC000052816092	1076029205	/nfs/dbraw/zinc/02/92/05/1076029205.db2.gz	JVXMGHYYUXTFSB-PCCBWWKXSA-N	1	1	403.567	1.857	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1	ZINC000727037559	1076031563	/nfs/dbraw/zinc/03/15/63/1076031563.db2.gz	IEBDIMKGDMVVRR-UHFFFAOYSA-N	1	1	403.402	1.881	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ncon3)cc2)cn1	ZINC000727039460	1076032071	/nfs/dbraw/zinc/03/20/71/1076032071.db2.gz	XHFMZYWAHDUSCC-UHFFFAOYSA-N	1	1	403.402	1.881	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3c(c2O)OC(C)(C)C3)C1	ZINC000727024700	1076032960	/nfs/dbraw/zinc/03/29/60/1076032960.db2.gz	LVFSMUWUCMKNFF-INIZCTEOSA-N	1	1	420.506	1.736	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1	ZINC000727104642	1076045491	/nfs/dbraw/zinc/04/54/91/1076045491.db2.gz	XNTLFIVJDDJZDG-GOSISDBHSA-N	1	1	412.494	1.356	20	0		HDADMO
CO[C@H](CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(F)(F)F	ZINC000733357220	1076051236	/nfs/dbraw/zinc/05/12/36/1076051236.db2.gz	QYLICFGWZZISMB-JKSUJKDBSA-N	1	1	416.444	1.760	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1	ZINC000733368858	1076056290	/nfs/dbraw/zinc/05/62/90/1076056290.db2.gz	GDQOMIKSTHLABS-UHFFFAOYSA-N	1	1	407.467	1.600	20	0		HDADMO
CC(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000053943945	1076060211	/nfs/dbraw/zinc/06/02/11/1076060211.db2.gz	UNMNPLFQUNFWMD-UHFFFAOYSA-N	1	1	403.932	1.887	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1nnc(-c2ccco2)o1	ZINC001082658050	1076062208	/nfs/dbraw/zinc/06/22/08/1076062208.db2.gz	JNMCDRJBWUCZSM-SUKQMUEJSA-N	1	1	402.451	1.318	20	0		HDADMO
COC(=O)C1=C(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000727158136	1076071801	/nfs/dbraw/zinc/07/18/01/1076071801.db2.gz	BOHAHIHIDOPRRW-YWZLYKJASA-N	1	1	414.506	1.787	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000727158136	1076071806	/nfs/dbraw/zinc/07/18/06/1076071806.db2.gz	BOHAHIHIDOPRRW-YWZLYKJASA-N	1	1	414.506	1.787	20	0		HDADMO
COC(=O)C1=C(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000727158134	1076071927	/nfs/dbraw/zinc/07/19/27/1076071927.db2.gz	BOHAHIHIDOPRRW-MGPUTAFESA-N	1	1	414.506	1.787	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000727158134	1076071931	/nfs/dbraw/zinc/07/19/31/1076071931.db2.gz	BOHAHIHIDOPRRW-MGPUTAFESA-N	1	1	414.506	1.787	20	0		HDADMO
COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1	ZINC000727242933	1076088432	/nfs/dbraw/zinc/08/84/32/1076088432.db2.gz	UXEADKBEPCUGKL-GJGORFQUSA-N	1	1	418.494	1.886	20	0		HDADMO
COC(=O)NCCCC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1	ZINC000733543859	1076091951	/nfs/dbraw/zinc/09/19/51/1076091951.db2.gz	XSLQJVLSSSWFJO-UHFFFAOYSA-N	1	1	405.495	1.709	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)COc2ccccc2C=O)CC1	ZINC000727372261	1076100058	/nfs/dbraw/zinc/10/00/58/1076100058.db2.gz	SRFLPHSRVROAFW-UHFFFAOYSA-N	1	1	405.495	1.937	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCCO1	ZINC000727438211	1076120714	/nfs/dbraw/zinc/12/07/14/1076120714.db2.gz	ZRNCRCRAIHJSFO-KWJIGKFDSA-N	1	1	407.536	1.242	20	0		HDADMO
COC(=O)CC[N@@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C(C)C	ZINC000733613547	1076129044	/nfs/dbraw/zinc/12/90/44/1076129044.db2.gz	AYGIYPUHMOTGGJ-UHFFFAOYSA-N	1	1	407.486	1.950	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](CC(N)=O)CC1	ZINC000727491453	1076137312	/nfs/dbraw/zinc/13/73/12/1076137312.db2.gz	YERRLUMZAQDFCV-KRWDZBQOSA-N	1	1	404.511	1.188	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000733650370	1076141142	/nfs/dbraw/zinc/14/11/42/1076141142.db2.gz	ZGOGSEAQCMARMX-IEBWSBKVSA-N	1	1	402.495	1.766	20	0		HDADMO
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000733667935	1076148732	/nfs/dbraw/zinc/14/87/32/1076148732.db2.gz	FSBXQSSYHZABFC-HZPDHXFCSA-N	1	1	424.567	1.047	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1	ZINC000733668008	1076148764	/nfs/dbraw/zinc/14/87/64/1076148764.db2.gz	AJXXNDVXUZKCKA-SFHVURJKSA-N	1	1	402.495	1.958	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)CC1	ZINC000727585313	1076170698	/nfs/dbraw/zinc/17/06/98/1076170698.db2.gz	HSXFLNIGYQGJEF-UHFFFAOYSA-N	1	1	420.510	1.519	20	0		HDADMO
CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cn1	ZINC000727611948	1076181452	/nfs/dbraw/zinc/18/14/52/1076181452.db2.gz	FRUHXWXNLNJFKE-CYBMUJFWSA-N	1	1	403.483	1.968	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1	ZINC000727645913	1076198665	/nfs/dbraw/zinc/19/86/65/1076198665.db2.gz	CFDQJUPMNOQYID-UHFFFAOYSA-N	1	1	412.450	1.491	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]([C@@H](C)C3CC3)C3CC3)C2=O)c1	ZINC000733793696	1076202147	/nfs/dbraw/zinc/20/21/47/1076202147.db2.gz	RRLCXHOVFQCBBO-ZSEKCTLFSA-N	1	1	400.479	1.756	20	0		HDADMO
CCOC(=O)C1=C(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)NC(=O)N[C@@H]1c1ccco1	ZINC000733795123	1076215463	/nfs/dbraw/zinc/21/54/63/1076215463.db2.gz	APNDRPWGVBATEM-CXAGYDPISA-N	1	1	417.462	1.726	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1	ZINC000733854007	1076230363	/nfs/dbraw/zinc/23/03/63/1076230363.db2.gz	ONKOSZPURWNFIJ-SJORKVTESA-N	1	1	411.510	1.714	20	0		HDADMO
O=C1CC2(CN1)CC[NH+]([C@@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)CC2	ZINC000531443972	1076237340	/nfs/dbraw/zinc/23/73/40/1076237340.db2.gz	WJBRLPQDKISBLO-CQSZACIVSA-N	1	1	406.280	1.683	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000533849147	1076246078	/nfs/dbraw/zinc/24/60/78/1076246078.db2.gz	YLLJUYKUKJGGLA-IBGZPJMESA-N	1	1	415.519	1.284	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000533849147	1076246080	/nfs/dbraw/zinc/24/60/80/1076246080.db2.gz	YLLJUYKUKJGGLA-IBGZPJMESA-N	1	1	415.519	1.284	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000533847386	1076246167	/nfs/dbraw/zinc/24/61/67/1076246167.db2.gz	LYLWKRKGAKIEOT-IBGZPJMESA-N	1	1	423.521	1.001	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000533847386	1076246169	/nfs/dbraw/zinc/24/61/69/1076246169.db2.gz	LYLWKRKGAKIEOT-IBGZPJMESA-N	1	1	423.521	1.001	20	0		HDADMO
CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000534183908	1076246853	/nfs/dbraw/zinc/24/68/53/1076246853.db2.gz	OBGPMCJEAGBWSR-NHCUHLMSSA-N	1	1	416.543	1.844	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)C1	ZINC000534530671	1076247448	/nfs/dbraw/zinc/24/74/48/1076247448.db2.gz	GVBBWCGFTSYCCI-HXUWFJFHSA-N	1	1	422.533	1.769	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)C1	ZINC000534530671	1076247452	/nfs/dbraw/zinc/24/74/52/1076247452.db2.gz	GVBBWCGFTSYCCI-HXUWFJFHSA-N	1	1	422.533	1.769	20	0		HDADMO
CCc1c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000534540246	1076247837	/nfs/dbraw/zinc/24/78/37/1076247837.db2.gz	GKRCJEPAWWRGMA-QGZVFWFLSA-N	1	1	407.474	1.111	20	0		HDADMO
CCc1c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000534540246	1076247842	/nfs/dbraw/zinc/24/78/42/1076247842.db2.gz	GKRCJEPAWWRGMA-QGZVFWFLSA-N	1	1	407.474	1.111	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000535295289	1076252355	/nfs/dbraw/zinc/25/23/55/1076252355.db2.gz	RMRSGBFAMMQGJO-IBGZPJMESA-N	1	1	402.520	1.971	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000535295289	1076252356	/nfs/dbraw/zinc/25/23/56/1076252356.db2.gz	RMRSGBFAMMQGJO-IBGZPJMESA-N	1	1	402.520	1.971	20	0		HDADMO
Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535317330	1076252545	/nfs/dbraw/zinc/25/25/45/1076252545.db2.gz	IJIKWYMVVOLIEZ-LJQANCHMSA-N	1	1	406.490	1.681	20	0		HDADMO
Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000535317330	1076252551	/nfs/dbraw/zinc/25/25/51/1076252551.db2.gz	IJIKWYMVVOLIEZ-LJQANCHMSA-N	1	1	406.490	1.681	20	0		HDADMO
C[C@@H]1CN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCN1c1nccn2cnnc12	ZINC000536025837	1076253948	/nfs/dbraw/zinc/25/39/48/1076253948.db2.gz	BLTGGMXADBJKJP-QAPCUYQASA-N	1	1	406.494	1.531	20	0		HDADMO
C[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCN1c1nccn2cnnc12	ZINC000536025837	1076253951	/nfs/dbraw/zinc/25/39/51/1076253951.db2.gz	BLTGGMXADBJKJP-QAPCUYQASA-N	1	1	406.494	1.531	20	0		HDADMO
COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536048283	1076254787	/nfs/dbraw/zinc/25/47/87/1076254787.db2.gz	RQTHOXNUTXVNSL-FXAWDEMLSA-N	1	1	417.554	1.042	20	0		HDADMO
COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536048283	1076254790	/nfs/dbraw/zinc/25/47/90/1076254790.db2.gz	RQTHOXNUTXVNSL-FXAWDEMLSA-N	1	1	417.554	1.042	20	0		HDADMO
O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000536532028	1076256595	/nfs/dbraw/zinc/25/65/95/1076256595.db2.gz	NAQFTIALLFFVMQ-GDBMZVCRSA-N	1	1	422.455	1.844	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@@H](C)O1	ZINC000536859632	1076256866	/nfs/dbraw/zinc/25/68/66/1076256866.db2.gz	UDNPAIKZPFOSQZ-VXGBXAGGSA-N	1	1	403.932	1.605	20	0		HDADMO
CN(C)C(=O)c1ccc(NC(=O)CN[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000733898691	1076259283	/nfs/dbraw/zinc/25/92/83/1076259283.db2.gz	RYPTUCMVYJDAKB-DEOSSOPVSA-N	1	1	424.545	1.944	20	0		HDADMO
CN(C)C(=O)c1ccc(NC(=O)CN[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000733898691	1076259286	/nfs/dbraw/zinc/25/92/86/1076259286.db2.gz	RYPTUCMVYJDAKB-DEOSSOPVSA-N	1	1	424.545	1.944	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](C(C)C)CC2)c1	ZINC000727807390	1076259739	/nfs/dbraw/zinc/25/97/39/1076259739.db2.gz	WKRXDFCBVCLWCV-UHFFFAOYSA-N	1	1	417.959	1.821	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1	ZINC000733975433	1076280390	/nfs/dbraw/zinc/28/03/90/1076280390.db2.gz	VOZCXHLGPBUMIO-UHFFFAOYSA-N	1	1	404.511	1.605	20	0		HDADMO
CCCCc1ccc(N2C[C@H](C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2=O)cc1	ZINC000733975497	1076280497	/nfs/dbraw/zinc/28/04/97/1076280497.db2.gz	YYAJCRGAODBUHD-LJQANCHMSA-N	1	1	414.550	1.662	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)c2cn(-c3ccccc3Br)nn2)n1C	ZINC000733970027	1076287648	/nfs/dbraw/zinc/28/76/48/1076287648.db2.gz	GNXDRIIJQUBDAV-UHFFFAOYSA-N	1	1	404.272	1.759	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)CC1=O	ZINC000734022497	1076292187	/nfs/dbraw/zinc/29/21/87/1076292187.db2.gz	JSKBSHXHEUZPKW-IUSZMWJPSA-N	1	1	409.477	1.621	20	0		HDADMO
COc1cccc(OCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)c1	ZINC001083147743	1076304274	/nfs/dbraw/zinc/30/42/74/1076304274.db2.gz	BQQAUWMQVODSAV-CWAYHHJTSA-N	1	1	414.502	1.409	20	0		HDADMO
COc1cccc(OCC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)c1	ZINC001083147743	1076304279	/nfs/dbraw/zinc/30/42/79/1076304279.db2.gz	BQQAUWMQVODSAV-CWAYHHJTSA-N	1	1	414.502	1.409	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@@H]21	ZINC001083148861	1076307670	/nfs/dbraw/zinc/30/76/70/1076307670.db2.gz	KOKYCVBTIKUAPH-ZHHZFAINSA-N	1	1	410.514	1.594	20	0		HDADMO
Cn1nc(Br)c2c1ncn(C[C@H](O)C[N@@H+](C)Cc1ccccc1)c2=O	ZINC000728065524	1076315209	/nfs/dbraw/zinc/31/52/09/1076315209.db2.gz	KTEFOVXDIZXTTO-CYBMUJFWSA-N	1	1	406.284	1.385	20	0		HDADMO
COc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1	ZINC001083151515	1076317202	/nfs/dbraw/zinc/31/72/02/1076317202.db2.gz	CSYMZUNJEXRDBF-OFOKGCAXSA-N	1	1	402.491	1.158	20	0		HDADMO
COc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1	ZINC001083151515	1076317205	/nfs/dbraw/zinc/31/72/05/1076317205.db2.gz	CSYMZUNJEXRDBF-OFOKGCAXSA-N	1	1	402.491	1.158	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000728052915	1076319908	/nfs/dbraw/zinc/31/99/08/1076319908.db2.gz	NESDJMXCJDUCAH-QGZVFWFLSA-N	1	1	419.547	1.899	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000728052915	1076319913	/nfs/dbraw/zinc/31/99/13/1076319913.db2.gz	NESDJMXCJDUCAH-QGZVFWFLSA-N	1	1	419.547	1.899	20	0		HDADMO
COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc(C(=O)OC)c1	ZINC000728053389	1076320766	/nfs/dbraw/zinc/32/07/66/1076320766.db2.gz	IURASCTXHHZQRH-UONOGXRCSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3OCCO3)C2)cc(C(=O)OC)c1	ZINC000728053389	1076320771	/nfs/dbraw/zinc/32/07/71/1076320771.db2.gz	IURASCTXHHZQRH-UONOGXRCSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@@H](C3OCCO3)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000728053445	1076320819	/nfs/dbraw/zinc/32/08/19/1076320819.db2.gz	KGPDMICSKZXDQR-VQIMIIECSA-N	1	1	415.490	1.895	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)NCc1ccccc1CN1CCCC1=O	ZINC000728054619	1076321562	/nfs/dbraw/zinc/32/15/62/1076321562.db2.gz	XSZRNOFBWXAZGG-LJQANCHMSA-N	1	1	401.507	1.510	20	0		HDADMO
C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C[C@@H]1CCCO1	ZINC000728054931	1076322101	/nfs/dbraw/zinc/32/21/01/1076322101.db2.gz	FIUXYEZFYAZQTF-HEUOVEHFSA-N	1	1	404.492	1.345	20	0		HDADMO
C[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C[C@@H]1CCCO1	ZINC000728054931	1076322105	/nfs/dbraw/zinc/32/21/05/1076322105.db2.gz	FIUXYEZFYAZQTF-HEUOVEHFSA-N	1	1	404.492	1.345	20	0		HDADMO
C[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@H]1CCCO1	ZINC000728055539	1076322694	/nfs/dbraw/zinc/32/26/94/1076322694.db2.gz	UDVCYUHFIHODKC-RNYZQXAPSA-N	1	1	407.536	1.242	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@H]1CCCO1	ZINC000728055539	1076322700	/nfs/dbraw/zinc/32/27/00/1076322700.db2.gz	UDVCYUHFIHODKC-RNYZQXAPSA-N	1	1	407.536	1.242	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000728070180	1076332354	/nfs/dbraw/zinc/33/23/54/1076332354.db2.gz	FIDSRZPNHOAPSD-VAISIZASSA-N	1	1	408.568	1.185	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000728072586	1076332603	/nfs/dbraw/zinc/33/26/03/1076332603.db2.gz	DVSNVBYBHUILKU-KGLIPLIRSA-N	1	1	422.448	1.209	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2cc[nH]c2=S)cc1	ZINC000728073962	1076333859	/nfs/dbraw/zinc/33/38/59/1076333859.db2.gz	ZNBTWPIEUROCJA-KRWDZBQOSA-N	1	1	401.536	1.834	20	0		HDADMO
Cc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1F	ZINC000728077465	1076334351	/nfs/dbraw/zinc/33/43/51/1076334351.db2.gz	JLEMOBAKKOVYKF-HOTGVXAUSA-N	1	1	404.486	1.191	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@H+]1CCC[C@H](C)C1	ZINC000728135403	1076340112	/nfs/dbraw/zinc/34/01/12/1076340112.db2.gz	IYRRKDRROCQSEI-JKSUJKDBSA-N	1	1	406.502	1.837	20	0		HDADMO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)O1	ZINC000728136014	1076340201	/nfs/dbraw/zinc/34/02/01/1076340201.db2.gz	SDQSLQUAIDOKDA-IYBDPMFKSA-N	1	1	422.501	1.216	20	0		HDADMO
COc1ccccc1COC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1	ZINC000028802430	1076361943	/nfs/dbraw/zinc/36/19/43/1076361943.db2.gz	NYLHIQJPXCUMBE-SFHVURJKSA-N	1	1	418.494	1.125	20	0		HDADMO
COc1cccc(COC[C@H](O)C[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)c1	ZINC000029642163	1076362955	/nfs/dbraw/zinc/36/29/55/1076362955.db2.gz	JXJSCQIOXRYSBX-GOSISDBHSA-N	1	1	418.494	1.125	20	0		HDADMO
Cc1c(-c2cc(C[N@@H+]3CC[C@@H]4CN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)[C@@H]4C3)on2)cnn1C	ZINC001084531410	1076368156	/nfs/dbraw/zinc/36/81/56/1076368156.db2.gz	JDTDOXNWFNGRDU-WHIIJZPHSA-N	1	1	423.517	1.840	20	0		HDADMO
Cc1c(-c2cc(C[N@H+]3CC[C@@H]4CN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)[C@@H]4C3)on2)cnn1C	ZINC001084531410	1076368166	/nfs/dbraw/zinc/36/81/66/1076368166.db2.gz	JDTDOXNWFNGRDU-WHIIJZPHSA-N	1	1	423.517	1.840	20	0		HDADMO
CCOc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)n1	ZINC001084539889	1076369772	/nfs/dbraw/zinc/36/97/72/1076369772.db2.gz	JRIJNBFUGGSVIB-HERIUZKZSA-N	1	1	401.507	1.565	20	0		HDADMO
CCOc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)n1	ZINC001084539889	1076369782	/nfs/dbraw/zinc/36/97/82/1076369782.db2.gz	JRIJNBFUGGSVIB-HERIUZKZSA-N	1	1	401.507	1.565	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CC[N@H+](CCOc3cccc(F)c3)C[C@H]21	ZINC001084540792	1076370965	/nfs/dbraw/zinc/37/09/65/1076370965.db2.gz	ZIEFKCIAHVXTRH-QFIDOLFYSA-N	1	1	404.482	1.789	20	0		HDADMO
COc1ccccc1C[NH+]1CCN(Cn2nnn(C3CCOCC3)c2=S)CC1	ZINC000729984615	1076407468	/nfs/dbraw/zinc/40/74/68/1076407468.db2.gz	ZCFXJVWJRFYGOG-UHFFFAOYSA-N	1	1	404.540	1.944	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)C1	ZINC000730036389	1076414145	/nfs/dbraw/zinc/41/41/45/1076414145.db2.gz	ROFLBKGELURHEY-QFBILLFUSA-N	1	1	402.495	1.411	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000730082975	1076430645	/nfs/dbraw/zinc/43/06/45/1076430645.db2.gz	CZLUBGDKYOMUOJ-UHFFFAOYSA-N	1	1	401.504	1.041	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CON=C(N)C[N@H+]1CCCC[C@H]1C)CC2	ZINC000730100437	1076453687	/nfs/dbraw/zinc/45/36/87/1076453687.db2.gz	ZCQHYQMAAXDRQJ-OAHLLOKOSA-N	1	1	404.511	1.961	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000730123970	1076464915	/nfs/dbraw/zinc/46/49/15/1076464915.db2.gz	AUTYELQFKACHAV-SQNIBIBYSA-N	1	1	411.591	1.957	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1	ZINC000730213839	1076478355	/nfs/dbraw/zinc/47/83/55/1076478355.db2.gz	NYMMWZDGWYYYQX-QGZVFWFLSA-N	1	1	416.497	1.191	20	0		HDADMO
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)n(C)c2)C1	ZINC000730216913	1076479143	/nfs/dbraw/zinc/47/91/43/1076479143.db2.gz	VZHYRHMWRPDODJ-IKGGRYGDSA-N	1	1	424.567	1.039	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1	ZINC000730218770	1076479984	/nfs/dbraw/zinc/47/99/84/1076479984.db2.gz	PLAYUBWAROUWLM-IBGZPJMESA-N	1	1	411.506	1.106	20	0		HDADMO
O=C(Cc1cnn(-c2ccccc2)n1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000730221049	1076481293	/nfs/dbraw/zinc/48/12/93/1076481293.db2.gz	WDCMGKSEVXTCJZ-UHFFFAOYSA-N	1	1	420.517	1.956	20	0		HDADMO
COC(=O)[C@H](C)C[N@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1	ZINC000730254044	1076499617	/nfs/dbraw/zinc/49/96/17/1076499617.db2.gz	KLRWGOSWXYMIGP-SPLOXXLWSA-N	1	1	403.479	1.779	20	0		HDADMO
COC(=O)[C@H](C)C[N@@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1	ZINC000730254044	1076499620	/nfs/dbraw/zinc/49/96/20/1076499620.db2.gz	KLRWGOSWXYMIGP-SPLOXXLWSA-N	1	1	403.479	1.779	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730263160	1076505239	/nfs/dbraw/zinc/50/52/39/1076505239.db2.gz	PRPLUJHIJWUNHD-SFHVURJKSA-N	1	1	424.586	1.986	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730263160	1076505250	/nfs/dbraw/zinc/50/52/50/1076505250.db2.gz	PRPLUJHIJWUNHD-SFHVURJKSA-N	1	1	424.586	1.986	20	0		HDADMO
C[NH+](C)CCN1C(=O)C[C@@H](N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O	ZINC000730272500	1076516918	/nfs/dbraw/zinc/51/69/18/1076516918.db2.gz	RGVAXHLHGKEOHE-ZWKOTPCHSA-N	1	1	422.570	1.787	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1	ZINC000730310875	1076525731	/nfs/dbraw/zinc/52/57/31/1076525731.db2.gz	MNNVKNMLUOSKNT-MAUKXSAKSA-N	1	1	405.520	1.356	20	0		HDADMO
COc1cccc([C@@H]2C[C@H]2C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1	ZINC000730350222	1076548065	/nfs/dbraw/zinc/54/80/65/1076548065.db2.gz	XPEIXZGIYZZFPE-SLFFLAALSA-N	1	1	404.507	1.815	20	0		HDADMO
COc1ccc2[nH]cc(C(=O)OCC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)c2c1	ZINC000730361091	1076550876	/nfs/dbraw/zinc/55/08/76/1076550876.db2.gz	GFLMHFOGDSKMAK-INIZCTEOSA-N	1	1	403.479	1.806	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000730381828	1076553231	/nfs/dbraw/zinc/55/32/31/1076553231.db2.gz	AAVGWNMXDZWBBS-IRXDYDNUSA-N	1	1	422.551	1.846	20	0		HDADMO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C[C@H](C)O1	ZINC000730385790	1076566210	/nfs/dbraw/zinc/56/62/10/1076566210.db2.gz	YPXFWVZLBRTVEZ-GASCZTMLSA-N	1	1	403.458	1.565	20	0		HDADMO
NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000730571456	1076606351	/nfs/dbraw/zinc/60/63/51/1076606351.db2.gz	RTRSGDKWLIYMLZ-YPMHNXCESA-N	1	1	412.339	1.238	20	0		HDADMO
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1	ZINC000730788235	1076658298	/nfs/dbraw/zinc/65/82/98/1076658298.db2.gz	XZVQUFWRFSFKMH-ZMPRRUGASA-N	1	1	416.522	1.841	20	0		HDADMO
NC(=O)C[NH+]1CCC(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1	ZINC000730830166	1076663865	/nfs/dbraw/zinc/66/38/65/1076663865.db2.gz	MVGFDPOGGYAZML-UHFFFAOYSA-N	1	1	412.828	1.538	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@H]1CCCOC1	ZINC000730808620	1076665151	/nfs/dbraw/zinc/66/51/51/1076665151.db2.gz	PHZQRGMNFAQXJC-YWMGUWEJSA-N	1	1	421.563	1.490	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@H]1CCCOC1	ZINC000730808615	1076665171	/nfs/dbraw/zinc/66/51/71/1076665171.db2.gz	PHZQRGMNFAQXJC-TXRMIHFUSA-N	1	1	421.563	1.490	20	0		HDADMO
CCOCC[N@@H+](CC)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000730808347	1076665380	/nfs/dbraw/zinc/66/53/80/1076665380.db2.gz	JCCBUVRNCJEPGY-YVLHZVERSA-N	1	1	409.552	1.490	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1	ZINC000730821083	1076670000	/nfs/dbraw/zinc/67/00/00/1076670000.db2.gz	WEJLNLRLIMJTQY-HNNXBMFYSA-N	1	1	402.417	1.248	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1=O	ZINC000730841774	1076671545	/nfs/dbraw/zinc/67/15/45/1076671545.db2.gz	MPODXQZMDYOCBV-OKZBNKHCSA-N	1	1	422.570	1.835	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1	ZINC000730935736	1076696378	/nfs/dbraw/zinc/69/63/78/1076696378.db2.gz	GVPKTVWYMYMVHM-HNNXBMFYSA-N	1	1	406.531	1.922	20	0		HDADMO
Cc1ccc(OCC(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000730939323	1076698657	/nfs/dbraw/zinc/69/86/57/1076698657.db2.gz	FKHOBIOVEKGFGI-UHFFFAOYSA-N	1	1	417.531	1.408	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000731018159	1076711924	/nfs/dbraw/zinc/71/19/24/1076711924.db2.gz	NDPBZERUCHUSNH-AWEZNQCLSA-N	1	1	415.943	1.479	20	0		HDADMO
COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000731039056	1076716862	/nfs/dbraw/zinc/71/68/62/1076716862.db2.gz	PPADCFMAQMWDDO-LZNQSLFOSA-N	1	1	412.508	1.510	20	0		HDADMO
NS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)sc1Br	ZINC000731223543	1076767566	/nfs/dbraw/zinc/76/75/66/1076767566.db2.gz	FPAFJZDZGPSDGY-MRVPVSSYSA-N	1	1	408.343	1.372	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCc1cc(=O)n(C)c(=O)n1C	ZINC000731256235	1076771496	/nfs/dbraw/zinc/77/14/96/1076771496.db2.gz	KZVTZEQPQKZNIR-INIZCTEOSA-N	1	1	415.490	1.694	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCc1cc(=O)n(C)c(=O)n1C	ZINC000731256236	1076771567	/nfs/dbraw/zinc/77/15/67/1076771567.db2.gz	KZVTZEQPQKZNIR-MRXNPFEDSA-N	1	1	415.490	1.694	20	0		HDADMO
Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1	ZINC001164668935	719375047	/nfs/dbraw/zinc/37/50/47/719375047.db2.gz	OWBFOXIBDGFGLF-ROUUACIJSA-N	1	1	413.503	1.496	20	0		HDADMO
CN1CCN(c2ccc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)nn2)CC1	ZINC001164690367	719757567	/nfs/dbraw/zinc/75/75/67/719757567.db2.gz	AZZITTFOBFINNK-KKSFZXQISA-N	1	1	413.501	1.422	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c(OC)cccc21	ZINC001164702680	719845308	/nfs/dbraw/zinc/84/53/08/719845308.db2.gz	OWBRSESURXIJOM-VFNWGFHPSA-N	1	1	400.479	1.871	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)C2	ZINC001164808572	720120675	/nfs/dbraw/zinc/12/06/75/720120675.db2.gz	FOFAWUBTMJDPQI-WDUKFBBWSA-N	1	1	400.527	1.438	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cnc1C(N)=O)CCC2	ZINC001164814921	720218971	/nfs/dbraw/zinc/21/89/71/720218971.db2.gz	ZZEIKTBWHADVLI-UHFFFAOYSA-N	1	1	405.890	1.036	20	0		HDADMO
CCOC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1C	ZINC001164813497	720221022	/nfs/dbraw/zinc/22/10/22/720221022.db2.gz	MZLUHKUYGNROIL-UHFFFAOYSA-N	1	1	414.510	1.769	20	0		HDADMO
CCOC(=O)c1nccnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164813510	720221548	/nfs/dbraw/zinc/22/15/48/720221548.db2.gz	NJGUJOGDAYMKKT-UHFFFAOYSA-N	1	1	400.483	1.461	20	0		HDADMO
CCOC(=O)c1cc(C)cc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1	ZINC001164716425	720225152	/nfs/dbraw/zinc/22/51/52/720225152.db2.gz	CNAZGGKNKUGQKY-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1cc(C)cc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1	ZINC001164716425	720225158	/nfs/dbraw/zinc/22/51/58/720225158.db2.gz	CNAZGGKNKUGQKY-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4ccc(F)cc43)C2)C1	ZINC001164720377	720229017	/nfs/dbraw/zinc/22/90/17/720229017.db2.gz	ZPNQHMRHGKXKKW-OAQYLSRUSA-N	1	1	401.486	1.742	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4ccc(F)cc43)C2)C1	ZINC001164720377	720229026	/nfs/dbraw/zinc/22/90/26/720229026.db2.gz	ZPNQHMRHGKXKKW-OAQYLSRUSA-N	1	1	401.486	1.742	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1NC(=O)CS3)CCC2	ZINC001164817037	720245018	/nfs/dbraw/zinc/24/50/18/720245018.db2.gz	OCGXUOZUBGKYDP-UHFFFAOYSA-N	1	1	415.523	1.328	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1	ZINC001164718990	720256644	/nfs/dbraw/zinc/25/66/44/720256644.db2.gz	JYXYJMSTMYSWHF-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1	ZINC001164718990	720256649	/nfs/dbraw/zinc/25/66/49/720256649.db2.gz	JYXYJMSTMYSWHF-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4nc(SC)sc43)C2)C1	ZINC001164721931	720270977	/nfs/dbraw/zinc/27/09/77/720270977.db2.gz	NCDHCNCQVDDHCJ-GOSISDBHSA-N	1	1	422.580	1.473	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4nc(SC)sc43)C2)C1	ZINC001164721931	720270984	/nfs/dbraw/zinc/27/09/84/720270984.db2.gz	NCDHCNCQVDDHCJ-GOSISDBHSA-N	1	1	422.580	1.473	20	0		HDADMO
CCOC(=O)c1nc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)ccc1Cl	ZINC001164720754	720275263	/nfs/dbraw/zinc/27/52/63/720275263.db2.gz	CYMDTAQBMGBOAR-FQEVSTJZSA-N	1	1	424.929	1.577	20	0		HDADMO
CCOC(=O)c1nc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ccc1Cl	ZINC001164720754	720275270	/nfs/dbraw/zinc/27/52/70/720275270.db2.gz	CYMDTAQBMGBOAR-FQEVSTJZSA-N	1	1	424.929	1.577	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3-c3nc(C)no3)C2)C1	ZINC001164720540	720286695	/nfs/dbraw/zinc/28/66/95/720286695.db2.gz	ANZQDFWCRYPWAU-HXUWFJFHSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3-c3nc(C)no3)C2)C1	ZINC001164720540	720286708	/nfs/dbraw/zinc/28/67/08/720286708.db2.gz	ANZQDFWCRYPWAU-HXUWFJFHSA-N	1	1	400.483	1.105	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3[nH]cnc32)CC1	ZINC001164818882	720290667	/nfs/dbraw/zinc/29/06/67/720290667.db2.gz	BHGYNFFUZYBPHW-UONOGXRCSA-N	1	1	403.918	1.918	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccccc4F)nn3)C2)C1	ZINC001164723279	720295800	/nfs/dbraw/zinc/29/58/00/720295800.db2.gz	VYMWLJHVVBTWTK-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccccc4F)nn3)C2)C1	ZINC001164723279	720295808	/nfs/dbraw/zinc/29/58/08/720295808.db2.gz	VYMWLJHVVBTWTK-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccn4)nc(C)c3C)C2)C1	ZINC001164722193	720296232	/nfs/dbraw/zinc/29/62/32/720296232.db2.gz	OPHOXNSLPNHBHJ-HSZRJFAPSA-N	1	1	424.549	1.820	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccn4)nc(C)c3C)C2)C1	ZINC001164722193	720296238	/nfs/dbraw/zinc/29/62/38/720296238.db2.gz	OPHOXNSLPNHBHJ-HSZRJFAPSA-N	1	1	424.549	1.820	20	0		HDADMO
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccc(C[N@@H+](C)C3CC3)cn2)O1	ZINC001164723073	720323644	/nfs/dbraw/zinc/32/36/44/720323644.db2.gz	GWKOYFPXKYGLJS-XUVXKRRUSA-N	1	1	402.539	1.907	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2n[nH]c(Cl)c3ncnc2-3)CC1	ZINC001164823329	720326591	/nfs/dbraw/zinc/32/65/91/720326591.db2.gz	AOWYVOAGAPRLIA-KBPBESRZSA-N	1	1	403.918	1.918	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(N3CCOCC3)n2)CC1	ZINC001164823237	720331216	/nfs/dbraw/zinc/33/12/16/720331216.db2.gz	ABAJKZPGNLEMKB-VQTJNVASSA-N	1	1	413.566	1.830	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3S(N)(=O)=O)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164834939	720514694	/nfs/dbraw/zinc/51/46/94/720514694.db2.gz	INLFEXSBGPMMPB-YESZJQIVSA-N	1	1	404.540	1.303	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cnc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164842449	720529041	/nfs/dbraw/zinc/52/90/41/720529041.db2.gz	XKXPXNNJTUKBIW-QLFBSQMISA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc4nc[nH]c4c(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164835447	720561343	/nfs/dbraw/zinc/56/13/43/720561343.db2.gz	HJMRCEBCMMVVQP-IXDOHACOSA-N	1	1	409.542	1.993	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(S(N)(=O)=O)ccn3)CC[C@@H]21	ZINC001164841585	720625281	/nfs/dbraw/zinc/62/52/81/720625281.db2.gz	TXGVQGQCTBNBJR-BQFCYCMXSA-N	1	1	404.540	1.303	20	0		HDADMO
COC(=O)c1ccc2cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2c1	ZINC001164744975	720635532	/nfs/dbraw/zinc/63/55/32/720635532.db2.gz	SUKWNPRGQMBZFZ-DLBZAZTESA-N	1	1	406.446	1.548	20	0		HDADMO
Clc1cc(C2CC[NH2+]CC2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164739622	720662741	/nfs/dbraw/zinc/66/27/41/720662741.db2.gz	OHGYRCVMOBFEPT-HOTGVXAUSA-N	1	1	415.929	1.729	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164736661	720697945	/nfs/dbraw/zinc/69/79/45/720697945.db2.gz	AHNHTPDVGVVWDA-DLBZAZTESA-N	1	1	420.473	1.938	20	0		HDADMO
Clc1ncc(N2CCOCC2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164741992	720701095	/nfs/dbraw/zinc/70/10/95/720701095.db2.gz	VDHHAMCECQPCCK-HUUCEWRRSA-N	1	1	417.901	1.099	20	0		HDADMO
CON(C)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164737601	720706121	/nfs/dbraw/zinc/70/61/21/720706121.db2.gz	GNDVMCGPMIGJMX-LSDHHAIUSA-N	1	1	418.885	1.500	20	0		HDADMO
COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743453	720747429	/nfs/dbraw/zinc/74/74/29/720747429.db2.gz	QFGNYIQZTLZKRY-NWDGAFQWSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743453	720747437	/nfs/dbraw/zinc/74/74/37/720747437.db2.gz	QFGNYIQZTLZKRY-NWDGAFQWSA-N	1	1	412.828	1.815	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739026	720748054	/nfs/dbraw/zinc/74/80/54/720748054.db2.gz	HRZOOKHZVAHRLW-NEPJUHHUSA-N	1	1	424.839	1.511	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739026	720748059	/nfs/dbraw/zinc/74/80/59/720748059.db2.gz	HRZOOKHZVAHRLW-NEPJUHHUSA-N	1	1	424.839	1.511	20	0		HDADMO
FC(F)(COc1cncc(Cl)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164738994	720771678	/nfs/dbraw/zinc/77/16/78/720771678.db2.gz	HIBNSKJMADSHGN-QWHCGFSZSA-N	1	1	412.828	1.729	20	0		HDADMO
O=C(NC1CCCC1)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1	ZINC001164737446	720782405	/nfs/dbraw/zinc/78/24/05/720782405.db2.gz	BKCVMYRBNJFAGR-DLBZAZTESA-N	1	1	409.494	1.281	20	0		HDADMO
NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164744156	720814368	/nfs/dbraw/zinc/81/43/68/720814368.db2.gz	HLUZGXPSOPLWJE-UWWQBHOKSA-N	1	1	415.929	1.805	20	0		HDADMO
O=C1COc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2N1	ZINC001164737718	720830349	/nfs/dbraw/zinc/83/03/49/720830349.db2.gz	CGTJOVAJENAXNO-BRWVUGGUSA-N	1	1	409.494	1.383	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164743058	720835027	/nfs/dbraw/zinc/83/50/27/720835027.db2.gz	IJIXMWDKWHQEBH-SOUVJXGZSA-N	1	1	416.917	1.200	20	0		HDADMO
CCn1cnc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164746612	720847682	/nfs/dbraw/zinc/84/76/82/720847682.db2.gz	PNFDKWOHOCMGFH-OKZBNKHCSA-N	1	1	407.526	1.817	20	0		HDADMO
c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(-n5cncn5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164742536	720851123	/nfs/dbraw/zinc/85/11/23/720851123.db2.gz	HHHPVABZLNSRMJ-OKZBNKHCSA-N	1	1	406.498	1.028	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1	ZINC001164851600	720853971	/nfs/dbraw/zinc/85/39/71/720853971.db2.gz	BFHZSGKIPWMSEV-IEBWSBKVSA-N	1	1	414.506	1.980	20	0		HDADMO
COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c1ccn2C	ZINC001164744035	720858456	/nfs/dbraw/zinc/85/84/56/720858456.db2.gz	BHEUPBGBMOXCHG-ZHALLVOQSA-N	1	1	422.537	1.948	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC)cc(OC)c43)CC[C@H]2C1	ZINC001164851572	720859536	/nfs/dbraw/zinc/85/95/36/720859536.db2.gz	BBBZIIXMOAJUKD-HNAYVOBHSA-N	1	1	402.495	1.821	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc4cnccc4cc3C(=O)OC)CC[C@H]2C1	ZINC001164859543	720859634	/nfs/dbraw/zinc/85/96/34/720859634.db2.gz	UHCSHYDZKVWXGK-QFBILLFUSA-N	1	1	400.479	1.590	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)[nH]c-2n1	ZINC001164853596	720866495	/nfs/dbraw/zinc/86/64/95/720866495.db2.gz	HVACNGXTFIMSSI-AEFFLSMTSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)nc2[nH]1	ZINC001164853596	720866496	/nfs/dbraw/zinc/86/64/96/720866496.db2.gz	HVACNGXTFIMSSI-AEFFLSMTSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)nc2[nH]1	ZINC001164853596	720866499	/nfs/dbraw/zinc/86/64/99/720866499.db2.gz	HVACNGXTFIMSSI-AEFFLSMTSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164853017	720869817	/nfs/dbraw/zinc/86/98/17/720869817.db2.gz	GAZXNACVPOBKPT-WBVHZDCISA-N	1	1	417.510	1.319	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)CC[C@@H]2C1	ZINC001164855291	720884927	/nfs/dbraw/zinc/88/49/27/720884927.db2.gz	GPIJUTCDVIXENH-NEPJUHHUSA-N	1	1	413.309	1.900	20	0		HDADMO
CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)cc2C1	ZINC001164858565	720891632	/nfs/dbraw/zinc/89/16/32/720891632.db2.gz	LDQCIKSNLKMZJE-FUHIMQAGSA-N	1	1	418.538	1.318	20	0		HDADMO
COc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(S(C)(=O)=O)n1	ZINC001164859286	720964818	/nfs/dbraw/zinc/96/48/18/720964818.db2.gz	MEMMJWXHBPSIKH-CYBMUJFWSA-N	1	1	408.528	1.507	20	0		HDADMO
CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]12	ZINC001164758960	721000402	/nfs/dbraw/zinc/00/04/02/721000402.db2.gz	XRUOFWGCZYLYLJ-UXPWSPDFSA-N	1	1	417.554	1.667	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1	ZINC001164863436	721033124	/nfs/dbraw/zinc/03/31/24/721033124.db2.gz	SSTGUFWETRUDTO-UHFFFAOYSA-N	1	1	421.839	1.883	20	0		HDADMO
c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CC[N@H+]3C2)c1	ZINC001164867981	721051311	/nfs/dbraw/zinc/05/13/11/721051311.db2.gz	LPJWOBLYAXYPKB-YADHBBJMSA-N	1	1	409.534	1.789	20	0		HDADMO
Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CCNC2	ZINC001164865854	721058640	/nfs/dbraw/zinc/05/86/40/721058640.db2.gz	APAGUGFJMNNBPW-JKSUJKDBSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CCNC2	ZINC001164865854	721058647	/nfs/dbraw/zinc/05/86/47/721058647.db2.gz	APAGUGFJMNNBPW-JKSUJKDBSA-N	1	1	400.914	1.650	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)C[C@H]3C2)cn1	ZINC001164770970	721093979	/nfs/dbraw/zinc/09/39/79/721093979.db2.gz	QPKTUZHRRHDHRO-JKSUJKDBSA-N	1	1	418.933	1.053	20	0		HDADMO
NC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865118	721099892	/nfs/dbraw/zinc/09/98/92/721099892.db2.gz	IMODBDSSEIZNAJ-CHWSQXEVSA-N	1	1	423.304	1.757	20	0		HDADMO
CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164872767	721123886	/nfs/dbraw/zinc/12/38/86/721123886.db2.gz	IHCONHBMTZAPIA-RBUKOAKNSA-N	1	1	411.506	1.898	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001164879422	721141252	/nfs/dbraw/zinc/14/12/52/721141252.db2.gz	RZWUXPYBYHWKDP-ROUUACIJSA-N	1	1	417.535	1.255	20	0		HDADMO
COC(=O)CSc1cncc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164879885	721163462	/nfs/dbraw/zinc/16/34/62/721163462.db2.gz	UYPNALMRWUPYMP-SJORKVTESA-N	1	1	415.519	1.616	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@H]3C2)cn1	ZINC001164764311	721165169	/nfs/dbraw/zinc/16/51/69/721165169.db2.gz	GZZSIYOBHSYUJQ-RTBURBONSA-N	1	1	408.506	1.422	20	0		HDADMO
COC(=O)c1cc2cnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2n1C	ZINC001164764321	721188399	/nfs/dbraw/zinc/18/83/99/721188399.db2.gz	HALPKYGAFXQTBN-WBVHZDCISA-N	1	1	409.494	1.447	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164867830	721188739	/nfs/dbraw/zinc/18/87/39/721188739.db2.gz	IIXLULNQAFGNMF-LSDHHAIUSA-N	1	1	402.886	1.364	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4[nH]cc(F)c43)CC2)C1	ZINC001164878913	721261142	/nfs/dbraw/zinc/26/11/42/721261142.db2.gz	WASJWMQXBGDEPN-UHFFFAOYSA-N	1	1	424.908	1.757	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)ncc3Cl)CC2)C1	ZINC001164878338	721261811	/nfs/dbraw/zinc/26/18/11/721261811.db2.gz	UMXPMPMWGBKDDS-UHFFFAOYSA-N	1	1	402.326	1.790	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4cccnc43)CC2)C1	ZINC001164870409	721266418	/nfs/dbraw/zinc/26/64/18/721266418.db2.gz	XXGRUTZPUYXOOJ-UHFFFAOYSA-N	1	1	418.929	1.685	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cncc(Cl)n3)CC2)C1	ZINC001164872894	721280274	/nfs/dbraw/zinc/28/02/74/721280274.db2.gz	HODWYUDXHCKBCZ-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC2(C1)CC[N@@H+](CC1CC1)C2	ZINC001164774053	721291435	/nfs/dbraw/zinc/29/14/35/721291435.db2.gz	WCKHJTBNLOGGOI-UHFFFAOYSA-N	1	1	404.902	1.965	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)n2)CC1	ZINC001164880307	721319171	/nfs/dbraw/zinc/31/91/71/721319171.db2.gz	XBZBGQCMKIXAOS-IBGZPJMESA-N	1	1	406.534	1.729	20	0		HDADMO
COC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1	ZINC001164776290	721336572	/nfs/dbraw/zinc/33/65/72/721336572.db2.gz	DLFCJIPTSXADJD-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1	ZINC001164776290	721336573	/nfs/dbraw/zinc/33/65/73/721336573.db2.gz	DLFCJIPTSXADJD-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(N)=O)nn3)C2)C1	ZINC001164778596	721339041	/nfs/dbraw/zinc/33/90/41/721339041.db2.gz	NJLNPMYGARUOQQ-FQEVSTJZSA-N	1	1	400.483	1.299	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(N)=O)nn3)C2)C1	ZINC001164778596	721339044	/nfs/dbraw/zinc/33/90/44/721339044.db2.gz	NJLNPMYGARUOQQ-FQEVSTJZSA-N	1	1	400.483	1.299	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1	ZINC001164886765	721382392	/nfs/dbraw/zinc/38/23/92/721382392.db2.gz	GDXNILMHEHFHIL-AUUYWEPGSA-N	1	1	405.934	1.772	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164894084	721383819	/nfs/dbraw/zinc/38/38/19/721383819.db2.gz	XMAAWVFSDJIBOX-QRWLVFNGSA-N	1	1	423.945	1.682	20	0		HDADMO
COC(=O)c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1C(=O)OC	ZINC001164785112	721394979	/nfs/dbraw/zinc/39/49/79/721394979.db2.gz	KZXSETASWYDHPJ-CHWSQXEVSA-N	1	1	402.476	1.680	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1N	ZINC001164889840	721399714	/nfs/dbraw/zinc/39/97/14/721399714.db2.gz	MPDBRSRTZMGERB-HRAATJIYSA-N	1	1	403.527	1.216	20	0		HDADMO
Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164892007	721402201	/nfs/dbraw/zinc/40/22/01/721402201.db2.gz	XWQMVMXIRSMKTP-YWZLYKJASA-N	1	1	419.961	1.782	20	0		HDADMO
COC(=O)Cc1cccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164886502	721407239	/nfs/dbraw/zinc/40/72/39/721407239.db2.gz	JFCKKXDYSCHOSG-UGKGYDQZSA-N	1	1	402.539	1.563	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164890626	721412549	/nfs/dbraw/zinc/41/25/49/721412549.db2.gz	UESUXOJRGBNNGK-OFNKIYASSA-N	1	1	416.566	1.953	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164890622	721412600	/nfs/dbraw/zinc/41/26/00/721412600.db2.gz	UESUXOJRGBNNGK-NZQKXSOJSA-N	1	1	416.566	1.953	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc21	ZINC001164889502	721413691	/nfs/dbraw/zinc/41/36/91/721413691.db2.gz	RFELGAUCYPNDJT-AUSIDOKSSA-N	1	1	411.550	1.699	20	0		HDADMO
CN(C)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164884625	721415517	/nfs/dbraw/zinc/41/55/17/721415517.db2.gz	FGQWICROAZQFJP-JXFKEZNVSA-N	1	1	408.978	1.961	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1C	ZINC001164884464	721419606	/nfs/dbraw/zinc/41/96/06/721419606.db2.gz	DHINTFDDAYVTJO-PGRDOPGGSA-N	1	1	402.539	1.942	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4NC(=O)CS5)C3)O2)CC1	ZINC001164892027	721450839	/nfs/dbraw/zinc/45/08/39/721450839.db2.gz	VUFWCIVKGIWBSQ-MGPUTAFESA-N	1	1	418.567	1.286	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(N)=O)cn1)CC2	ZINC001164785926	721455350	/nfs/dbraw/zinc/45/53/50/721455350.db2.gz	IQDVFXJYAGUMBY-LJQANCHMSA-N	1	1	402.539	1.914	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(C[C@H](C(=O)NC5CCC5)CO4)CC3)n2)CC1	ZINC001164900444	721490872	/nfs/dbraw/zinc/49/08/72/721490872.db2.gz	PSKHFFNAUUMPLH-KRWDZBQOSA-N	1	1	414.554	1.273	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@@H]2CCCO[C@H]12	ZINC001164801216	721573962	/nfs/dbraw/zinc/57/39/62/721573962.db2.gz	GLKIAVYSKDCRDE-NUJGCVRESA-N	1	1	408.506	1.970	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@@H]2CCCO[C@H]12	ZINC001164801216	721573963	/nfs/dbraw/zinc/57/39/63/721573963.db2.gz	GLKIAVYSKDCRDE-NUJGCVRESA-N	1	1	408.506	1.970	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC[C@]4(CCN(c5cncnc5)C4=O)C3)n2)CC1	ZINC001165015876	721785569	/nfs/dbraw/zinc/78/55/69/721785569.db2.gz	ASFYRWVJASIVHG-NRFANRHFSA-N	1	1	408.510	1.042	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cn3)C[C@H]21	ZINC001165028877	721809291	/nfs/dbraw/zinc/80/92/91/721809291.db2.gz	XXFFKNIRRKXXJQ-ATZDWAIDSA-N	1	1	401.536	1.861	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc21	ZINC001165020816	721816230	/nfs/dbraw/zinc/81/62/30/721816230.db2.gz	DIZUJCDTCAEFQP-VDZJLULYSA-N	1	1	407.522	1.997	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1	ZINC001164925762	721852836	/nfs/dbraw/zinc/85/28/36/721852836.db2.gz	FYUXFCJCURCQLU-DLBZAZTESA-N	1	1	402.568	1.743	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1	ZINC001164925762	721852837	/nfs/dbraw/zinc/85/28/37/721852837.db2.gz	FYUXFCJCURCQLU-DLBZAZTESA-N	1	1	402.568	1.743	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)CC1	ZINC001164922701	721870210	/nfs/dbraw/zinc/87/02/10/721870210.db2.gz	HSZLBBJQXMMAOV-ROUUACIJSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)CC1	ZINC001164922701	721870212	/nfs/dbraw/zinc/87/02/12/721870212.db2.gz	HSZLBBJQXMMAOV-ROUUACIJSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)CC1	ZINC001164922703	721870554	/nfs/dbraw/zinc/87/05/54/721870554.db2.gz	HSZLBBJQXMMAOV-ZWKOTPCHSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)CC1	ZINC001164922703	721870557	/nfs/dbraw/zinc/87/05/57/721870557.db2.gz	HSZLBBJQXMMAOV-ZWKOTPCHSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@H]2OCC[N@@H+](Cc3c(C)noc3C)[C@@H]2C1	ZINC001164944002	721938163	/nfs/dbraw/zinc/93/81/63/721938163.db2.gz	QSHLKWBSUNLMLB-IAGOWNOFSA-N	1	1	412.450	1.391	20	0		HDADMO
CS(=O)(=O)c1nc2c(c(N3CCCC[C@H]3CCN3CCCC3)n1)CC[NH2+]CC2	ZINC001165048273	721964911	/nfs/dbraw/zinc/96/49/11/721964911.db2.gz	YBTLXZCYXLFHNN-INIZCTEOSA-N	1	1	407.584	1.413	20	0		HDADMO
CN(C)Cc1ccnc(N(C[C@@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1	ZINC001164952398	721991265	/nfs/dbraw/zinc/99/12/65/721991265.db2.gz	PIUYLWQPYFFZKI-PXNSSMCTSA-N	1	1	408.568	1.743	20	0		HDADMO
NC(=O)c1nc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164964970	722057237	/nfs/dbraw/zinc/05/72/37/722057237.db2.gz	ZNKOROAOLYCPHR-UHFFFAOYSA-N	1	1	416.913	1.743	20	0		HDADMO
NS(=O)(=O)c1cccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1	ZINC001164965248	722062498	/nfs/dbraw/zinc/06/24/98/722062498.db2.gz	JUXUAYUMFMGXFO-UHFFFAOYSA-N	1	1	417.535	1.243	20	0		HDADMO
CN1CCN(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1	ZINC001164978369	722102055	/nfs/dbraw/zinc/10/20/55/722102055.db2.gz	GTATXHBIQMTXIR-RTWAWAEBSA-N	1	1	423.565	1.351	20	0		HDADMO
CN1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1	ZINC001164978369	722102056	/nfs/dbraw/zinc/10/20/56/722102056.db2.gz	GTATXHBIQMTXIR-RTWAWAEBSA-N	1	1	423.565	1.351	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl	ZINC001164983414	722103066	/nfs/dbraw/zinc/10/30/66/722103066.db2.gz	QAKOZIZJNWPUOO-CRAIPNDOSA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164980116	722104333	/nfs/dbraw/zinc/10/43/33/722104333.db2.gz	JPMYNCPRRXVBGR-QFBILLFUSA-N	1	1	422.489	1.818	20	0		HDADMO
Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCNC2	ZINC001164984763	722104681	/nfs/dbraw/zinc/10/46/81/722104681.db2.gz	UWYFRSXLZVDEJG-LPHOPBHVSA-N	1	1	414.941	1.898	20	0		HDADMO
Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCNC2	ZINC001164984763	722104683	/nfs/dbraw/zinc/10/46/83/722104683.db2.gz	UWYFRSXLZVDEJG-LPHOPBHVSA-N	1	1	414.941	1.898	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164978200	722108721	/nfs/dbraw/zinc/10/87/21/722108721.db2.gz	NUNHYSQRMVVIOL-PXNSSMCTSA-N	1	1	412.490	1.999	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164982038	722133394	/nfs/dbraw/zinc/13/33/94/722133394.db2.gz	QUQLBFWLPGSIGC-ICSRJNTNSA-N	1	1	411.506	1.837	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)C(=O)NC2=O	ZINC001164984639	722138291	/nfs/dbraw/zinc/13/82/91/722138291.db2.gz	YDCBNYHKGJYLMU-AEFFLSMTSA-N	1	1	407.474	1.396	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(CN4CCOCC4)cn2)CC3)CC1	ZINC001164998057	722229411	/nfs/dbraw/zinc/22/94/11/722229411.db2.gz	VMFIJGUKVYKUBN-UHFFFAOYSA-N	1	1	423.565	1.061	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4cnccc42)CC3)CC1	ZINC001164997695	722231642	/nfs/dbraw/zinc/23/16/42/722231642.db2.gz	SUAPQXROXIGGHX-UHFFFAOYSA-N	1	1	410.913	1.825	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc21	ZINC001164997740	722233730	/nfs/dbraw/zinc/23/37/30/722233730.db2.gz	UQYZPCDTSDQTDM-UHFFFAOYSA-N	1	1	405.506	1.081	20	0		HDADMO
CCOCc1cnc(Cl)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001165002333	722236362	/nfs/dbraw/zinc/23/63/62/722236362.db2.gz	URPASSNLWXLMQT-UHFFFAOYSA-N	1	1	417.945	1.814	20	0		HDADMO
CCCNC(=O)c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001165001216	722237328	/nfs/dbraw/zinc/23/73/28/722237328.db2.gz	DJIXEBQDQLKORZ-UHFFFAOYSA-N	1	1	409.538	1.368	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN([C@H](F)Oc2ccc(Cl)nn2)CC3)CC1	ZINC001165005667	722240339	/nfs/dbraw/zinc/24/03/39/722240339.db2.gz	VPLPKIBRHBZZIH-SFHVURJKSA-N	1	1	407.881	1.405	20	0		HDADMO
C[NH+](C)CCOCc1ncn2c1CN(c1cccc(N3CCOCC3)n1)CCC2	ZINC001165002536	722255135	/nfs/dbraw/zinc/25/51/35/722255135.db2.gz	PFIWAUJWRJRZJD-UHFFFAOYSA-N	1	1	400.527	1.603	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000429049280	1073469196	/nfs/dbraw/zinc/46/91/96/1073469196.db2.gz	UMUKNXZUYGINAD-FGZHOGPDSA-N	1	1	416.566	1.641	20	0		HDADMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000429049280	1073469200	/nfs/dbraw/zinc/46/92/00/1073469200.db2.gz	UMUKNXZUYGINAD-FGZHOGPDSA-N	1	1	416.566	1.641	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1	ZINC001299281565	1073492600	/nfs/dbraw/zinc/49/26/00/1073492600.db2.gz	OUXLLICOFQLVEB-SJORKVTESA-N	1	1	410.559	1.691	20	0		HDADMO
CC(=O)N[C@@](C)(C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccc(S(C)(=O)=O)cc1	ZINC001299281579	1073493152	/nfs/dbraw/zinc/49/31/52/1073493152.db2.gz	PJVTWBBNWDVTLK-FXAWDEMLSA-N	1	1	409.552	1.383	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1	ZINC000473121807	1073504257	/nfs/dbraw/zinc/50/42/57/1073504257.db2.gz	GWLQPSFEBBJMAO-UHFFFAOYSA-N	1	1	411.568	1.949	20	0		HDADMO
C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1	ZINC000509097348	1073521600	/nfs/dbraw/zinc/52/16/00/1073521600.db2.gz	JMKBSUTXVRQGFJ-BPAFIMBUSA-N	1	1	421.973	1.795	20	0		HDADMO
C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]24CCC[C@H]2OCC4)C3)no1	ZINC001004678345	1073524986	/nfs/dbraw/zinc/52/49/86/1073524986.db2.gz	ITSXMHJQUNKHQI-QSOFNFLRSA-N	1	1	402.495	1.557	20	0		HDADMO
O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625189524	1073556840	/nfs/dbraw/zinc/55/68/40/1073556840.db2.gz	MMYZGLGGKMWIBH-INIZCTEOSA-N	1	1	413.478	1.159	20	0		HDADMO
C[C@]1(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O	ZINC000673654758	1073580257	/nfs/dbraw/zinc/58/02/57/1073580257.db2.gz	CNLACNQDXHMRKL-PGRDOPGGSA-N	1	1	407.474	1.417	20	0		HDADMO
C[C@]1(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O	ZINC000673654758	1073580270	/nfs/dbraw/zinc/58/02/70/1073580270.db2.gz	CNLACNQDXHMRKL-PGRDOPGGSA-N	1	1	407.474	1.417	20	0		HDADMO
CCOC(=O)C1CCN(S(=O)(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1	ZINC000028059701	1073591983	/nfs/dbraw/zinc/59/19/83/1073591983.db2.gz	RIKZHLRXGBXITK-UHFFFAOYSA-N	1	1	423.579	1.933	20	0		HDADMO
NC(=O)C1CCN(c2ncccc2CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673658972	1073610183	/nfs/dbraw/zinc/61/01/83/1073610183.db2.gz	FOBYIATWNHJILX-HXUWFJFHSA-N	1	1	422.533	1.459	20	0		HDADMO
NC(=O)C1CCN(c2ncccc2CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673658972	1073610198	/nfs/dbraw/zinc/61/01/98/1073610198.db2.gz	FOBYIATWNHJILX-HXUWFJFHSA-N	1	1	422.533	1.459	20	0		HDADMO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673675372	1073630975	/nfs/dbraw/zinc/63/09/75/1073630975.db2.gz	NFECARCDHAXASX-PZJWPPBQSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673675372	1073630979	/nfs/dbraw/zinc/63/09/79/1073630979.db2.gz	NFECARCDHAXASX-PZJWPPBQSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCN1Cc1ccccn1	ZINC000673675372	1073630982	/nfs/dbraw/zinc/63/09/82/1073630982.db2.gz	NFECARCDHAXASX-PZJWPPBQSA-N	1	1	408.550	1.768	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1	ZINC000673715446	1073654307	/nfs/dbraw/zinc/65/43/07/1073654307.db2.gz	VVXAIADLRKKQNQ-FQEVSTJZSA-N	1	1	410.518	1.373	20	0		HDADMO
O=C(Cc1ccc(O)cc1Cl)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000509126638	1073657616	/nfs/dbraw/zinc/65/76/16/1073657616.db2.gz	BFFRIUVOWSSIGA-UHFFFAOYSA-N	1	1	423.941	1.665	20	0		HDADMO
C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CC2)CCO1	ZINC000509130698	1073671730	/nfs/dbraw/zinc/67/17/30/1073671730.db2.gz	ZYZDIHADJLTYBQ-YLJYHZDGSA-N	1	1	403.523	1.328	20	0		HDADMO
CCN(C(=O)CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000673759020	1073698890	/nfs/dbraw/zinc/69/88/90/1073698890.db2.gz	WKWNKGQOMDUJCB-AZUAARDMSA-N	1	1	407.580	1.618	20	0		HDADMO
CCN(C(=O)CN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000673759020	1073698901	/nfs/dbraw/zinc/69/89/01/1073698901.db2.gz	WKWNKGQOMDUJCB-AZUAARDMSA-N	1	1	407.580	1.618	20	0		HDADMO
C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C[NH+]1CCOCC1	ZINC000509144492	1073720041	/nfs/dbraw/zinc/72/00/41/1073720041.db2.gz	YSQQIECZMRLMHH-BJZITVGISA-N	1	1	408.930	1.879	20	0		HDADMO
Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)nc12	ZINC000673786904	1073740757	/nfs/dbraw/zinc/74/07/57/1073740757.db2.gz	KPLRQIJFPNIJRL-UHFFFAOYSA-N	1	1	422.489	1.440	20	0		HDADMO
C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)[N@@H+](C)Cc1ccccc1	ZINC000673789218	1073744248	/nfs/dbraw/zinc/74/42/48/1073744248.db2.gz	QFDICPUXMCUCEA-OAHLLOKOSA-N	1	1	410.474	1.983	20	0		HDADMO
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000509148714	1073749043	/nfs/dbraw/zinc/74/90/43/1073749043.db2.gz	CETKNOBJNABVSW-UEXGIBASSA-N	1	1	405.539	1.774	20	0		HDADMO
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000509148714	1073749049	/nfs/dbraw/zinc/74/90/49/1073749049.db2.gz	CETKNOBJNABVSW-UEXGIBASSA-N	1	1	405.539	1.774	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1	ZINC000429137056	1073750782	/nfs/dbraw/zinc/75/07/82/1073750782.db2.gz	AXPUVJHXHZFUGH-LPHOPBHVSA-N	1	1	408.568	1.620	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)C1	ZINC000673816391	1073760870	/nfs/dbraw/zinc/76/08/70/1073760870.db2.gz	CYPVJBWJCRRFRY-PKOBYXMFSA-N	1	1	408.506	1.781	20	0		HDADMO
CC(C)c1nc(S(=O)(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c[nH]1	ZINC000673821966	1073767251	/nfs/dbraw/zinc/76/72/51/1073767251.db2.gz	XXZAMUQGNGGSMC-KRWDZBQOSA-N	1	1	419.551	1.709	20	0		HDADMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CS(=O)(=O)CCO1	ZINC000509154486	1073774972	/nfs/dbraw/zinc/77/49/72/1073774972.db2.gz	RKEUTCUEDAPBJM-OALUTQOASA-N	1	1	409.552	1.354	20	0		HDADMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](CCCO)c1ccccc1	ZINC000509157434	1073785044	/nfs/dbraw/zinc/78/50/44/1073785044.db2.gz	VUFWJWMUWQMVCS-XLIONFOSSA-N	1	1	403.523	1.328	20	0		HDADMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](CCCO)c1ccccc1	ZINC000509157435	1073785136	/nfs/dbraw/zinc/78/51/36/1073785136.db2.gz	VUFWJWMUWQMVCS-YLJYHZDGSA-N	1	1	403.523	1.328	20	0		HDADMO
C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@H+]1CC(C)(C)O	ZINC000429151571	1073787936	/nfs/dbraw/zinc/78/79/36/1073787936.db2.gz	SLUDMLVVAKUYOX-ZDUSSCGKSA-N	1	1	417.959	1.730	20	0		HDADMO
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000429153240	1073793639	/nfs/dbraw/zinc/79/36/39/1073793639.db2.gz	CMAIJRXCNZYSEE-CYBMUJFWSA-N	1	1	402.417	1.817	20	0		HDADMO
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000429153240	1073793649	/nfs/dbraw/zinc/79/36/49/1073793649.db2.gz	CMAIJRXCNZYSEE-CYBMUJFWSA-N	1	1	402.417	1.817	20	0		HDADMO
NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C1CCOCC1	ZINC000543489808	1073798004	/nfs/dbraw/zinc/79/80/04/1073798004.db2.gz	HNAVSSKPHIVQOD-ZDUSSCGKSA-N	1	1	413.400	1.780	20	0		HDADMO
NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C1CCOCC1	ZINC000543489797	1073798049	/nfs/dbraw/zinc/79/80/49/1073798049.db2.gz	HNAVSSKPHIVQOD-CYBMUJFWSA-N	1	1	413.400	1.780	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1	ZINC000670424002	1073830429	/nfs/dbraw/zinc/83/04/29/1073830429.db2.gz	FGWRTLNCFZMYJF-HXUWFJFHSA-N	1	1	423.561	1.973	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@@H](C)[C@H](OC)C1	ZINC000466545655	1073838849	/nfs/dbraw/zinc/83/88/49/1073838849.db2.gz	PHDCOHWKLUUEMO-DNVCBOLYSA-N	1	1	404.511	1.972	20	0		HDADMO
CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673878008	1073850485	/nfs/dbraw/zinc/85/04/85/1073850485.db2.gz	CTRNOSRZFPXLSX-INIZCTEOSA-N	1	1	407.584	1.570	20	0		HDADMO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC1	ZINC000673905922	1073878902	/nfs/dbraw/zinc/87/89/02/1073878902.db2.gz	OPOPOIFWIBWALN-UHFFFAOYSA-N	1	1	411.568	1.374	20	0		HDADMO
CCOC[C@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000673916047	1073888225	/nfs/dbraw/zinc/88/82/25/1073888225.db2.gz	UFFBXCDEXHZPHK-SFHVURJKSA-N	1	1	417.554	1.787	20	0		HDADMO
O=C(c1nc2n(n1)CCCN2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000673920394	1073891695	/nfs/dbraw/zinc/89/16/95/1073891695.db2.gz	CWVIZXRWKMNBDW-UHFFFAOYSA-N	1	1	402.502	1.899	20	0		HDADMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1Cl	ZINC000673929296	1073899745	/nfs/dbraw/zinc/89/97/45/1073899745.db2.gz	ZMFCJAXESUUAIZ-HNNXBMFYSA-N	1	1	414.959	1.699	20	0		HDADMO
CNC(=O)NC(=O)[C@H](C)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1	ZINC000030512766	1073935249	/nfs/dbraw/zinc/93/52/49/1073935249.db2.gz	PEADAWDGMIPWKQ-SFHVURJKSA-N	1	1	409.534	1.943	20	0		HDADMO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000140799692	1073944514	/nfs/dbraw/zinc/94/45/14/1073944514.db2.gz	GWVIZXOYNDKGLD-VXGBXAGGSA-N	1	1	410.437	2.000	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(c2cccnn2)CC1	ZINC000429175312	1073947355	/nfs/dbraw/zinc/94/73/55/1073947355.db2.gz	SPNUWLJUNWCAFS-QHCPKHFHSA-N	1	1	424.549	1.724	20	0		HDADMO
C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1nc(-c2ccccc2)cs1	ZINC000543516190	1073954491	/nfs/dbraw/zinc/95/44/91/1073954491.db2.gz	VDMBMNUYYRTHPK-INIZCTEOSA-N	1	1	415.563	1.693	20	0		HDADMO
CC[N@@H+](CCC1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1)CC(C)C	ZINC000429178244	1073962305	/nfs/dbraw/zinc/96/23/05/1073962305.db2.gz	CGYFUYZUPBDMGD-UHFFFAOYSA-N	1	1	419.636	1.608	20	0		HDADMO
CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC000670440948	1073963894	/nfs/dbraw/zinc/96/38/94/1073963894.db2.gz	NAKXQUOLGSSRPW-QHAWAJNXSA-N	1	1	409.534	1.795	20	0		HDADMO
C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1nc(-c2ccccc2)cs1	ZINC000543518275	1073965446	/nfs/dbraw/zinc/96/54/46/1073965446.db2.gz	IQVBBHSMSJUYHS-CQSZACIVSA-N	1	1	410.565	1.858	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2-n2cnc(C[NH3+])n2)cc1	ZINC001168750092	1073982437	/nfs/dbraw/zinc/98/24/37/1073982437.db2.gz	KAIVPUPUWBTCEI-UHFFFAOYSA-N	1	1	409.475	1.803	20	0		HDADMO
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000543520538	1073984370	/nfs/dbraw/zinc/98/43/70/1073984370.db2.gz	KMAOBZCHGQYBDE-MRXNPFEDSA-N	1	1	420.535	1.199	20	0		HDADMO
CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c(=O)[nH]c1=O	ZINC000429181772	1073987220	/nfs/dbraw/zinc/98/72/20/1073987220.db2.gz	BFZAQFWWTIIVHT-BDJLRTHQSA-N	1	1	406.508	1.723	20	0		HDADMO
Cc1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)n2)cc1	ZINC000030975748	1073990229	/nfs/dbraw/zinc/99/02/29/1073990229.db2.gz	WQFOZFYGSSDDJB-UHFFFAOYSA-N	1	1	411.506	1.981	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1	ZINC000466578171	1074004088	/nfs/dbraw/zinc/00/40/88/1074004088.db2.gz	MKJLZULDEIQFBV-VAMGGRTRSA-N	1	1	400.523	1.507	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1	ZINC000509189619	1074004753	/nfs/dbraw/zinc/00/47/53/1074004753.db2.gz	GELCKTJITVXPDU-RDTXWAMCSA-N	1	1	415.581	1.478	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)Cc3ccccn3)cc2)CC1	ZINC000543530500	1074021310	/nfs/dbraw/zinc/02/13/10/1074021310.db2.gz	FQZAHMUTLGZVGI-UHFFFAOYSA-N	1	1	423.517	1.385	20	0		HDADMO
CC[C@@H]1C[C@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC(=O)N1	ZINC000543531150	1074021930	/nfs/dbraw/zinc/02/19/30/1074021930.db2.gz	DZPKVQTVRVVDCG-ZWKOTPCHSA-N	1	1	400.523	1.637	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1	ZINC000543530954	1074023183	/nfs/dbraw/zinc/02/31/83/1074023183.db2.gz	XIDMCBWQFQISMO-CQSZACIVSA-N	1	1	400.483	1.065	20	0		HDADMO
CCn1cnnc1-c1ccccc1NC(=O)C(=O)NCCC[NH+]1CCN(CC)CC1	ZINC000543533493	1074032284	/nfs/dbraw/zinc/03/22/84/1074032284.db2.gz	OTJLLLDTSOMCIA-UHFFFAOYSA-N	1	1	413.526	1.047	20	0		HDADMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1	ZINC000543536506	1074040668	/nfs/dbraw/zinc/04/06/68/1074040668.db2.gz	PIYYWOSUTMEOOP-INIZCTEOSA-N	1	1	401.511	1.387	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000543535257	1074042354	/nfs/dbraw/zinc/04/23/54/1074042354.db2.gz	TYGHVUSEXYHRSU-CVEARBPZSA-N	1	1	401.511	1.387	20	0		HDADMO
Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000509197898	1074048456	/nfs/dbraw/zinc/04/84/56/1074048456.db2.gz	SWOVHGOQRFKNQD-CQSZACIVSA-N	1	1	413.316	1.531	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000429198668	1074055772	/nfs/dbraw/zinc/05/57/72/1074055772.db2.gz	OHOSYPYLBLUIFS-OAHLLOKOSA-N	1	1	414.428	1.832	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1=O	ZINC000466603795	1074068714	/nfs/dbraw/zinc/06/87/14/1074068714.db2.gz	GECSCSXEAFNPQO-UGFHNGPFSA-N	1	1	406.508	1.422	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2cnnn2)cc1	ZINC000429200248	1074071674	/nfs/dbraw/zinc/07/16/74/1074071674.db2.gz	QLFGLSIBWHQPMY-NRFANRHFSA-N	1	1	407.478	1.763	20	0		HDADMO
CC[C@H](NC(=O)C(=O)Nc1ccc(C)[nH]c1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543555125	1074083843	/nfs/dbraw/zinc/08/38/43/1074083843.db2.gz	IRXRRLJDWMJTJG-PKOBYXMFSA-N	1	1	412.490	1.830	20	0		HDADMO
CC[C@H](NC(=O)C(=O)Nc1ccc(C)[nH]c1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543555125	1074083847	/nfs/dbraw/zinc/08/38/47/1074083847.db2.gz	IRXRRLJDWMJTJG-PKOBYXMFSA-N	1	1	412.490	1.830	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)NCC(C)(C)S(C)(=O)=O)[C@H](c2ccccc2)C1	ZINC000674029387	1074097369	/nfs/dbraw/zinc/09/73/69/1074097369.db2.gz	OPYFXBZPQHRNEB-SFHVURJKSA-N	1	1	410.584	1.488	20	0		HDADMO
CCOC(=O)[C@@H](NCC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CCOCC1	ZINC000543559083	1074102145	/nfs/dbraw/zinc/10/21/45/1074102145.db2.gz	KVHLBJHVAKTIFW-QFIPXVFZSA-N	1	1	417.550	1.587	20	0		HDADMO
CCn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O	ZINC000543560008	1074106619	/nfs/dbraw/zinc/10/66/19/1074106619.db2.gz	WFJZGQSJJPGABW-GDBMZVCRSA-N	1	1	404.442	1.725	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC(F)F)cc3)CC2)C1	ZINC000674039207	1074113059	/nfs/dbraw/zinc/11/30/59/1074113059.db2.gz	LDEBVCPRUCJVOE-INIZCTEOSA-N	1	1	410.465	1.507	20	0		HDADMO
COc1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@@H](C(=O)N(C)C)C3)CC2)cc1	ZINC000110737139	1074114080	/nfs/dbraw/zinc/11/40/80/1074114080.db2.gz	WWPSYFCZFVTYEL-LJQANCHMSA-N	1	1	402.539	1.140	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnc(O[C@H]2CCOC2)c1	ZINC000543578063	1074160400	/nfs/dbraw/zinc/16/04/00/1074160400.db2.gz	TXBUUYUJFJOTNQ-QHAWAJNXSA-N	1	1	411.502	1.862	20	0		HDADMO
Cc1c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000674132534	1074188369	/nfs/dbraw/zinc/18/83/69/1074188369.db2.gz	WQKJDCMCOSQSKG-GOSISDBHSA-N	1	1	424.549	1.358	20	0		HDADMO
Cc1c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674132534	1074188373	/nfs/dbraw/zinc/18/83/73/1074188373.db2.gz	WQKJDCMCOSQSKG-GOSISDBHSA-N	1	1	424.549	1.358	20	0		HDADMO
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000674134966	1074192631	/nfs/dbraw/zinc/19/26/31/1074192631.db2.gz	OYGMIPDLJKDHTM-UHFFFAOYSA-N	1	1	407.496	1.349	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1	ZINC000674137521	1074194069	/nfs/dbraw/zinc/19/40/69/1074194069.db2.gz	ZGZMBHPMGVUAIR-KBXCAEBGSA-N	1	1	418.519	1.752	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCN1CCCS1(=O)=O	ZINC000674157822	1074195120	/nfs/dbraw/zinc/19/51/20/1074195120.db2.gz	PGBQDUZORWFPMD-PKOBYXMFSA-N	1	1	408.568	1.622	20	0		HDADMO
CC[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1nnc2n1CCCCC2	ZINC000674169250	1074201957	/nfs/dbraw/zinc/20/19/57/1074201957.db2.gz	PHHZSAYJOMAIPE-QZTJIDSGSA-N	1	1	403.575	1.877	20	0		HDADMO
CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1	ZINC000674193200	1074208500	/nfs/dbraw/zinc/20/85/00/1074208500.db2.gz	SISVWPXHUBQNAC-QGZVFWFLSA-N	1	1	408.524	1.377	20	0		HDADMO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCN([C@H]2CCC[C@@H]2O)CC1	ZINC000674182567	1074216081	/nfs/dbraw/zinc/21/60/81/1074216081.db2.gz	PXHKGLGVENOPNK-VXKWHMMOSA-N	1	1	416.566	1.384	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](CCO)C3)c2)C[C@H](C)O1	ZINC000674203668	1074218956	/nfs/dbraw/zinc/21/89/56/1074218956.db2.gz	DHDQKHNLYQYHRC-FGTMMUONSA-N	1	1	403.523	1.855	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](CCO)C3)c2)C[C@H](C)O1	ZINC000674203668	1074218959	/nfs/dbraw/zinc/21/89/59/1074218959.db2.gz	DHDQKHNLYQYHRC-FGTMMUONSA-N	1	1	403.523	1.855	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C	ZINC000429224363	1074244175	/nfs/dbraw/zinc/24/41/75/1074244175.db2.gz	BIYOADWPKWYHCF-MSOLQXFVSA-N	1	1	412.513	1.864	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C	ZINC000429224363	1074244180	/nfs/dbraw/zinc/24/41/80/1074244180.db2.gz	BIYOADWPKWYHCF-MSOLQXFVSA-N	1	1	412.513	1.864	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C	ZINC000429224364	1074244515	/nfs/dbraw/zinc/24/45/15/1074244515.db2.gz	BIYOADWPKWYHCF-QZTJIDSGSA-N	1	1	412.513	1.864	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C	ZINC000429224364	1074244517	/nfs/dbraw/zinc/24/45/17/1074244517.db2.gz	BIYOADWPKWYHCF-QZTJIDSGSA-N	1	1	412.513	1.864	20	0		HDADMO
O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000674298721	1074262876	/nfs/dbraw/zinc/26/28/76/1074262876.db2.gz	BUPNEIHUWRGKSH-SFTDATJTSA-N	1	1	414.550	1.726	20	0		HDADMO
COC1CCN(CCNC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1	ZINC000674310319	1074269015	/nfs/dbraw/zinc/26/90/15/1074269015.db2.gz	DQFIZRLYRLWUEM-UHFFFAOYSA-N	1	1	412.538	1.404	20	0		HDADMO
COC1CCN(CCNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1	ZINC000674310319	1074269022	/nfs/dbraw/zinc/26/90/22/1074269022.db2.gz	DQFIZRLYRLWUEM-UHFFFAOYSA-N	1	1	412.538	1.404	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)NCCCN2CCCS2(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000674329172	1074277925	/nfs/dbraw/zinc/27/79/25/1074277925.db2.gz	YWASXBDTPXTHMM-HKUYNNGSSA-N	1	1	408.568	1.764	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674329929	1074279105	/nfs/dbraw/zinc/27/91/05/1074279105.db2.gz	UXTKZGUMNZRPDA-RBUKOAKNSA-N	1	1	421.973	1.624	20	0		HDADMO
O=C(CCCc1ccccn1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000674320119	1074280854	/nfs/dbraw/zinc/28/08/54/1074280854.db2.gz	DKOHIHZHVJPFJB-UHFFFAOYSA-N	1	1	402.539	1.481	20	0		HDADMO
COCCCOc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000674321244	1074281827	/nfs/dbraw/zinc/28/18/27/1074281827.db2.gz	XQSFDWJHDZAZAK-LJQANCHMSA-N	1	1	418.538	1.279	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)CC1	ZINC000674337338	1074284041	/nfs/dbraw/zinc/28/40/41/1074284041.db2.gz	HQBBOGFFPGSNLP-UHFFFAOYSA-N	1	1	402.886	1.655	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1	ZINC000674330900	1074285952	/nfs/dbraw/zinc/28/59/52/1074285952.db2.gz	AXGSKTPOJPXCBG-IEBWSBKVSA-N	1	1	423.583	1.173	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)[nH]n2)cc1OC	ZINC000674360666	1074292194	/nfs/dbraw/zinc/29/21/94/1074292194.db2.gz	SKGLANWFWOYANL-QZTJIDSGSA-N	1	1	400.479	1.765	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1	ZINC000674433815	1074332393	/nfs/dbraw/zinc/33/23/93/1074332393.db2.gz	ZVKYZRQHLMXILV-SFHVURJKSA-N	1	1	400.589	1.708	20	0		HDADMO
C[C@H](CCNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1	ZINC000674435408	1074333671	/nfs/dbraw/zinc/33/36/71/1074333671.db2.gz	REUKCKQOKXOGSL-CDMIOBSGSA-N	1	1	415.538	1.917	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3ccc(OC)c(OC)c3)CCN2C1=O	ZINC000674467917	1074365884	/nfs/dbraw/zinc/36/58/84/1074365884.db2.gz	KNTIFAXJVMQDEF-GDBMZVCRSA-N	1	1	418.494	1.019	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3ccc(OC)c(OC)c3)CCN2C1=O	ZINC000674467917	1074365891	/nfs/dbraw/zinc/36/58/91/1074365891.db2.gz	KNTIFAXJVMQDEF-GDBMZVCRSA-N	1	1	418.494	1.019	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)COc3cccc(C(F)(F)F)c3)CCN2C1=O	ZINC000674469188	1074366709	/nfs/dbraw/zinc/36/67/09/1074366709.db2.gz	XHLKTUZNBQTMDX-UKRRQHHQSA-N	1	1	401.385	1.413	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O	ZINC000674469093	1074366939	/nfs/dbraw/zinc/36/69/39/1074366939.db2.gz	WKIZYVZWUYJJCV-KRWDZBQOSA-N	1	1	413.478	1.110	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CCN2C1=O	ZINC000674470020	1074368507	/nfs/dbraw/zinc/36/85/07/1074368507.db2.gz	NXMWDMZUZKYFPU-ABAIWWIYSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CCN2C1=O	ZINC000674471526	1074370209	/nfs/dbraw/zinc/37/02/09/1074370209.db2.gz	GGTFJMQZOOQAHA-TZMCWYRMSA-N	1	1	402.278	1.701	20	0		HDADMO
CC[NH+]1CCN(c2ccc(C(=O)N(C)CCN3CCCS3(=O)=O)cc2F)CC1	ZINC000674502799	1074399258	/nfs/dbraw/zinc/39/92/58/1074399258.db2.gz	IDRJNTJFNVNLMT-UHFFFAOYSA-N	1	1	412.531	1.075	20	0		HDADMO
Cn1c2ncn(CC[NH+]3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2c(=O)n(C)c1=O	ZINC000674497441	1074408531	/nfs/dbraw/zinc/40/85/31/1074408531.db2.gz	RMAZUIYUTYKCOD-RKDXNWHRSA-N	1	1	413.322	1.106	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	ZINC001626100163	1074409307	/nfs/dbraw/zinc/40/93/07/1074409307.db2.gz	DZANQMMJFZWBNO-QGZVFWFLSA-N	1	1	411.543	1.631	20	0		HDADMO
C[C@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674514707	1074411974	/nfs/dbraw/zinc/41/19/74/1074411974.db2.gz	WAFCSOGVHAKDFT-HKUYNNGSSA-N	1	1	423.579	1.754	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1	ZINC000674545827	1074427276	/nfs/dbraw/zinc/42/72/76/1074427276.db2.gz	BDPQLQFNMHUEQR-CYBMUJFWSA-N	1	1	400.401	1.577	20	0		HDADMO
Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)cs1	ZINC000674583036	1074449156	/nfs/dbraw/zinc/44/91/56/1074449156.db2.gz	YGMWQXDZXPSHGQ-FOIQADDNSA-N	1	1	419.551	1.500	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O	ZINC000674582320	1074460650	/nfs/dbraw/zinc/46/06/50/1074460650.db2.gz	VAJNSKDKEDRAOJ-XPIZARPCSA-N	1	1	402.470	1.627	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O	ZINC000674582320	1074460654	/nfs/dbraw/zinc/46/06/54/1074460654.db2.gz	VAJNSKDKEDRAOJ-XPIZARPCSA-N	1	1	402.470	1.627	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O	ZINC000674594763	1074461814	/nfs/dbraw/zinc/46/18/14/1074461814.db2.gz	POGOYIAODYBECG-MSOLQXFVSA-N	1	1	402.470	1.675	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O	ZINC000674594763	1074461816	/nfs/dbraw/zinc/46/18/16/1074461816.db2.gz	POGOYIAODYBECG-MSOLQXFVSA-N	1	1	402.470	1.675	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O	ZINC000674594764	1074461820	/nfs/dbraw/zinc/46/18/20/1074461820.db2.gz	POGOYIAODYBECG-QZTJIDSGSA-N	1	1	402.470	1.675	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O	ZINC000674594764	1074461822	/nfs/dbraw/zinc/46/18/22/1074461822.db2.gz	POGOYIAODYBECG-QZTJIDSGSA-N	1	1	402.470	1.675	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O	ZINC000674594766	1074461834	/nfs/dbraw/zinc/46/18/34/1074461834.db2.gz	POGOYIAODYBECG-ZWKOTPCHSA-N	1	1	402.470	1.675	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O	ZINC000674594766	1074461836	/nfs/dbraw/zinc/46/18/36/1074461836.db2.gz	POGOYIAODYBECG-ZWKOTPCHSA-N	1	1	402.470	1.675	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(N4CC[NH+](CC)CC4)c(F)c3)CCN2C1=O	ZINC000674595598	1074463158	/nfs/dbraw/zinc/46/31/58/1074463158.db2.gz	WUFXTIJYHRPGPJ-SFHVURJKSA-N	1	1	417.485	1.076	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000674655187	1074507598	/nfs/dbraw/zinc/50/75/98/1074507598.db2.gz	PYFLGZANBZQUGQ-OAHLLOKOSA-N	1	1	409.552	1.300	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](OC)C3(C)C)cc2)CC1	ZINC000674682747	1074522746	/nfs/dbraw/zinc/52/27/46/1074522746.db2.gz	WIZUGXJFRDXOGS-QZTJIDSGSA-N	1	1	416.522	1.333	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1	ZINC000674714017	1074533419	/nfs/dbraw/zinc/53/34/19/1074533419.db2.gz	LIQDNHARDIISFW-LJQANCHMSA-N	1	1	402.539	1.179	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CO)CC1	ZINC000674714016	1074533545	/nfs/dbraw/zinc/53/35/45/1074533545.db2.gz	LIQDNHARDIISFW-IBGZPJMESA-N	1	1	402.539	1.179	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1	ZINC000674708275	1074536311	/nfs/dbraw/zinc/53/63/11/1074536311.db2.gz	MBLRRIHLNHXDKG-LJQANCHMSA-N	1	1	420.579	1.859	20	0		HDADMO
COCCOc1cc(C)ccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000674778548	1074553808	/nfs/dbraw/zinc/55/38/08/1074553808.db2.gz	LCZVJSPOKOKDGP-LJQANCHMSA-N	1	1	404.555	1.988	20	0		HDADMO
COCCOc1cc(C)ccc1CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000674778548	1074553812	/nfs/dbraw/zinc/55/38/12/1074553812.db2.gz	LCZVJSPOKOKDGP-LJQANCHMSA-N	1	1	404.555	1.988	20	0		HDADMO
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674782876	1074563395	/nfs/dbraw/zinc/56/33/95/1074563395.db2.gz	ALZGRZGBPSYKMN-DLBZAZTESA-N	1	1	423.508	1.249	20	0		HDADMO
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000670484099	1074570202	/nfs/dbraw/zinc/57/02/02/1074570202.db2.gz	VTQVHPOTWZUUPS-NRFANRHFSA-N	1	1	416.566	1.240	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(=O)[nH]c1=O	ZINC000429241142	1074598621	/nfs/dbraw/zinc/59/86/21/1074598621.db2.gz	ZOZMJYSXSASOHF-INIZCTEOSA-N	1	1	421.542	1.433	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O	ZINC000674926502	1074624130	/nfs/dbraw/zinc/62/41/30/1074624130.db2.gz	BSVIFQVWWLYLDN-AEFFLSMTSA-N	1	1	415.538	1.268	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O	ZINC000674926502	1074624137	/nfs/dbraw/zinc/62/41/37/1074624137.db2.gz	BSVIFQVWWLYLDN-AEFFLSMTSA-N	1	1	415.538	1.268	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1	ZINC000674917051	1074627463	/nfs/dbraw/zinc/62/74/63/1074627463.db2.gz	IFZXDYSZHUAYRN-VXKWHMMOSA-N	1	1	416.566	1.914	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCC(OCCCO)CC2)c2cccs2)CC1	ZINC000674971410	1074655325	/nfs/dbraw/zinc/65/53/25/1074655325.db2.gz	KHNQHUXYDYKVBE-GOSISDBHSA-N	1	1	410.584	1.610	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)N2CCC(OCCCO)CC2)c2cccs2)CC1	ZINC000674971415	1074655462	/nfs/dbraw/zinc/65/54/62/1074655462.db2.gz	KHNQHUXYDYKVBE-SFHVURJKSA-N	1	1	410.584	1.610	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCS(=O)(=O)C(C)(C)C3)cc2)CC1	ZINC000674980276	1074657038	/nfs/dbraw/zinc/65/70/38/1074657038.db2.gz	MPEDNRACZFXGSY-UHFFFAOYSA-N	1	1	422.551	1.505	20	0		HDADMO
Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000766086141	1074659005	/nfs/dbraw/zinc/65/90/05/1074659005.db2.gz	ZCOGNTRXBMRLKN-SFHVURJKSA-N	1	1	415.494	1.722	20	0		HDADMO
CC(C)c1cc(NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)no1	ZINC000437730671	1074663835	/nfs/dbraw/zinc/66/38/35/1074663835.db2.gz	CNVUYZLUAFUITG-UHFFFAOYSA-N	1	1	413.478	1.692	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000429308951	1074668965	/nfs/dbraw/zinc/66/89/65/1074668965.db2.gz	MDEWUKNKJZLXSM-LNLFQRSKSA-N	1	1	418.538	1.606	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000429309007	1074668991	/nfs/dbraw/zinc/66/89/91/1074668991.db2.gz	MHUJIQMZFXTCOS-CABCVRRESA-N	1	1	410.540	1.074	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)Nc2cnn(CCO)c2)C[C@H](C)O1	ZINC000674994896	1074670386	/nfs/dbraw/zinc/67/03/86/1074670386.db2.gz	WWTQJLZMXQFMIP-GASCZTMLSA-N	1	1	401.467	1.062	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)Nc2cnn(CCO)c2)C[C@H](C)O1	ZINC000674994896	1074670399	/nfs/dbraw/zinc/67/03/99/1074670399.db2.gz	WWTQJLZMXQFMIP-GASCZTMLSA-N	1	1	401.467	1.062	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1=O	ZINC000675003206	1074685001	/nfs/dbraw/zinc/68/50/01/1074685001.db2.gz	DDIOMKFVEQEGPE-IAGOWNOFSA-N	1	1	402.495	1.307	20	0		HDADMO
CC(C)(C)N1C[C@@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O	ZINC000429311829	1074685767	/nfs/dbraw/zinc/68/57/67/1074685767.db2.gz	RPQVRIUIGGXYEC-AWEZNQCLSA-N	1	1	408.465	1.682	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1	ZINC000675041892	1074698776	/nfs/dbraw/zinc/69/87/76/1074698776.db2.gz	CUJDDVHOXNXMNB-RDJZCZTQSA-N	1	1	409.552	1.650	20	0		HDADMO
CC(C)(C)n1nnc(CC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1	ZINC001034323121	1074698834	/nfs/dbraw/zinc/69/88/34/1074698834.db2.gz	GYRYQGFDYGOYNK-PITCONLNSA-N	1	1	402.543	1.365	20	0		HDADMO
COC(=O)COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc12	ZINC000429314325	1074709481	/nfs/dbraw/zinc/70/94/81/1074709481.db2.gz	RVMUSMJXXARGIS-HNNXBMFYSA-N	1	1	401.463	1.922	20	0		HDADMO
COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc12	ZINC000429314325	1074709487	/nfs/dbraw/zinc/70/94/87/1074709487.db2.gz	RVMUSMJXXARGIS-HNNXBMFYSA-N	1	1	401.463	1.922	20	0		HDADMO
CCn1c(=O)c(C(=O)C[NH2+][C@H](C)c2cccc(O)c2)c(N)n(Cc2ccccc2)c1=O	ZINC000429314125	1074712138	/nfs/dbraw/zinc/71/21/38/1074712138.db2.gz	HMCMBNSWERFOGE-OAHLLOKOSA-N	1	1	422.485	1.900	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4C)c(F)c3)CCN2C1=O	ZINC000675093445	1074716731	/nfs/dbraw/zinc/71/67/31/1074716731.db2.gz	MYFBGSXYZHSHPY-KRWDZBQOSA-N	1	1	414.441	1.498	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1	ZINC000675103081	1074719876	/nfs/dbraw/zinc/71/98/76/1074719876.db2.gz	IFGIBCKYMQAVKQ-CEMLEFRQSA-N	1	1	415.582	1.355	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1	ZINC000675103081	1074719879	/nfs/dbraw/zinc/71/98/79/1074719879.db2.gz	IFGIBCKYMQAVKQ-CEMLEFRQSA-N	1	1	415.582	1.355	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)s1	ZINC000467469227	1074728601	/nfs/dbraw/zinc/72/86/01/1074728601.db2.gz	MUBDGHBTCOWWCE-HIFRSBDPSA-N	1	1	403.508	2.428	20	0		HDADMO
O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccccc1CN1CCNC1=O	ZINC000543615386	1074734916	/nfs/dbraw/zinc/73/49/16/1074734916.db2.gz	ZSTXXUFEUBXGND-UXHICEINSA-N	1	1	423.517	1.969	20	0		HDADMO
Cc1cnn(-c2ccc(S(=O)(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2F)c1	ZINC000675130676	1074736229	/nfs/dbraw/zinc/73/62/29/1074736229.db2.gz	RSPIKQNQKJFMBB-KRWDZBQOSA-N	1	1	421.542	1.720	20	0		HDADMO
C[NH+](C)CCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCS(=O)(=O)C1	ZINC000675145073	1074743986	/nfs/dbraw/zinc/74/39/86/1074743986.db2.gz	ZZLSKPPAUZDPKB-KRWDZBQOSA-N	1	1	403.508	1.411	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)nn1-c1ccccc1Cl	ZINC000539594382	1074744359	/nfs/dbraw/zinc/74/43/59/1074744359.db2.gz	PZRHDBWGROGJDY-UHFFFAOYSA-N	1	1	405.886	1.611	20	0		HDADMO
Cc1c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675188287	1074751974	/nfs/dbraw/zinc/75/19/74/1074751974.db2.gz	JJKLZSFFYMNHMF-IEBWSBKVSA-N	1	1	408.506	1.447	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)CC[C@H]21	ZINC000766097531	1074753549	/nfs/dbraw/zinc/75/35/49/1074753549.db2.gz	MGBQSUUGHZLJAF-CYKHJPMSSA-N	1	1	424.545	1.732	20	0		HDADMO
O=C(NCCNc1cnccn1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1	ZINC000554966355	1074754852	/nfs/dbraw/zinc/75/48/52/1074754852.db2.gz	SCNVCNCZSOHZFY-UHFFFAOYSA-N	1	1	421.505	2.507	20	0		HDADMO
CN(CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21	ZINC000766096070	1074755004	/nfs/dbraw/zinc/75/50/04/1074755004.db2.gz	GDOQJRUAHIAENQ-SJLPKXTDSA-N	1	1	418.563	1.790	20	0		HDADMO
Cc1coc(-c2cccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)c2)n1	ZINC000675209540	1074758385	/nfs/dbraw/zinc/75/83/85/1074758385.db2.gz	DZLLHHFDUCQUSE-IBGZPJMESA-N	1	1	411.506	1.827	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNC(C)(C)c2cc(C(F)(F)F)on2)C1	ZINC000429244261	1074763532	/nfs/dbraw/zinc/76/35/32/1074763532.db2.gz	JQEWCYBCUGPMII-CYBMUJFWSA-N	1	1	406.449	1.991	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCCS3)cc2)CC1	ZINC000675210457	1074763854	/nfs/dbraw/zinc/76/38/54/1074763854.db2.gz	IUUQYXIIBIAGLH-OAQYLSRUSA-N	1	1	418.563	1.805	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1C	ZINC000439454360	1074778285	/nfs/dbraw/zinc/77/82/85/1074778285.db2.gz	MYAQDKYVFIRFJR-HNNXBMFYSA-N	1	1	409.412	2.077	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1C	ZINC000439454360	1074778296	/nfs/dbraw/zinc/77/82/96/1074778296.db2.gz	MYAQDKYVFIRFJR-HNNXBMFYSA-N	1	1	409.412	2.077	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000675254521	1074778964	/nfs/dbraw/zinc/77/89/64/1074778964.db2.gz	JVQZCKPHFPEOHB-MOPGFXCFSA-N	1	1	403.527	1.105	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1	ZINC000675287150	1074780281	/nfs/dbraw/zinc/78/02/81/1074780281.db2.gz	WEYGUTXJQMCWIW-IAGOWNOFSA-N	1	1	414.531	1.649	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000675291908	1074782507	/nfs/dbraw/zinc/78/25/07/1074782507.db2.gz	WQSVENLCIANVSK-CKEIUWERSA-N	1	1	422.476	1.423	20	0		HDADMO
CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000675282076	1074786060	/nfs/dbraw/zinc/78/60/60/1074786060.db2.gz	ZLRMNYQYMQEGGM-GOSISDBHSA-N	1	1	409.552	1.412	20	0		HDADMO
O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446714348	1074786923	/nfs/dbraw/zinc/78/69/23/1074786923.db2.gz	HUBLQEKLHBHFTI-INIZCTEOSA-N	1	1	423.439	2.065	20	0		HDADMO
CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1	ZINC000466670442	1074794842	/nfs/dbraw/zinc/79/48/42/1074794842.db2.gz	RSPITOLWJFLMSD-NHYWBVRUSA-N	1	1	410.462	1.995	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[C@H]21	ZINC000766106010	1074812037	/nfs/dbraw/zinc/81/20/37/1074812037.db2.gz	APJLYLJFSQOOAO-VHSXEESVSA-N	1	1	422.370	1.714	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC[C@H]21	ZINC000766114332	1074821179	/nfs/dbraw/zinc/82/11/79/1074821179.db2.gz	SLVHBECDDFHEAJ-SWLSCSKDSA-N	1	1	413.490	1.962	20	0		HDADMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C	ZINC000446788616	1075097159	/nfs/dbraw/zinc/09/71/59/1075097159.db2.gz	YGLUZJVPTXJHHZ-INIZCTEOSA-N	1	1	416.501	2.424	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)no1	ZINC000599295969	1075113887	/nfs/dbraw/zinc/11/38/87/1075113887.db2.gz	CUWOZHBOAMPRGE-LJQANCHMSA-N	1	1	419.913	2.022	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000670513073	1075116307	/nfs/dbraw/zinc/11/63/07/1075116307.db2.gz	FYBHPDKFIMVBPA-AWEZNQCLSA-N	1	1	415.456	1.668	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC[N@H+]1CC(C)(C)O	ZINC000670513073	1075116311	/nfs/dbraw/zinc/11/63/11/1075116311.db2.gz	FYBHPDKFIMVBPA-AWEZNQCLSA-N	1	1	415.456	1.668	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000675379836	1075119154	/nfs/dbraw/zinc/11/91/54/1075119154.db2.gz	QYNRHHAUYUTYDW-CXAGYDPISA-N	1	1	422.888	1.301	20	0		HDADMO
COc1cccc([C@@H](O)C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc2ccccc2)c1	ZINC000766120273	1075123898	/nfs/dbraw/zinc/12/38/98/1075123898.db2.gz	LTXNBOZQYNNGMN-UTKZUKDTSA-N	1	1	413.518	1.824	20	0		HDADMO
COc1cccc([C@@H](O)C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc2ccccc2)c1	ZINC000766120273	1075123900	/nfs/dbraw/zinc/12/39/00/1075123900.db2.gz	LTXNBOZQYNNGMN-UTKZUKDTSA-N	1	1	413.518	1.824	20	0		HDADMO
CCCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000675402862	1075127768	/nfs/dbraw/zinc/12/77/68/1075127768.db2.gz	FDQUFIRKRRBHKK-KRWDZBQOSA-N	1	1	406.502	1.791	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1)CN1CC[NH+](C)CC1	ZINC000675403615	1075128925	/nfs/dbraw/zinc/12/89/25/1075128925.db2.gz	NCMGPWXFQFCEMU-ROUUACIJSA-N	1	1	412.538	1.431	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000675433366	1075142754	/nfs/dbraw/zinc/14/27/54/1075142754.db2.gz	NKFUQLXMVDYVJI-CXAGYDPISA-N	1	1	422.888	1.301	20	0		HDADMO
CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000429345344	1075145132	/nfs/dbraw/zinc/14/51/32/1075145132.db2.gz	CNBNTELRQQOLCY-DYESRHJHSA-N	1	1	402.495	1.114	20	0		HDADMO
COc1cccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@H](c3ccco3)[NH+](C)C)C2)c1	ZINC000670525913	1075149292	/nfs/dbraw/zinc/14/92/92/1075149292.db2.gz	POXABSZHVWVWIU-QFBILLFUSA-N	1	1	414.506	1.650	20	0		HDADMO
CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000042288508	1075150286	/nfs/dbraw/zinc/15/02/86/1075150286.db2.gz	NZJYWXNMBBFDNW-HNNXBMFYSA-N	1	1	412.456	1.907	20	0		HDADMO
Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000543627794	1075151320	/nfs/dbraw/zinc/15/13/20/1075151320.db2.gz	HESLCCGGVMFYEW-CABCVRRESA-N	1	1	417.574	1.643	20	0		HDADMO
C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1	ZINC000675453831	1075158652	/nfs/dbraw/zinc/15/86/52/1075158652.db2.gz	DDTFPCLYABXZNL-HNNXBMFYSA-N	1	1	401.554	1.234	20	0		HDADMO
C[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1	ZINC000675453831	1075158656	/nfs/dbraw/zinc/15/86/56/1075158656.db2.gz	DDTFPCLYABXZNL-HNNXBMFYSA-N	1	1	401.554	1.234	20	0		HDADMO
CN(C)c1ccc(-c2cncc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)c2)cc1	ZINC000675467497	1075166545	/nfs/dbraw/zinc/16/65/45/1075166545.db2.gz	XDEBZZRJFNABBE-QFIPXVFZSA-N	1	1	423.561	1.951	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C[N@H+]1Cc1ccccc1	ZINC000466681495	1075168042	/nfs/dbraw/zinc/16/80/42/1075168042.db2.gz	GLDMTNFUPVGBAC-IEBWSBKVSA-N	1	1	423.517	1.636	20	0		HDADMO
COC[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(Cl)cc1	ZINC000675477383	1075170072	/nfs/dbraw/zinc/17/00/72/1075170072.db2.gz	RTECMZCOKURENW-MOPGFXCFSA-N	1	1	422.957	1.382	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1	ZINC000537439456	1075171206	/nfs/dbraw/zinc/17/12/06/1075171206.db2.gz	JQSPSZOCIUKIPY-GOSISDBHSA-N	1	1	413.522	1.963	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C	ZINC000472409903	1075171222	/nfs/dbraw/zinc/17/12/22/1075171222.db2.gz	IKDMCVPMSSUEOJ-IEBWSBKVSA-N	1	1	413.522	1.966	20	0		HDADMO
COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)[C@H]1C(C)C	ZINC000429352688	1075171482	/nfs/dbraw/zinc/17/14/82/1075171482.db2.gz	IGVHSXUZBGDKEN-GUYCJALGSA-N	1	1	406.874	1.774	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)[C@H]1C(C)C	ZINC000429352688	1075171484	/nfs/dbraw/zinc/17/14/84/1075171484.db2.gz	IGVHSXUZBGDKEN-GUYCJALGSA-N	1	1	406.874	1.774	20	0		HDADMO
O=C(C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000675491652	1075176249	/nfs/dbraw/zinc/17/62/49/1075176249.db2.gz	SRGKYGATZOCBRK-HOTGVXAUSA-N	1	1	407.453	1.808	20	0		HDADMO
Cc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)nn1CCCOc1ccc(F)cc1	ZINC000547288945	1075180281	/nfs/dbraw/zinc/18/02/81/1075180281.db2.gz	FININOGBYBUBSU-FQEVSTJZSA-N	1	1	405.474	1.988	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(CCCOC)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446868731	1075187764	/nfs/dbraw/zinc/18/77/64/1075187764.db2.gz	SLFQLEPMCUCRPT-IBGZPJMESA-N	1	1	413.522	1.981	20	0		HDADMO
O=C(Nc1ccn(CCN2CCOCC2)n1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000448361195	1075187774	/nfs/dbraw/zinc/18/77/74/1075187774.db2.gz	FZXOJKCGLSQMIL-IEBWSBKVSA-N	1	1	402.543	1.696	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)cc21	ZINC000675531586	1075192722	/nfs/dbraw/zinc/19/27/22/1075192722.db2.gz	ISPQUCBVZCHHDJ-UHFFFAOYSA-N	1	1	402.499	1.311	20	0		HDADMO
C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766165361	1075200816	/nfs/dbraw/zinc/20/08/16/1075200816.db2.gz	FPGFRTOQBQYFLU-IJEWVQPXSA-N	1	1	403.570	1.546	20	0		HDADMO
C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766165361	1075200819	/nfs/dbraw/zinc/20/08/19/1075200819.db2.gz	FPGFRTOQBQYFLU-IJEWVQPXSA-N	1	1	403.570	1.546	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1	ZINC000478968848	1075202682	/nfs/dbraw/zinc/20/26/82/1075202682.db2.gz	WPFWMIYYARDYJN-QGZVFWFLSA-N	1	1	405.543	1.971	20	0		HDADMO
Cc1ccc(C)c(-n2ccnc2SCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1	ZINC000675577683	1075210483	/nfs/dbraw/zinc/21/04/83/1075210483.db2.gz	WQNXOAZMGCHVIK-UHFFFAOYSA-N	1	1	415.563	1.814	20	0		HDADMO
O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000675578764	1075210916	/nfs/dbraw/zinc/21/09/16/1075210916.db2.gz	IAASPGFZXXEMLU-GHTZIAJQSA-N	1	1	424.501	1.487	20	0		HDADMO
O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCC[N@H+]1Cc1ccccn1	ZINC000675578764	1075210922	/nfs/dbraw/zinc/21/09/22/1075210922.db2.gz	IAASPGFZXXEMLU-GHTZIAJQSA-N	1	1	424.501	1.487	20	0		HDADMO
CC[N@@H+](CCC1CCN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1)CC(C)C	ZINC000538048913	1075212462	/nfs/dbraw/zinc/21/24/62/1075212462.db2.gz	TZUYBFCWDCTGGB-UHFFFAOYSA-N	1	1	407.563	1.978	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000804219398	1075213804	/nfs/dbraw/zinc/21/38/04/1075213804.db2.gz	XDFQUHULMVXJDR-IERDGZPVSA-N	1	1	410.559	1.692	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[N@@H+]1CCc2ccccc2C1	ZINC000675587184	1075216374	/nfs/dbraw/zinc/21/63/74/1075216374.db2.gz	XOXDACXJEMIOGL-UZLBHIALSA-N	1	1	411.506	1.564	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[N@H+]1CCc2ccccc2C1	ZINC000675587184	1075216376	/nfs/dbraw/zinc/21/63/76/1075216376.db2.gz	XOXDACXJEMIOGL-UZLBHIALSA-N	1	1	411.506	1.564	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429363023	1075218591	/nfs/dbraw/zinc/21/85/91/1075218591.db2.gz	CIGUGJUHZVDTDV-HZPDHXFCSA-N	1	1	420.579	1.418	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@H]1C(C)C	ZINC000429364463	1075221983	/nfs/dbraw/zinc/22/19/83/1075221983.db2.gz	GFQQWHDJPRBYPI-ICSRJNTNSA-N	1	1	409.571	1.657	20	0		HDADMO
CN(C(=O)CNC(=O)c1ccccc1OC(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675606119	1075222673	/nfs/dbraw/zinc/22/26/73/1075222673.db2.gz	WAROMJAQEXPYTA-MRXNPFEDSA-N	1	1	424.492	1.645	20	0		HDADMO
CN(C(=O)CNC(=O)c1ccccc1OC(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675606119	1075222678	/nfs/dbraw/zinc/22/26/78/1075222678.db2.gz	WAROMJAQEXPYTA-MRXNPFEDSA-N	1	1	424.492	1.645	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)n1	ZINC000426691269	1075225598	/nfs/dbraw/zinc/22/55/98/1075225598.db2.gz	GXPMTOZAJYBQBO-CYBMUJFWSA-N	1	1	414.441	1.979	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1	ZINC000550675353	1075227133	/nfs/dbraw/zinc/22/71/33/1075227133.db2.gz	SFTUDQDNULUNEG-UHFFFAOYSA-N	1	1	420.311	2.128	20	0		HDADMO
C[C@@H](CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[N@@H+](C)Cc1ccccc1	ZINC000429366487	1075238495	/nfs/dbraw/zinc/23/84/95/1075238495.db2.gz	SADNBBYCPWCXQY-AWEZNQCLSA-N	1	1	410.478	2.019	20	0		HDADMO
C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000675621863	1075241785	/nfs/dbraw/zinc/24/17/85/1075241785.db2.gz	QCFAAXKJNYPASE-AAEUAGOBSA-N	1	1	400.292	1.846	20	0		HDADMO
CC(=O)CSCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC001129032835	1075243226	/nfs/dbraw/zinc/24/32/26/1075243226.db2.gz	CJWWWMZPYSIIQR-UHFFFAOYSA-N	1	1	401.330	1.857	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)n1	ZINC000447474425	1075243932	/nfs/dbraw/zinc/24/39/32/1075243932.db2.gz	WFXSGRRESCCTMS-HNNXBMFYSA-N	1	1	401.467	1.802	20	0		HDADMO
O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1	ZINC000675654982	1075248199	/nfs/dbraw/zinc/24/81/99/1075248199.db2.gz	XMXZECBUMIEXOE-ROUUACIJSA-N	1	1	402.543	1.757	20	0		HDADMO
O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1	ZINC000675654983	1075248274	/nfs/dbraw/zinc/24/82/74/1075248274.db2.gz	XMXZECBUMIEXOE-ZWKOTPCHSA-N	1	1	402.543	1.757	20	0		HDADMO
O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1	ZINC000675654980	1075248304	/nfs/dbraw/zinc/24/83/04/1075248304.db2.gz	XMXZECBUMIEXOE-MSOLQXFVSA-N	1	1	402.543	1.757	20	0		HDADMO
NC(=O)C1(c2ccccc2)CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1	ZINC000675656350	1075250109	/nfs/dbraw/zinc/25/01/09/1075250109.db2.gz	UMNNHWSTUUTURG-WOJBJXKFSA-N	1	1	414.550	1.859	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000804220257	1075251949	/nfs/dbraw/zinc/25/19/49/1075251949.db2.gz	SCXDKYGIGUBGCY-KKSFZXQISA-N	1	1	412.575	1.986	20	0		HDADMO
CC(C)(CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)Oc1cc(F)cc(F)c1	ZINC000509361945	1075254570	/nfs/dbraw/zinc/25/45/70/1075254570.db2.gz	YFUSVTZHHOUIHN-IBGZPJMESA-N	1	1	401.454	1.505	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC[N@@H+]1CCO	ZINC000429371899	1075255758	/nfs/dbraw/zinc/25/57/58/1075255758.db2.gz	LEYSCSBINDPAJR-HNNXBMFYSA-N	1	1	404.511	1.988	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC[N@H+]1CCO	ZINC000429371899	1075255762	/nfs/dbraw/zinc/25/57/62/1075255762.db2.gz	LEYSCSBINDPAJR-HNNXBMFYSA-N	1	1	404.511	1.988	20	0		HDADMO
CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2)CC1	ZINC000509362686	1075256115	/nfs/dbraw/zinc/25/61/15/1075256115.db2.gz	BHQSGMKEXKSIPB-HXUWFJFHSA-N	1	1	416.547	1.864	20	0		HDADMO
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000675699205	1075260183	/nfs/dbraw/zinc/26/01/83/1075260183.db2.gz	RKUPZHHAQRBPAZ-PBHICJAKSA-N	1	1	422.551	1.302	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000804221143	1075262989	/nfs/dbraw/zinc/26/29/89/1075262989.db2.gz	RPCQHYQHGRQZFD-GVDBMIGSSA-N	1	1	412.575	1.985	20	0		HDADMO
O=C(CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(c2ccccc2)CC1	ZINC000675727727	1075263505	/nfs/dbraw/zinc/26/35/05/1075263505.db2.gz	UTNYZXKKOVXDLU-OAQYLSRUSA-N	1	1	414.550	1.439	20	0		HDADMO
O=C(Cc1csc(N2CCCC2=O)n1)NCC[NH+]1CCN(c2ccccc2)CC1	ZINC000070039023	1075267979	/nfs/dbraw/zinc/26/79/79/1075267979.db2.gz	WXINTBCBEXNSIG-UHFFFAOYSA-N	1	1	413.547	1.751	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1	ZINC000611169617	1075268162	/nfs/dbraw/zinc/26/81/62/1075268162.db2.gz	QVRMEAAJTWVMSK-UHFFFAOYSA-N	1	1	424.571	1.666	20	0		HDADMO
O=C(c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000675786013	1075271101	/nfs/dbraw/zinc/27/11/01/1075271101.db2.gz	KYOCUAZSYDMKCP-HOTGVXAUSA-N	1	1	412.412	1.975	20	0		HDADMO
O=C(c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000675786014	1075271452	/nfs/dbraw/zinc/27/14/52/1075271452.db2.gz	KYOCUAZSYDMKCP-HZPDHXFCSA-N	1	1	412.412	1.975	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCCC[C@@H]3C(C)C)n2)c1C	ZINC000434610678	1075278305	/nfs/dbraw/zinc/27/83/05/1075278305.db2.gz	YDQXKKJAXUCGBA-QGZVFWFLSA-N	1	1	414.510	2.322	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@H]3CCC[C@@H]3C)n2)c1C	ZINC000440133502	1075280031	/nfs/dbraw/zinc/28/00/31/1075280031.db2.gz	KUBQIUOQTYDXSC-SWLSCSKDSA-N	1	1	400.483	1.838	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3ccnc(N4CCCCC4)n3)n2)c1C	ZINC000447699890	1075281778	/nfs/dbraw/zinc/28/17/78/1075281778.db2.gz	KJWGELSONMSZAY-UHFFFAOYSA-N	1	1	422.493	2.379	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[N@H+]1Cc1ccccc1	ZINC000466701864	1075282195	/nfs/dbraw/zinc/28/21/95/1075282195.db2.gz	GZHOKAOGWSLYGU-PBHICJAKSA-N	1	1	408.458	1.735	20	0		HDADMO
O=S(=O)([C@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1)N1CCCC1	ZINC000509371590	1075286943	/nfs/dbraw/zinc/28/69/43/1075286943.db2.gz	JTNCRTGLRNGKAB-NRFANRHFSA-N	1	1	406.596	1.699	20	0		HDADMO
O=S(=O)([C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1)N1CCCC1	ZINC000509371590	1075286951	/nfs/dbraw/zinc/28/69/51/1075286951.db2.gz	JTNCRTGLRNGKAB-NRFANRHFSA-N	1	1	406.596	1.699	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429381979	1075287080	/nfs/dbraw/zinc/28/70/80/1075287080.db2.gz	OCFGMPCLVAOIBM-IAGOWNOFSA-N	1	1	422.595	1.187	20	0		HDADMO
Cc1nn(C)c2nc(C)c(CC(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c(C)c12	ZINC000675917945	1075291563	/nfs/dbraw/zinc/29/15/63/1075291563.db2.gz	JZIAAJFKJPQEBO-GOSISDBHSA-N	1	1	412.538	1.201	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1	ZINC000675918784	1075291580	/nfs/dbraw/zinc/29/15/80/1075291580.db2.gz	WGNUMAWZYFDSMI-GFCCVEGCSA-N	1	1	400.405	1.010	20	0		HDADMO
O=C(N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1n1ccnn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001129118541	1075293876	/nfs/dbraw/zinc/29/38/76/1075293876.db2.gz	NWWYDOMBIACRKD-LVXVCZMBSA-N	1	1	423.517	1.512	20	0		HDADMO
C[N@H+]1CCN(CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1(C)C	ZINC000479102253	1075297102	/nfs/dbraw/zinc/29/71/02/1075297102.db2.gz	UHTFXPPUUQOTMG-UHFFFAOYSA-N	1	1	415.365	1.794	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C[N@H+]1Cc1ccccc1	ZINC000466706459	1075299680	/nfs/dbraw/zinc/29/96/80/1075299680.db2.gz	WDGGUZRTCMGAHO-LPHOPBHVSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1	ZINC000675940606	1075301659	/nfs/dbraw/zinc/30/16/59/1075301659.db2.gz	IMBGJGCNBALRCD-ZDUSSCGKSA-N	1	1	414.319	1.999	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)C2)nc(C)[nH+]1	ZINC000731292773	1075303403	/nfs/dbraw/zinc/30/34/03/1075303403.db2.gz	GJQPDARFCDJJPC-HKUYNNGSSA-N	1	1	422.489	1.726	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)[nH+]c1	ZINC000465550768	1075305234	/nfs/dbraw/zinc/30/52/34/1075305234.db2.gz	XHTGCWVWWDNDFK-SFHVURJKSA-N	1	1	411.506	2.171	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)CC2)c1	ZINC000675953738	1075313516	/nfs/dbraw/zinc/31/35/16/1075313516.db2.gz	UBIFULVXZBWRMG-UHFFFAOYSA-N	1	1	409.556	1.474	20	0		HDADMO
CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731351809	1075315047	/nfs/dbraw/zinc/31/50/47/1075315047.db2.gz	ZODAUFMFSWJSJP-LTGZKZEYSA-N	1	1	412.534	1.566	20	0		HDADMO
CC(C)([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C(=O)Nc1ccccc1	ZINC000675973650	1075316615	/nfs/dbraw/zinc/31/66/15/1075316615.db2.gz	SYYVYYLMDQAWNC-UHFFFAOYSA-N	1	1	400.523	1.854	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](CC)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C	ZINC000804221039	1075316671	/nfs/dbraw/zinc/31/66/71/1075316671.db2.gz	GSCBJJDVZUKNHS-WBVHZDCISA-N	1	1	410.559	1.739	20	0		HDADMO
COc1ccccc1OCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000675978541	1075317812	/nfs/dbraw/zinc/31/78/12/1075317812.db2.gz	JDQGZPJEBNFXGV-KRWDZBQOSA-N	1	1	404.511	1.412	20	0		HDADMO
O=C(CC1CCCC1)NC1CC[NH+](CC(=O)NC2CCC3(CC2)OCCO3)CC1	ZINC000731354795	1075317954	/nfs/dbraw/zinc/31/79/54/1075317954.db2.gz	XREJIYRWQSEMMK-UHFFFAOYSA-N	1	1	407.555	1.949	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1	ZINC000675981322	1075318771	/nfs/dbraw/zinc/31/87/71/1075318771.db2.gz	KQMPUINXOYLSSZ-QFBILLFUSA-N	1	1	421.492	1.492	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)CC1	ZINC000731355937	1075318926	/nfs/dbraw/zinc/31/89/26/1075318926.db2.gz	JYCNFEKJSKENBH-UHFFFAOYSA-N	1	1	419.570	1.465	20	0		HDADMO
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1nc(Cc2ccccc2)no1	ZINC000429386492	1075320753	/nfs/dbraw/zinc/32/07/53/1075320753.db2.gz	ZJTDSEVMKVXSNN-OAHLLOKOSA-N	1	1	414.510	1.573	20	0		HDADMO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000676006464	1075322727	/nfs/dbraw/zinc/32/27/27/1075322727.db2.gz	LARSOCANXBQYAQ-MISYRCLQSA-N	1	1	422.595	1.962	20	0		HDADMO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000676006464	1075322730	/nfs/dbraw/zinc/32/27/30/1075322730.db2.gz	LARSOCANXBQYAQ-MISYRCLQSA-N	1	1	422.595	1.962	20	0		HDADMO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000676006462	1075322752	/nfs/dbraw/zinc/32/27/52/1075322752.db2.gz	LARSOCANXBQYAQ-DFQSSKMNSA-N	1	1	422.595	1.962	20	0		HDADMO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000676006462	1075322754	/nfs/dbraw/zinc/32/27/54/1075322754.db2.gz	LARSOCANXBQYAQ-DFQSSKMNSA-N	1	1	422.595	1.962	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1	ZINC000676055067	1075334314	/nfs/dbraw/zinc/33/43/14/1075334314.db2.gz	CUDHOVJROFHNDY-POZUXBRTSA-N	1	1	407.536	1.499	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1	ZINC000509378436	1075338279	/nfs/dbraw/zinc/33/82/79/1075338279.db2.gz	JRHGHPGNRZZWMK-ICSRJNTNSA-N	1	1	423.602	1.118	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1COC1CCOCC1	ZINC000676050938	1075341384	/nfs/dbraw/zinc/34/13/84/1075341384.db2.gz	HOLMNVBMBSKLQQ-FQEVSTJZSA-N	1	1	417.550	1.519	20	0		HDADMO
COc1ccc(-c2nnc(NC(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)s2)cc1	ZINC000444893040	1075347569	/nfs/dbraw/zinc/34/75/69/1075347569.db2.gz	DACYHIAGZKZRMH-CYBMUJFWSA-N	1	1	405.524	2.523	20	0		HDADMO
COc1ccc(-c2nnc(NC(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)s2)cc1	ZINC000444893041	1075347737	/nfs/dbraw/zinc/34/77/37/1075347737.db2.gz	DACYHIAGZKZRMH-ZDUSSCGKSA-N	1	1	405.524	2.523	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)[C@H]1C(C)C	ZINC000429393981	1075352440	/nfs/dbraw/zinc/35/24/40/1075352440.db2.gz	MNCQEGWTGGPBJA-ICSRJNTNSA-N	1	1	409.571	1.907	20	0		HDADMO
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000676100413	1075355286	/nfs/dbraw/zinc/35/52/86/1075355286.db2.gz	PRNDQOIITJPFBH-UHFFFAOYSA-N	1	1	413.526	1.082	20	0		HDADMO
Cc1c(C(=O)N2CCCC[C@H]2C2OCCO2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731460764	1075356222	/nfs/dbraw/zinc/35/62/22/1075356222.db2.gz	BACBIVJQUBUELM-IBGZPJMESA-N	1	1	411.506	1.931	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](C(=O)OC)C1	ZINC000509380910	1075357130	/nfs/dbraw/zinc/35/71/30/1075357130.db2.gz	RLMZGTOWXFOSLW-AOIWGVFYSA-N	1	1	420.481	1.991	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429396517	1075359633	/nfs/dbraw/zinc/35/96/33/1075359633.db2.gz	BQDOHNOTIVRCSL-YESZJQIVSA-N	1	1	422.595	1.706	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)[C@H]1C(C)C	ZINC000429397861	1075364800	/nfs/dbraw/zinc/36/48/00/1075364800.db2.gz	GMNAAXCWLRDGAK-PXNSSMCTSA-N	1	1	405.495	1.612	20	0		HDADMO
Cn1nc(Br)cc1C[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000785482566	1075375086	/nfs/dbraw/zinc/37/50/86/1075375086.db2.gz	OZVSQNWJYSXMBE-UHFFFAOYSA-N	1	1	400.365	1.899	20	0		HDADMO
COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000466713946	1075379516	/nfs/dbraw/zinc/37/95/16/1075379516.db2.gz	SHBZGXCOTQQDBT-SJLPKXTDSA-N	1	1	412.490	1.825	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)C1	ZINC000804088924	1075379522	/nfs/dbraw/zinc/37/95/22/1075379522.db2.gz	FIXWELGRJAZWQU-LSDHHAIUSA-N	1	1	414.572	1.104	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O	ZINC000466713535	1075381105	/nfs/dbraw/zinc/38/11/05/1075381105.db2.gz	OPNKHDYKJVTALJ-GDBMZVCRSA-N	1	1	405.520	1.878	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O	ZINC000466713535	1075381110	/nfs/dbraw/zinc/38/11/10/1075381110.db2.gz	OPNKHDYKJVTALJ-GDBMZVCRSA-N	1	1	405.520	1.878	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1	ZINC000804091085	1075385290	/nfs/dbraw/zinc/38/52/90/1075385290.db2.gz	WFFAGJHNJUYASF-HOTGVXAUSA-N	1	1	410.559	1.929	20	0		HDADMO
CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)C2=O	ZINC000676113482	1075386620	/nfs/dbraw/zinc/38/66/20/1075386620.db2.gz	SFTJFGWEROMSIA-JTSKRJEESA-N	1	1	420.554	1.591	20	0		HDADMO
COc1cccc(CCC[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001035451079	1075387442	/nfs/dbraw/zinc/38/74/42/1075387442.db2.gz	BGWBWGJTOHXION-NALHQMNBSA-N	1	1	400.519	1.868	20	0		HDADMO
COc1cccc(CCC[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001035451079	1075387450	/nfs/dbraw/zinc/38/74/50/1075387450.db2.gz	BGWBWGJTOHXION-NALHQMNBSA-N	1	1	400.519	1.868	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C	ZINC000804093951	1075392593	/nfs/dbraw/zinc/39/25/93/1075392593.db2.gz	QUIIIXCKTPPTHK-ZIAGYGMSSA-N	1	1	422.530	1.054	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=CC[N@@H+](C)CC1	ZINC000804093107	1075393771	/nfs/dbraw/zinc/39/37/71/1075393771.db2.gz	XFCWSSIDKVPZRO-BHYGNILZSA-N	1	1	408.543	1.705	20	0		HDADMO
CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)C2=O	ZINC000676145207	1075398233	/nfs/dbraw/zinc/39/82/33/1075398233.db2.gz	FHDARJRJEBGSSB-IERDGZPVSA-N	1	1	406.527	1.200	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1	ZINC000676147479	1075398562	/nfs/dbraw/zinc/39/85/62/1075398562.db2.gz	HLZYGIDFROQEPA-AOMKIAJQSA-N	1	1	419.570	1.162	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1	ZINC000676147479	1075398566	/nfs/dbraw/zinc/39/85/66/1075398566.db2.gz	HLZYGIDFROQEPA-AOMKIAJQSA-N	1	1	419.570	1.162	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)n2)cc1	ZINC000441749351	1075410062	/nfs/dbraw/zinc/41/00/62/1075410062.db2.gz	KFENVAQFXWDIIX-UHFFFAOYSA-N	1	1	400.527	2.088	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H]1c1ccc(O)cc1	ZINC000676187254	1075418115	/nfs/dbraw/zinc/41/81/15/1075418115.db2.gz	ALHZTEBTNROSSK-VQTJNVASSA-N	1	1	401.507	1.769	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000446749307	1075424110	/nfs/dbraw/zinc/42/41/10/1075424110.db2.gz	ZOTACPOQQVVKBO-GOOCMWNKSA-N	1	1	400.458	1.785	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)nn1	ZINC000551417224	1075427507	/nfs/dbraw/zinc/42/75/07/1075427507.db2.gz	WPSICODXVBWVHP-MRXNPFEDSA-N	1	1	413.478	1.776	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)[C@H]1C(C)C	ZINC000429404869	1075428998	/nfs/dbraw/zinc/42/89/98/1075428998.db2.gz	VKAFFOLHEXADLE-UNMCSNQZSA-N	1	1	417.550	1.655	20	0		HDADMO
CCc1c(NC(=O)NCCCCN2CC[NH+](CCO)CC2)cnn1-c1ccccc1	ZINC000466718790	1075433356	/nfs/dbraw/zinc/43/33/56/1075433356.db2.gz	PENOQZLJFOUGNB-UHFFFAOYSA-N	1	1	414.554	1.946	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1	ZINC000731657188	1075440257	/nfs/dbraw/zinc/44/02/57/1075440257.db2.gz	YQOKOOOEEZIUIT-QGZVFWFLSA-N	1	1	423.521	1.910	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)s1	ZINC000676242168	1075444704	/nfs/dbraw/zinc/44/47/04/1075444704.db2.gz	RDTYTBIZLWKJJR-ZFWWWQNUSA-N	1	1	418.585	1.297	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)s1	ZINC000676242168	1075444711	/nfs/dbraw/zinc/44/47/11/1075444711.db2.gz	RDTYTBIZLWKJJR-ZFWWWQNUSA-N	1	1	418.585	1.297	20	0		HDADMO
C[C@@H](NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@H]1C[N@H+](C)CCO1	ZINC000676245286	1075447432	/nfs/dbraw/zinc/44/74/32/1075447432.db2.gz	LADSEWSSMAWPER-RHSMWYFYSA-N	1	1	417.535	1.591	20	0		HDADMO
C[C@@H](NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@H]1C[N@@H+](C)CCO1	ZINC000676245286	1075447433	/nfs/dbraw/zinc/44/74/33/1075447433.db2.gz	LADSEWSSMAWPER-RHSMWYFYSA-N	1	1	417.535	1.591	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1C[N@H+](C)CCO1	ZINC000676255793	1075450860	/nfs/dbraw/zinc/45/08/60/1075450860.db2.gz	LHUIDLLXXZPNRK-XJKSGUPXSA-N	1	1	405.524	1.974	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676255793	1075450866	/nfs/dbraw/zinc/45/08/66/1075450866.db2.gz	LHUIDLLXXZPNRK-XJKSGUPXSA-N	1	1	405.524	1.974	20	0		HDADMO
C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676257814	1075452673	/nfs/dbraw/zinc/45/26/73/1075452673.db2.gz	KKUWHJPRICUSJA-IUODEOHRSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257814	1075452674	/nfs/dbraw/zinc/45/26/74/1075452674.db2.gz	KKUWHJPRICUSJA-IUODEOHRSA-N	1	1	413.316	1.796	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1	ZINC000676257776	1075452700	/nfs/dbraw/zinc/45/27/00/1075452700.db2.gz	JTFUUOPBMQBFPA-JCURWCKSSA-N	1	1	412.328	1.852	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1	ZINC000676257776	1075452702	/nfs/dbraw/zinc/45/27/02/1075452702.db2.gz	JTFUUOPBMQBFPA-JCURWCKSSA-N	1	1	412.328	1.852	20	0		HDADMO
C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258658	1075455294	/nfs/dbraw/zinc/45/52/94/1075455294.db2.gz	VOBDVMMVDNNPNS-YOEHRIQHSA-N	1	1	401.504	1.062	20	0		HDADMO
C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258658	1075455298	/nfs/dbraw/zinc/45/52/98/1075455298.db2.gz	VOBDVMMVDNNPNS-YOEHRIQHSA-N	1	1	401.504	1.062	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259384	1075456989	/nfs/dbraw/zinc/45/69/89/1075456989.db2.gz	LHUJRNZIGCHNIY-DAYGRLMNSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259384	1075456991	/nfs/dbraw/zinc/45/69/91/1075456991.db2.gz	LHUJRNZIGCHNIY-DAYGRLMNSA-N	1	1	413.515	1.062	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H](C)[C@@H]3CN(C)CCO3)cc2)CC1	ZINC000676261585	1075459990	/nfs/dbraw/zinc/45/99/90/1075459990.db2.gz	WYHHQXFOCDWRSM-APWZRJJASA-N	1	1	403.527	1.305	20	0		HDADMO
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676262200	1075460620	/nfs/dbraw/zinc/46/06/20/1075460620.db2.gz	WCHRBECWXUBPLK-YLJYHZDGSA-N	1	1	423.579	1.629	20	0		HDADMO
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262200	1075460622	/nfs/dbraw/zinc/46/06/22/1075460622.db2.gz	WCHRBECWXUBPLK-YLJYHZDGSA-N	1	1	423.579	1.629	20	0		HDADMO
COc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1-n1nnnc1C1CC1	ZINC000676265001	1075463353	/nfs/dbraw/zinc/46/33/53/1075463353.db2.gz	HICMIEQYINAKJO-PXAZEXFGSA-N	1	1	401.471	1.389	20	0		HDADMO
COc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1-n1nnnc1C1CC1	ZINC000676265001	1075463357	/nfs/dbraw/zinc/46/33/57/1075463357.db2.gz	HICMIEQYINAKJO-PXAZEXFGSA-N	1	1	401.471	1.389	20	0		HDADMO
COc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1-n1nnnc1C1CC1	ZINC000676265005	1075463392	/nfs/dbraw/zinc/46/33/92/1075463392.db2.gz	HICMIEQYINAKJO-YVEFUNNKSA-N	1	1	401.471	1.389	20	0		HDADMO
COc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1-n1nnnc1C1CC1	ZINC000676265005	1075463396	/nfs/dbraw/zinc/46/33/96/1075463396.db2.gz	HICMIEQYINAKJO-YVEFUNNKSA-N	1	1	401.471	1.389	20	0		HDADMO
C[C@@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1	ZINC000731680740	1075464244	/nfs/dbraw/zinc/46/42/44/1075464244.db2.gz	UUTGZJVPNWXDMY-KRWDZBQOSA-N	1	1	422.595	1.241	20	0		HDADMO
O=C(NCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccn[nH]1	ZINC000509395065	1075464400	/nfs/dbraw/zinc/46/44/00/1075464400.db2.gz	UHHQUIAIIPBSNF-SFHVURJKSA-N	1	1	409.412	1.710	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676248706	1075465397	/nfs/dbraw/zinc/46/53/97/1075465397.db2.gz	WDHVBMHRMWQULP-MAUKXSAKSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248706	1075465403	/nfs/dbraw/zinc/46/54/03/1075465403.db2.gz	WDHVBMHRMWQULP-MAUKXSAKSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248577	1075465957	/nfs/dbraw/zinc/46/59/57/1075465957.db2.gz	FRGHXBPAACAVHY-GJYPPUQNSA-N	1	1	403.527	1.632	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248577	1075465960	/nfs/dbraw/zinc/46/59/60/1075465960.db2.gz	FRGHXBPAACAVHY-GJYPPUQNSA-N	1	1	403.527	1.632	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676249258	1075466001	/nfs/dbraw/zinc/46/60/01/1075466001.db2.gz	NFBLPQXFWZZWMJ-CRAIPNDOSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676249258	1075466004	/nfs/dbraw/zinc/46/60/04/1075466004.db2.gz	NFBLPQXFWZZWMJ-CRAIPNDOSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676250735	1075467919	/nfs/dbraw/zinc/46/79/19/1075467919.db2.gz	IVXZYOLAXJASQL-AZUAARDMSA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250735	1075467921	/nfs/dbraw/zinc/46/79/21/1075467921.db2.gz	IVXZYOLAXJASQL-AZUAARDMSA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676250636	1075467963	/nfs/dbraw/zinc/46/79/63/1075467963.db2.gz	HLMJZTIMDXWOQP-QFBILLFUSA-N	1	1	406.502	1.331	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250636	1075467966	/nfs/dbraw/zinc/46/79/66/1075467966.db2.gz	HLMJZTIMDXWOQP-QFBILLFUSA-N	1	1	406.502	1.331	20	0		HDADMO
CC[C@@H]1CCCCCN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000435054165	1075468340	/nfs/dbraw/zinc/46/83/40/1075468340.db2.gz	ATRMBSHHWQMFTE-MRXNPFEDSA-N	1	1	414.510	2.467	20	0		HDADMO
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676252187	1075469456	/nfs/dbraw/zinc/46/94/56/1075469456.db2.gz	PZDCITPDHXHNJO-FRQCXROJSA-N	1	1	421.517	1.199	20	0		HDADMO
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676252187	1075469459	/nfs/dbraw/zinc/46/94/59/1075469459.db2.gz	PZDCITPDHXHNJO-FRQCXROJSA-N	1	1	421.517	1.199	20	0		HDADMO
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676252186	1075469543	/nfs/dbraw/zinc/46/95/43/1075469543.db2.gz	PZDCITPDHXHNJO-FCEWJHQRSA-N	1	1	421.517	1.199	20	0		HDADMO
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676252186	1075469548	/nfs/dbraw/zinc/46/95/48/1075469548.db2.gz	PZDCITPDHXHNJO-FCEWJHQRSA-N	1	1	421.517	1.199	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252249	1075469695	/nfs/dbraw/zinc/46/96/95/1075469695.db2.gz	QSRFOZMOOUPHEN-QAPCUYQASA-N	1	1	408.568	1.548	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252249	1075469699	/nfs/dbraw/zinc/46/96/99/1075469699.db2.gz	QSRFOZMOOUPHEN-QAPCUYQASA-N	1	1	408.568	1.548	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252718	1075470681	/nfs/dbraw/zinc/47/06/81/1075470681.db2.gz	SDRXVNACAMPWCI-CRAIPNDOSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252718	1075470688	/nfs/dbraw/zinc/47/06/88/1075470688.db2.gz	SDRXVNACAMPWCI-CRAIPNDOSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676254147	1075471184	/nfs/dbraw/zinc/47/11/84/1075471184.db2.gz	DESFIJJUHJGIIY-MDZRGWNJSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676254147	1075471188	/nfs/dbraw/zinc/47/11/88/1075471188.db2.gz	DESFIJJUHJGIIY-MDZRGWNJSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676255032	1075472335	/nfs/dbraw/zinc/47/23/35/1075472335.db2.gz	RHQZAJNMIXIBHG-LPHOPBHVSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676255032	1075472345	/nfs/dbraw/zinc/47/23/45/1075472345.db2.gz	RHQZAJNMIXIBHG-LPHOPBHVSA-N	1	1	424.567	1.948	20	0		HDADMO
CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676277917	1075476989	/nfs/dbraw/zinc/47/69/89/1075476989.db2.gz	DGIOZOHTWMJEAP-GUYCJALGSA-N	1	1	413.902	1.529	20	0		HDADMO
CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277917	1075476991	/nfs/dbraw/zinc/47/69/91/1075476991.db2.gz	DGIOZOHTWMJEAP-GUYCJALGSA-N	1	1	413.902	1.529	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OCC(F)(F)F	ZINC000676277753	1075477037	/nfs/dbraw/zinc/47/70/37/1075477037.db2.gz	ATXNWBHTFSXTOC-ABAIWWIYSA-N	1	1	419.400	1.410	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OCC(F)(F)F	ZINC000676277753	1075477038	/nfs/dbraw/zinc/47/70/38/1075477038.db2.gz	ATXNWBHTFSXTOC-ABAIWWIYSA-N	1	1	419.400	1.410	20	0		HDADMO
CC(C)OCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676278210	1075478129	/nfs/dbraw/zinc/47/81/29/1075478129.db2.gz	FYCQKIHSGIBSIG-LPHOPBHVSA-N	1	1	407.511	1.402	20	0		HDADMO
CC(C)OCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676278210	1075478134	/nfs/dbraw/zinc/47/81/34/1075478134.db2.gz	FYCQKIHSGIBSIG-LPHOPBHVSA-N	1	1	407.511	1.402	20	0		HDADMO
COCCC[N@H+](C)CCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766171862	1075478792	/nfs/dbraw/zinc/47/87/92/1075478792.db2.gz	BQYDYPANXRLUOF-OAHLLOKOSA-N	1	1	421.585	1.031	20	0		HDADMO
COCCC[N@@H+](C)CCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766171862	1075478800	/nfs/dbraw/zinc/47/88/00/1075478800.db2.gz	BQYDYPANXRLUOF-OAHLLOKOSA-N	1	1	421.585	1.031	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1NC(=O)c1ccco1	ZINC000676278407	1075481408	/nfs/dbraw/zinc/48/14/08/1075481408.db2.gz	HMRGXPBABWWSCN-KBXCAEBGSA-N	1	1	414.462	1.614	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1NC(=O)c1ccco1	ZINC000676278407	1075481411	/nfs/dbraw/zinc/48/14/11/1075481411.db2.gz	HMRGXPBABWWSCN-KBXCAEBGSA-N	1	1	414.462	1.614	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1C[N@H+](C)CCO1	ZINC000676280007	1075482220	/nfs/dbraw/zinc/48/22/20/1075482220.db2.gz	SKSMLFSYNJNUNG-IINYFYTJSA-N	1	1	414.275	1.313	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1C[N@@H+](C)CCO1	ZINC000676280007	1075482224	/nfs/dbraw/zinc/48/22/24/1075482224.db2.gz	SKSMLFSYNJNUNG-IINYFYTJSA-N	1	1	414.275	1.313	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1C[N@H+](C)CCO1	ZINC000676279953	1075482230	/nfs/dbraw/zinc/48/22/30/1075482230.db2.gz	RIGXTSVJSLTBRM-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1C[N@@H+](C)CCO1	ZINC000676279953	1075482235	/nfs/dbraw/zinc/48/22/35/1075482235.db2.gz	RIGXTSVJSLTBRM-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280062	1075482650	/nfs/dbraw/zinc/48/26/50/1075482650.db2.gz	QWJCQENOHDWICD-RDTXWAMCSA-N	1	1	402.495	1.133	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280062	1075482653	/nfs/dbraw/zinc/48/26/53/1075482653.db2.gz	QWJCQENOHDWICD-RDTXWAMCSA-N	1	1	402.495	1.133	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1C[N@H+](C)CCO1	ZINC000676279587	1075483841	/nfs/dbraw/zinc/48/38/41/1075483841.db2.gz	DHCSEGAYMZWXDF-CMPLNLGQSA-N	1	1	422.379	1.135	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279587	1075483843	/nfs/dbraw/zinc/48/38/43/1075483843.db2.gz	DHCSEGAYMZWXDF-CMPLNLGQSA-N	1	1	422.379	1.135	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(Br)c1	ZINC000676279440	1075484523	/nfs/dbraw/zinc/48/45/23/1075484523.db2.gz	NPDKSCQSDFXCEF-IINYFYTJSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(Br)c1	ZINC000676279440	1075484526	/nfs/dbraw/zinc/48/45/26/1075484526.db2.gz	NPDKSCQSDFXCEF-IINYFYTJSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676281152	1075485068	/nfs/dbraw/zinc/48/50/68/1075485068.db2.gz	XNGPAFUVVUZHJK-CXAGYDPISA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281152	1075485070	/nfs/dbraw/zinc/48/50/70/1075485070.db2.gz	XNGPAFUVVUZHJK-CXAGYDPISA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[C@H]1C[N@H+](C)CCO1	ZINC000676280347	1075487190	/nfs/dbraw/zinc/48/71/90/1075487190.db2.gz	RXLDCSWZAAYRBZ-BDJLRTHQSA-N	1	1	417.441	1.527	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280347	1075487193	/nfs/dbraw/zinc/48/71/93/1075487193.db2.gz	RXLDCSWZAAYRBZ-BDJLRTHQSA-N	1	1	417.441	1.527	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281688	1075488320	/nfs/dbraw/zinc/48/83/20/1075488320.db2.gz	OIVFVGDWKCEKHQ-APWZRJJASA-N	1	1	412.490	1.477	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281688	1075488327	/nfs/dbraw/zinc/48/83/27/1075488327.db2.gz	OIVFVGDWKCEKHQ-APWZRJJASA-N	1	1	412.490	1.477	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1ccncc1OCC(F)(F)F	ZINC000466725187	1075488597	/nfs/dbraw/zinc/48/85/97/1075488597.db2.gz	QYPMMDXEZLKIQW-ZDUSSCGKSA-N	1	1	403.405	1.162	20	0		HDADMO
COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676282255	1075489277	/nfs/dbraw/zinc/48/92/77/1075489277.db2.gz	ZSVPYBVHXIZILW-HZMBPMFUSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676282255	1075489279	/nfs/dbraw/zinc/48/92/79/1075489279.db2.gz	ZSVPYBVHXIZILW-HZMBPMFUSA-N	1	1	400.273	1.232	20	0		HDADMO
CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676288070	1075491455	/nfs/dbraw/zinc/49/14/55/1075491455.db2.gz	KNNDCEGLIQDESH-JXFKEZNVSA-N	1	1	418.538	1.708	20	0		HDADMO
CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676288070	1075491459	/nfs/dbraw/zinc/49/14/59/1075491459.db2.gz	KNNDCEGLIQDESH-JXFKEZNVSA-N	1	1	418.538	1.708	20	0		HDADMO
C[C@@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676286751	1075491474	/nfs/dbraw/zinc/49/14/74/1075491474.db2.gz	FFKXIKPMBOUHTP-HLLBOEOZSA-N	1	1	406.552	1.634	20	0		HDADMO
C[C@@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676286751	1075491479	/nfs/dbraw/zinc/49/14/79/1075491479.db2.gz	FFKXIKPMBOUHTP-HLLBOEOZSA-N	1	1	406.552	1.634	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676288836	1075492691	/nfs/dbraw/zinc/49/26/91/1075492691.db2.gz	SORZHXGWEKESPQ-LPHOPBHVSA-N	1	1	424.567	1.166	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676288836	1075492694	/nfs/dbraw/zinc/49/26/94/1075492694.db2.gz	SORZHXGWEKESPQ-LPHOPBHVSA-N	1	1	424.567	1.166	20	0		HDADMO
Cc1cc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c(C)s1	ZINC000676308630	1075493622	/nfs/dbraw/zinc/49/36/22/1075493622.db2.gz	XPEOPAVDSPCEPZ-UHFFFAOYSA-N	1	1	423.564	1.502	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[C@@H]1C[N@H+](C)CCO1	ZINC000676289856	1075494402	/nfs/dbraw/zinc/49/44/02/1075494402.db2.gz	JLWMDRQQPFMLFJ-VZYKRBATSA-N	1	1	407.511	1.552	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[C@@H]1C[N@@H+](C)CCO1	ZINC000676289856	1075494404	/nfs/dbraw/zinc/49/44/04/1075494404.db2.gz	JLWMDRQQPFMLFJ-VZYKRBATSA-N	1	1	407.511	1.552	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(C)c1	ZINC000676289331	1075494833	/nfs/dbraw/zinc/49/48/33/1075494833.db2.gz	FKIQOTWSIXWTGR-GUDVDZBRSA-N	1	1	423.579	1.600	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(C)c1	ZINC000676289331	1075494838	/nfs/dbraw/zinc/49/48/38/1075494838.db2.gz	FKIQOTWSIXWTGR-GUDVDZBRSA-N	1	1	423.579	1.600	20	0		HDADMO
C[C@@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676293060	1075496691	/nfs/dbraw/zinc/49/66/91/1075496691.db2.gz	SHRYYSWWEMVDFU-CRAIPNDOSA-N	1	1	423.945	1.007	20	0		HDADMO
C[C@@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676293060	1075496695	/nfs/dbraw/zinc/49/66/95/1075496695.db2.gz	SHRYYSWWEMVDFU-CRAIPNDOSA-N	1	1	423.945	1.007	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC[N@@H+]1CCO	ZINC000429420334	1075496675	/nfs/dbraw/zinc/49/66/75/1075496675.db2.gz	SLEFCYRUCLSVCL-DOTOQJQBSA-N	1	1	411.524	1.170	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC[N@H+]1CCO	ZINC000429420334	1075496680	/nfs/dbraw/zinc/49/66/80/1075496680.db2.gz	SLEFCYRUCLSVCL-DOTOQJQBSA-N	1	1	411.524	1.170	20	0		HDADMO
CCC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)N1CCc2sccc2C1	ZINC000676292687	1075496956	/nfs/dbraw/zinc/49/69/56/1075496956.db2.gz	NLHQAJVQJXAKGX-XIRDDKMYSA-N	1	1	408.568	1.820	20	0		HDADMO
CCC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)N1CCc2sccc2C1	ZINC000676292687	1075496959	/nfs/dbraw/zinc/49/69/59/1075496959.db2.gz	NLHQAJVQJXAKGX-XIRDDKMYSA-N	1	1	408.568	1.820	20	0		HDADMO
C[C@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676298466	1075500801	/nfs/dbraw/zinc/50/08/01/1075500801.db2.gz	XQGQHBLQTNMVJX-PXNSSMCTSA-N	1	1	402.539	1.486	20	0		HDADMO
C[C@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676298466	1075500805	/nfs/dbraw/zinc/50/08/05/1075500805.db2.gz	XQGQHBLQTNMVJX-PXNSSMCTSA-N	1	1	402.539	1.486	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1C[N@H+](C)CCO1	ZINC000676303988	1075501800	/nfs/dbraw/zinc/50/18/00/1075501800.db2.gz	IOCRODKGRVFPSN-YWPYICTPSA-N	1	1	406.310	1.751	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1C[N@@H+](C)CCO1	ZINC000676303988	1075501806	/nfs/dbraw/zinc/50/18/06/1075501806.db2.gz	IOCRODKGRVFPSN-YWPYICTPSA-N	1	1	406.310	1.751	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676303737	1075502229	/nfs/dbraw/zinc/50/22/29/1075502229.db2.gz	HZWSQJHJUHWVID-KSSFIOAISA-N	1	1	422.507	1.599	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676303737	1075502232	/nfs/dbraw/zinc/50/22/32/1075502232.db2.gz	HZWSQJHJUHWVID-KSSFIOAISA-N	1	1	422.507	1.599	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676304005	1075502299	/nfs/dbraw/zinc/50/22/99/1075502299.db2.gz	ITGJBZRODAHVHH-ZFWWWQNUSA-N	1	1	406.508	1.681	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676304005	1075502303	/nfs/dbraw/zinc/50/23/03/1075502303.db2.gz	ITGJBZRODAHVHH-ZFWWWQNUSA-N	1	1	406.508	1.681	20	0		HDADMO
C[C@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676304325	1075503092	/nfs/dbraw/zinc/50/30/92/1075503092.db2.gz	KVIVFLJYRGAWDH-YOEHRIQHSA-N	1	1	400.483	1.740	20	0		HDADMO
C[C@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676304325	1075503096	/nfs/dbraw/zinc/50/30/96/1075503096.db2.gz	KVIVFLJYRGAWDH-YOEHRIQHSA-N	1	1	400.483	1.740	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc(OC)c1	ZINC000676307168	1075503949	/nfs/dbraw/zinc/50/39/49/1075503949.db2.gz	ZBGDSHNYFJEJRR-OXQOHEQNSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc(OC)c1	ZINC000676307168	1075503950	/nfs/dbraw/zinc/50/39/50/1075503950.db2.gz	ZBGDSHNYFJEJRR-OXQOHEQNSA-N	1	1	406.527	1.250	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)nn2)CC[N@@H+]1Cc1ccccc1	ZINC000556560421	1075504545	/nfs/dbraw/zinc/50/45/45/1075504545.db2.gz	GKHRHFSOPMBRHZ-SFHVURJKSA-N	1	1	411.506	2.325	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)nn2)CC[N@H+]1Cc1ccccc1	ZINC000556560421	1075504550	/nfs/dbraw/zinc/50/45/50/1075504550.db2.gz	GKHRHFSOPMBRHZ-SFHVURJKSA-N	1	1	411.506	2.325	20	0		HDADMO
CC(C)(C)N1CC[C@@H]([NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1=O	ZINC001035754035	1075505556	/nfs/dbraw/zinc/50/55/56/1075505556.db2.gz	BIBHNYGYUFWWOD-LHIBYTEYSA-N	1	1	401.551	1.734	20	0		HDADMO
O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1	ZINC000676317119	1075506067	/nfs/dbraw/zinc/50/60/67/1075506067.db2.gz	WVFYMPSVVBXIED-OAHLLOKOSA-N	1	1	424.427	1.631	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676334485	1075510490	/nfs/dbraw/zinc/51/04/90/1075510490.db2.gz	XKRITRKXUDPXDX-LPHOPBHVSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676334485	1075510498	/nfs/dbraw/zinc/51/04/98/1075510498.db2.gz	XKRITRKXUDPXDX-LPHOPBHVSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[N@@H+](C)C1	ZINC000676336488	1075511379	/nfs/dbraw/zinc/51/13/79/1075511379.db2.gz	RGQUAZIVGZRSHA-QWHCGFSZSA-N	1	1	407.458	1.830	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000731754703	1075511849	/nfs/dbraw/zinc/51/18/49/1075511849.db2.gz	AHUBOKSWIZLKOA-GJZGRUSLSA-N	1	1	412.487	1.350	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1	ZINC000676337584	1075512064	/nfs/dbraw/zinc/51/20/64/1075512064.db2.gz	ZCEANYKPFTVLIQ-UHFFFAOYSA-N	1	1	414.510	1.589	20	0		HDADMO
O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000676342672	1075515991	/nfs/dbraw/zinc/51/59/91/1075515991.db2.gz	RUGHICDKJHEAOS-HNNXBMFYSA-N	1	1	420.453	1.498	20	0		HDADMO
O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000676342611	1075516016	/nfs/dbraw/zinc/51/60/16/1075516016.db2.gz	RIDDVECCEQFJGC-DLBZAZTESA-N	1	1	420.897	1.478	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676332258	1075521719	/nfs/dbraw/zinc/52/17/19/1075521719.db2.gz	KQPCIPHSWCVJOQ-JLJPHGGASA-N	1	1	411.449	1.728	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676332258	1075521721	/nfs/dbraw/zinc/52/17/21/1075521721.db2.gz	KQPCIPHSWCVJOQ-JLJPHGGASA-N	1	1	411.449	1.728	20	0		HDADMO
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(OC)c1	ZINC000676332232	1075521726	/nfs/dbraw/zinc/52/17/26/1075521726.db2.gz	JVTSZQXHQZJKNW-YJLNNSPDSA-N	1	1	405.495	1.144	20	0		HDADMO
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OC)c1	ZINC000676332232	1075521728	/nfs/dbraw/zinc/52/17/28/1075521728.db2.gz	JVTSZQXHQZJKNW-YJLNNSPDSA-N	1	1	405.495	1.144	20	0		HDADMO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676333179	1075522251	/nfs/dbraw/zinc/52/22/51/1075522251.db2.gz	XXTHMIXCUPNLSJ-MZMPZRCHSA-N	1	1	409.914	1.789	20	0		HDADMO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676333179	1075522257	/nfs/dbraw/zinc/52/22/57/1075522257.db2.gz	XXTHMIXCUPNLSJ-MZMPZRCHSA-N	1	1	409.914	1.789	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000731808577	1075527053	/nfs/dbraw/zinc/52/70/53/1075527053.db2.gz	AUOSTYUCJLBEGU-IAGOWNOFSA-N	1	1	411.499	1.203	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1	ZINC000676370425	1075536447	/nfs/dbraw/zinc/53/64/47/1075536447.db2.gz	GZRVCACQBCKHLT-SFHVURJKSA-N	1	1	410.474	1.831	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1Cc2ccccc2C(F)(F)C1	ZINC000676376634	1075537465	/nfs/dbraw/zinc/53/74/65/1075537465.db2.gz	ZJAGKIHHHTZXPT-GOSISDBHSA-N	1	1	407.461	1.834	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)[C@H]1C[N@H+](C)CCO1	ZINC000676401882	1075544240	/nfs/dbraw/zinc/54/42/40/1075544240.db2.gz	GIJYJXGTNUTOCY-URLQWDBASA-N	1	1	418.494	1.289	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)[C@H]1C[N@@H+](C)CCO1	ZINC000676401882	1075544244	/nfs/dbraw/zinc/54/42/44/1075544244.db2.gz	GIJYJXGTNUTOCY-URLQWDBASA-N	1	1	418.494	1.289	20	0		HDADMO
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676401661	1075544295	/nfs/dbraw/zinc/54/42/95/1075544295.db2.gz	AYUAMILTXRSCRX-IUODEOHRSA-N	1	1	403.483	1.089	20	0		HDADMO
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676401661	1075544298	/nfs/dbraw/zinc/54/42/98/1075544298.db2.gz	AYUAMILTXRSCRX-IUODEOHRSA-N	1	1	403.483	1.089	20	0		HDADMO
CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccn1	ZINC000676406838	1075544949	/nfs/dbraw/zinc/54/49/49/1075544949.db2.gz	ZGPZQJPQBUNIGG-HKUYNNGSSA-N	1	1	417.554	1.114	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC000731873952	1075549449	/nfs/dbraw/zinc/54/94/49/1075549449.db2.gz	XWTWMMIKMPHGQF-KKSFZXQISA-N	1	1	402.495	1.453	20	0		HDADMO
CC(C)[N@H+]1CCC[C@H](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804149545	1075551776	/nfs/dbraw/zinc/55/17/76/1075551776.db2.gz	PPFNSQYUNHMZEV-MGPUTAFESA-N	1	1	407.536	1.978	20	0		HDADMO
C[NH+]1CCN(CC(=O)Nc2nc(CN3CCN(c4nccs4)CC3)cs2)CC1	ZINC000676458278	1075554194	/nfs/dbraw/zinc/55/41/94/1075554194.db2.gz	MGFCETVDUYZNOU-UHFFFAOYSA-N	1	1	421.596	1.108	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	ZINC000731885855	1075555815	/nfs/dbraw/zinc/55/58/15/1075555815.db2.gz	YFIHLCWIXQHWGQ-UHFFFAOYSA-N	1	1	403.502	1.400	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000731900274	1075562537	/nfs/dbraw/zinc/56/25/37/1075562537.db2.gz	MQOMBSHZXFZQGW-OAHLLOKOSA-N	1	1	409.918	1.509	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1	ZINC000676497821	1075569500	/nfs/dbraw/zinc/56/95/00/1075569500.db2.gz	JLZBPLIFZQWNBY-IBGZPJMESA-N	1	1	410.584	1.903	20	0		HDADMO
CCn1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C1CC1	ZINC000469245711	1075570581	/nfs/dbraw/zinc/57/05/81/1075570581.db2.gz	IHAUUURYNRKGGU-SFHVURJKSA-N	1	1	409.534	2.400	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)CCc2c(C)nc3ncnn3c2C)CC1	ZINC000731919197	1075571490	/nfs/dbraw/zinc/57/14/90/1075571490.db2.gz	MAQURFJWFIRLTR-UHFFFAOYSA-N	1	1	403.483	1.492	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N[C@H](CO)CC(C)(C)C)cc1	ZINC000676518552	1075575935	/nfs/dbraw/zinc/57/59/35/1075575935.db2.gz	FDCZUJUKFAWMAV-SFHVURJKSA-N	1	1	419.570	1.815	20	0		HDADMO
C[C@@H]1COCCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000676520174	1075576016	/nfs/dbraw/zinc/57/60/16/1075576016.db2.gz	UVGLVQALMASGDE-MRXNPFEDSA-N	1	1	410.540	1.656	20	0		HDADMO
C[C@@H]1COCCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000676520174	1075576019	/nfs/dbraw/zinc/57/60/19/1075576019.db2.gz	UVGLVQALMASGDE-MRXNPFEDSA-N	1	1	410.540	1.656	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2	ZINC000676521996	1075576532	/nfs/dbraw/zinc/57/65/32/1075576532.db2.gz	DRMUZFYZISRSQH-JTDSTZFVSA-N	1	1	419.522	1.641	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)CC1	ZINC000731967998	1075579201	/nfs/dbraw/zinc/57/92/01/1075579201.db2.gz	DLELJLHJURTBDG-UHFFFAOYSA-N	1	1	401.479	1.673	20	0		HDADMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1	ZINC000676541852	1075580696	/nfs/dbraw/zinc/58/06/96/1075580696.db2.gz	UVRYXKYUKHTMGN-CQSZACIVSA-N	1	1	400.520	1.640	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2ccccc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446852189	1075585321	/nfs/dbraw/zinc/58/53/21/1075585321.db2.gz	MXEQWNQBOKLSIV-FQEVSTJZSA-N	1	1	403.486	2.544	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446850191	1075586080	/nfs/dbraw/zinc/58/60/80/1075586080.db2.gz	WOPZFRZQYFYGCC-OAHLLOKOSA-N	1	1	409.412	2.117	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676545556	1075592495	/nfs/dbraw/zinc/59/24/95/1075592495.db2.gz	VZFNVRVCWYVAEB-LJQANCHMSA-N	1	1	404.474	1.656	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1	ZINC000732058138	1075597339	/nfs/dbraw/zinc/59/73/39/1075597339.db2.gz	WLRKFQWLDZGZMM-UQCOIBPSSA-N	1	1	411.481	1.532	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1	ZINC000676568097	1075598323	/nfs/dbraw/zinc/59/83/23/1075598323.db2.gz	BDRNTQHOMVSDRD-AWEZNQCLSA-N	1	1	415.460	1.947	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1	ZINC000676568097	1075598328	/nfs/dbraw/zinc/59/83/28/1075598328.db2.gz	BDRNTQHOMVSDRD-AWEZNQCLSA-N	1	1	415.460	1.947	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)[NH+]2CCCC2)o1	ZINC000804176203	1075603623	/nfs/dbraw/zinc/60/36/23/1075603623.db2.gz	GJAUCSBXAWOYCI-ZWKOTPCHSA-N	1	1	419.522	1.843	20	0		HDADMO
C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@H+]1Cc1ccccc1	ZINC000446723746	1075605209	/nfs/dbraw/zinc/60/52/09/1075605209.db2.gz	VYCNKOFSQDTNPA-OAHLLOKOSA-N	1	1	423.439	2.507	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)[NH+]2CCCC2)o1	ZINC000804177044	1075608215	/nfs/dbraw/zinc/60/82/15/1075608215.db2.gz	YZEUIZNGCVXYDO-QZTJIDSGSA-N	1	1	413.522	1.981	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)[NH+]2CCCC2)o1	ZINC000804177045	1075608466	/nfs/dbraw/zinc/60/84/66/1075608466.db2.gz	YZEUIZNGCVXYDO-ROUUACIJSA-N	1	1	413.522	1.981	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCC[C@H]2C2OCCO2)[NH+]2CCCC2)o1	ZINC000804176449	1075608565	/nfs/dbraw/zinc/60/85/65/1075608565.db2.gz	OSJBPAVUQFWSNC-DLBZAZTESA-N	1	1	405.495	1.595	20	0		HDADMO
CN(CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)OC(C)(C)C	ZINC000804179614	1075609609	/nfs/dbraw/zinc/60/96/09/1075609609.db2.gz	JLALLRXXKMFPGD-QGZVFWFLSA-N	1	1	410.559	1.883	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)[NH+]2CCCC2)o1	ZINC000804179206	1075609993	/nfs/dbraw/zinc/60/99/93/1075609993.db2.gz	XTWJOFIFTRILSW-DOTOQJQBSA-N	1	1	407.511	1.747	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1	ZINC000732095341	1075610154	/nfs/dbraw/zinc/61/01/54/1075610154.db2.gz	FMFLOWHKTKIRIK-MRXNPFEDSA-N	1	1	421.519	1.178	20	0		HDADMO
Cn1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1	ZINC000441707535	1075610690	/nfs/dbraw/zinc/61/06/90/1075610690.db2.gz	MHWHMLNPVIVBLC-UHFFFAOYSA-N	1	1	409.412	2.158	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)NCCOc2ncccc2C(F)(F)F)CC1	ZINC000676605190	1075610835	/nfs/dbraw/zinc/61/08/35/1075610835.db2.gz	XHTRNQHRMUEGTI-UHFFFAOYSA-N	1	1	403.449	1.804	20	0		HDADMO
C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1C	ZINC000676594247	1075612908	/nfs/dbraw/zinc/61/29/08/1075612908.db2.gz	XQWWNKGWZHJTSR-GOEBONIOSA-N	1	1	406.493	1.708	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1	ZINC000676617059	1075617558	/nfs/dbraw/zinc/61/75/58/1075617558.db2.gz	BUKZXTJVEZRPKQ-UHFFFAOYSA-N	1	1	408.453	1.514	20	0		HDADMO
CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2c(N)noc2C)cc1OC	ZINC000568098795	1075618956	/nfs/dbraw/zinc/61/89/56/1075618956.db2.gz	TZTKUGFYPFPGRI-UHFFFAOYSA-N	1	1	412.512	1.773	20	0		HDADMO
CN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C	ZINC000804181332	1075620259	/nfs/dbraw/zinc/62/02/59/1075620259.db2.gz	HZXMKUJBWOYWDX-GOSISDBHSA-N	1	1	418.538	1.702	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1	ZINC000804181327	1075620300	/nfs/dbraw/zinc/62/03/00/1075620300.db2.gz	HZTFDAQWDUPCSA-AEFFLSMTSA-N	1	1	418.538	1.749	20	0		HDADMO
CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1	ZINC000732126946	1075630347	/nfs/dbraw/zinc/63/03/47/1075630347.db2.gz	AYKQWSPJUVOBKE-KWEPMOPPSA-N	1	1	407.536	1.785	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1	ZINC000606437486	1075640909	/nfs/dbraw/zinc/64/09/09/1075640909.db2.gz	UUMYKHOKFYVKKF-INIZCTEOSA-N	1	1	413.526	1.315	20	0		HDADMO
C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCc2nncn2C2CC2)C[C@H](C)O1	ZINC000429457097	1075643611	/nfs/dbraw/zinc/64/36/11/1075643611.db2.gz	VMCDXOPNHQAJOV-GJZGRUSLSA-N	1	1	412.494	1.477	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1	ZINC000732149494	1075649797	/nfs/dbraw/zinc/64/97/97/1075649797.db2.gz	JJOJFCCJDYDWDT-CQSZACIVSA-N	1	1	416.975	1.392	20	0		HDADMO
COc1cc(NC(=O)C(C)(C)C)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000732149540	1075649884	/nfs/dbraw/zinc/64/98/84/1075649884.db2.gz	LCFNZBHGTXYXAJ-CQSZACIVSA-N	1	1	406.527	1.664	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000732149281	1075650340	/nfs/dbraw/zinc/65/03/40/1075650340.db2.gz	GCLSCKUAQHSOFC-XMUSRXTASA-N	1	1	420.579	1.061	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1Cl	ZINC000732150137	1075650639	/nfs/dbraw/zinc/65/06/39/1075650639.db2.gz	XSSNEADDSDBODC-OAHLLOKOSA-N	1	1	416.975	1.346	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)CC2)cc1	ZINC000429458428	1075651150	/nfs/dbraw/zinc/65/11/50/1075651150.db2.gz	YEFOUGYPGIKFIP-HQRMLTQVSA-N	1	1	400.523	1.922	20	0		HDADMO
COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)OC(C)C	ZINC000676690483	1075652722	/nfs/dbraw/zinc/65/27/22/1075652722.db2.gz	LHAAZHXDXFONEO-LJQANCHMSA-N	1	1	421.538	1.193	20	0		HDADMO
CN(CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732188504	1075654493	/nfs/dbraw/zinc/65/44/93/1075654493.db2.gz	JWBWDQDNEYVGCZ-VGOFRKELSA-N	1	1	414.506	1.784	20	0		HDADMO
COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1	ZINC000676724678	1075660807	/nfs/dbraw/zinc/66/08/07/1075660807.db2.gz	FWAMGFWRRPLZML-SFHVURJKSA-N	1	1	415.538	1.445	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1	ZINC000732207253	1075665445	/nfs/dbraw/zinc/66/54/45/1075665445.db2.gz	NYQCXLMBFOGBOX-HOTGVXAUSA-N	1	1	412.490	1.995	20	0		HDADMO
COc1cc(OC)c(CNC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c(OC)c1	ZINC000732210137	1075667740	/nfs/dbraw/zinc/66/77/40/1075667740.db2.gz	GHXFZVGOKVOAJW-MRXNPFEDSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(OC)c(CNC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c(OC)c1	ZINC000732210137	1075667743	/nfs/dbraw/zinc/66/77/43/1075667743.db2.gz	GHXFZVGOKVOAJW-MRXNPFEDSA-N	1	1	419.522	1.806	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000732211105	1075668400	/nfs/dbraw/zinc/66/84/00/1075668400.db2.gz	JDFQKZJRBJAZSP-QGZVFWFLSA-N	1	1	418.563	1.509	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)c2cncnc2-c2ccccc2)C1	ZINC000558565873	1075671579	/nfs/dbraw/zinc/67/15/79/1075671579.db2.gz	DWOZESVKJATQKD-INIZCTEOSA-N	1	1	405.462	1.568	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)c2cncnc2-c2ccccc2)C1	ZINC000558565873	1075671580	/nfs/dbraw/zinc/67/15/80/1075671580.db2.gz	DWOZESVKJATQKD-INIZCTEOSA-N	1	1	405.462	1.568	20	0		HDADMO
CC(C)NC(=O)c1ccccc1NC(=O)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000732201426	1075674709	/nfs/dbraw/zinc/67/47/09/1075674709.db2.gz	AIVMYCWFPROQMU-IBGZPJMESA-N	1	1	415.582	1.865	20	0		HDADMO
COC(=O)c1cc(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc(C(=O)OC)c1	ZINC000507211099	1075677122	/nfs/dbraw/zinc/67/71/22/1075677122.db2.gz	NOLIYNFCZIDKQQ-UHFFFAOYSA-N	1	1	400.435	1.801	20	0		HDADMO
COc1cccc(C[N@H+]2CC3(CN(C(=O)OC(C)(C)C)C3)[C@@]3(CCNC3=O)C2)n1	ZINC001137528461	1075681684	/nfs/dbraw/zinc/68/16/84/1075681684.db2.gz	GJLRXWPBFXOEQJ-NRFANRHFSA-N	1	1	402.495	1.649	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1	ZINC000606436315	1075684269	/nfs/dbraw/zinc/68/42/69/1075684269.db2.gz	AAOHIWBVSYGWFE-SFHVURJKSA-N	1	1	411.554	1.868	20	0		HDADMO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCC[N@@H+]1CCC[C@H]1CO	ZINC000732229683	1075684409	/nfs/dbraw/zinc/68/44/09/1075684409.db2.gz	YEVVOGUJUZJBLQ-JKSUJKDBSA-N	1	1	418.991	1.531	20	0		HDADMO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCC[N@H+]1CCC[C@H]1CO	ZINC000732229683	1075684413	/nfs/dbraw/zinc/68/44/13/1075684413.db2.gz	YEVVOGUJUZJBLQ-JKSUJKDBSA-N	1	1	418.991	1.531	20	0		HDADMO
COc1ccc(Cl)cc1NC(=O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000219520490	1075684407	/nfs/dbraw/zinc/68/44/07/1075684407.db2.gz	JDTRQFZNNRYKPG-UHFFFAOYSA-N	1	1	408.930	1.917	20	0		HDADMO
COc1ccc(Cl)cc1NC(=O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1	ZINC000219520490	1075684412	/nfs/dbraw/zinc/68/44/12/1075684412.db2.gz	JDTRQFZNNRYKPG-UHFFFAOYSA-N	1	1	408.930	1.917	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1	ZINC000732233216	1075685439	/nfs/dbraw/zinc/68/54/39/1075685439.db2.gz	YGJBAFOFNJKUBI-OALUTQOASA-N	1	1	403.527	1.369	20	0		HDADMO
CCOC(=O)c1cc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1C	ZINC000509434010	1075687734	/nfs/dbraw/zinc/68/77/34/1075687734.db2.gz	WNXOCYFZTYRJCU-GOSISDBHSA-N	1	1	423.579	1.962	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)NCCN3C(=O)CSC3=O)CC2)oc1C	ZINC000732257701	1075688653	/nfs/dbraw/zinc/68/86/53/1075688653.db2.gz	YOVXXOSZUGNKMO-UHFFFAOYSA-N	1	1	409.512	1.498	20	0		HDADMO
Cc1nc(CN2CCC(CNC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)oc1C	ZINC000732257543	1075688713	/nfs/dbraw/zinc/68/87/13/1075688713.db2.gz	SATGTFFFDUYXNG-RBUKOAKNSA-N	1	1	405.543	1.666	20	0		HDADMO
C[NH+]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)CC1	ZINC000732257729	1075688734	/nfs/dbraw/zinc/68/87/34/1075688734.db2.gz	ZZJCAMLKFUTEPU-FOWTUZBSSA-N	1	1	422.938	1.740	20	0		HDADMO
Cc1cnn(C)c1S(=O)(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000509433532	1075689856	/nfs/dbraw/zinc/68/98/56/1075689856.db2.gz	DKLBWJHIAUHLRY-UHFFFAOYSA-N	1	1	422.551	1.697	20	0		HDADMO
CC[N@H+]1CCC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1	ZINC000543582690	1075692974	/nfs/dbraw/zinc/69/29/74/1075692974.db2.gz	WFLRTTJJFBQDAG-CYBMUJFWSA-N	1	1	423.457	1.712	20	0		HDADMO
CCO[C@@H]1C[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C12CCCCC2	ZINC000429464434	1075693040	/nfs/dbraw/zinc/69/30/40/1075693040.db2.gz	VXUYCXIUPGQNCP-VQTJNVASSA-N	1	1	410.603	1.804	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCS[C@H](C)[C@@H]1C	ZINC000509438135	1075694941	/nfs/dbraw/zinc/69/49/41/1075694941.db2.gz	LLUOZBGNUDJSQW-FGTMMUONSA-N	1	1	404.580	1.666	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCS1	ZINC000509438159	1075695249	/nfs/dbraw/zinc/69/52/49/1075695249.db2.gz	LUHYRESHHOXHTD-ICSRJNTNSA-N	1	1	418.607	1.913	20	0		HDADMO
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CC[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)[C@H]2C1	ZINC001084996403	1075696316	/nfs/dbraw/zinc/69/63/16/1075696316.db2.gz	GJIIXJJDYCJHRW-SPOLIRPYSA-N	1	1	402.539	1.677	20	0		HDADMO
C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NCc3nncn3C3CC3)c2)C[C@H](C)O1	ZINC000429468084	1075699678	/nfs/dbraw/zinc/69/96/78/1075699678.db2.gz	JYNATBGYTSFQHU-GJZGRUSLSA-N	1	1	412.494	1.477	20	0		HDADMO
COc1cc2[nH+]c(N[C@@H](C)Cn3ncc4ccccc4c3=O)nc(N)c2cc1OC	ZINC000487110521	1075703349	/nfs/dbraw/zinc/70/33/49/1075703349.db2.gz	QTZFOEANLBCGLG-LBPRGKRZSA-N	1	1	406.446	1.862	20	0		HDADMO
COc1cc2[nH+]c(N[C@H]3CCCN(Cc4ccccn4)C3=O)nc(N)c2cc1OC	ZINC000541275159	1075703387	/nfs/dbraw/zinc/70/33/87/1075703387.db2.gz	VLZWEWKDIKKEAJ-HNNXBMFYSA-N	1	1	408.462	1.649	20	0		HDADMO
C[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCN1c1ccccc1	ZINC000476670046	1075706498	/nfs/dbraw/zinc/70/64/98/1075706498.db2.gz	AFIRJNPXBVBPAP-MNEFBYGVSA-N	1	1	410.522	1.712	20	0		HDADMO
C[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCN1c1ccccc1	ZINC000476670046	1075706503	/nfs/dbraw/zinc/70/65/03/1075706503.db2.gz	AFIRJNPXBVBPAP-MNEFBYGVSA-N	1	1	410.522	1.712	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)CSc2nc(-c3ccccc3)no2)CC1	ZINC000543586426	1075707571	/nfs/dbraw/zinc/70/75/71/1075707571.db2.gz	AMYKMZXXKWSPGX-UHFFFAOYSA-N	1	1	403.508	1.498	20	0		HDADMO
O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000732339855	1075709668	/nfs/dbraw/zinc/70/96/68/1075709668.db2.gz	SGWDXYOAVFBNJA-UHFFFAOYSA-N	1	1	407.426	1.071	20	0		HDADMO
Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)CC1	ZINC000498563247	1075713143	/nfs/dbraw/zinc/71/31/43/1075713143.db2.gz	IVVUOTLAXGKGLI-FQEVSTJZSA-N	1	1	421.505	1.851	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C2CC2)O[C@@H](C)C1	ZINC000509438807	1075715420	/nfs/dbraw/zinc/71/54/20/1075715420.db2.gz	COCQTFMBZKTVTP-LQWHRVPQSA-N	1	1	414.550	1.339	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@@H+](C)C3(CO)CCC3)CC2)cc1OC	ZINC000429262087	1075718606	/nfs/dbraw/zinc/71/86/06/1075718606.db2.gz	HOCRCDFFKLUWJZ-UHFFFAOYSA-N	1	1	405.539	1.503	20	0		HDADMO
Cc1ccccc1Nc1nc(N)nc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)n1	ZINC000434745028	1075720122	/nfs/dbraw/zinc/72/01/22/1075720122.db2.gz	JDMLIPVGSACJEW-UHFFFAOYSA-N	1	1	405.510	1.819	20	0		HDADMO
Cc1ccccc1Nc1nc(N)nc(C[N@H+](C)C2CCN(c3cnccn3)CC2)n1	ZINC000434745028	1075720125	/nfs/dbraw/zinc/72/01/25/1075720125.db2.gz	JDMLIPVGSACJEW-UHFFFAOYSA-N	1	1	405.510	1.819	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1	ZINC000605935086	1075721699	/nfs/dbraw/zinc/72/16/99/1075721699.db2.gz	NZARRWYMNQTBGE-HDICACEKSA-N	1	1	420.558	1.622	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@@H](C)c1cnn(C)c1	ZINC000509441354	1075722712	/nfs/dbraw/zinc/72/27/12/1075722712.db2.gz	VSYZPDMKOJJZAQ-MSOLQXFVSA-N	1	1	412.538	1.266	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1C[C@H](C)O	ZINC000509442274	1075726703	/nfs/dbraw/zinc/72/67/03/1075726703.db2.gz	NUONMCULHPJKCW-SVFBPWRDSA-N	1	1	416.566	1.465	20	0		HDADMO
CC(C)[C@@H](NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nncn1C	ZINC000509255882	1075727597	/nfs/dbraw/zinc/72/75/97/1075727597.db2.gz	GRHUWQWWTKLPHU-WIYYLYMNSA-N	1	1	400.527	1.791	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C1CC1	ZINC000564452643	1075728724	/nfs/dbraw/zinc/72/87/24/1075728724.db2.gz	AEYIPEXIEOLCNK-AWEZNQCLSA-N	1	1	401.536	2.326	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H](C)c1nccs1	ZINC000509442919	1075734234	/nfs/dbraw/zinc/73/42/34/1075734234.db2.gz	VJLDSWHOKLKAIN-IAGOWNOFSA-N	1	1	415.563	1.690	20	0		HDADMO
CO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1C	ZINC000509442914	1075734286	/nfs/dbraw/zinc/73/42/86/1075734286.db2.gz	VJFOSVILNARILR-QWFCFKBJSA-N	1	1	402.539	1.197	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C1Cc2ccccc2C1	ZINC000509442658	1075736512	/nfs/dbraw/zinc/73/65/12/1075736512.db2.gz	RZFCGHXJQSMUDE-IBGZPJMESA-N	1	1	420.557	1.939	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1	ZINC000509443071	1075738095	/nfs/dbraw/zinc/73/80/95/1075738095.db2.gz	WZHXWOHZDFQDLY-UYAOXDASSA-N	1	1	424.549	1.790	20	0		HDADMO
COCCC1(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC1	ZINC000509443288	1075739375	/nfs/dbraw/zinc/73/93/75/1075739375.db2.gz	YVFGDPVFTXGSJF-LJQANCHMSA-N	1	1	416.566	1.636	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)N[C@@H](c2nccn2C)c2ccccc2OC)CC1	ZINC000732441409	1075745212	/nfs/dbraw/zinc/74/52/12/1075745212.db2.gz	KUJSGVFBAZQPCF-LJQANCHMSA-N	1	1	401.511	1.882	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)N[C@H](c2nccn2C)c2ccccc2OC)CC1	ZINC000732441405	1075745253	/nfs/dbraw/zinc/74/52/53/1075745253.db2.gz	KUJSGVFBAZQPCF-IBGZPJMESA-N	1	1	401.511	1.882	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCCC[C@@H]3C3OCCO3)cc2)CC1	ZINC000732443893	1075746026	/nfs/dbraw/zinc/74/60/26/1075746026.db2.gz	FNLSPFFHWIIFFR-LJQANCHMSA-N	1	1	416.522	1.511	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCCC[C@H]1C1OCCO1	ZINC000732445877	1075747162	/nfs/dbraw/zinc/74/71/62/1075747162.db2.gz	UJMBPNFTFWINRW-IBGZPJMESA-N	1	1	406.502	1.885	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000501862912	1075750665	/nfs/dbraw/zinc/75/06/65/1075750665.db2.gz	NSYBBXIODVPANL-HUUCEWRRSA-N	1	1	407.522	1.987	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1	ZINC000732464089	1075751829	/nfs/dbraw/zinc/75/18/29/1075751829.db2.gz	WUDFWXQTHOVMIG-MRXNPFEDSA-N	1	1	417.337	1.879	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=O)N(C)CCS(C)(=O)=O)CC2)cs1	ZINC000732470847	1075756250	/nfs/dbraw/zinc/75/62/50/1075756250.db2.gz	SKTQOWXKFWEQRG-UHFFFAOYSA-N	1	1	402.586	1.604	20	0		HDADMO
Cc1ccc(Nc2nc(N)nc(CN3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2)cc1	ZINC000536040864	1075757632	/nfs/dbraw/zinc/75/76/32/1075757632.db2.gz	XUEYQJQISAYKDQ-UHFFFAOYSA-N	1	1	424.553	1.636	20	0		HDADMO
Cc1ccc(Nc2nc(N)nc(CN3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2)cc1	ZINC000536040864	1075757638	/nfs/dbraw/zinc/75/76/38/1075757638.db2.gz	XUEYQJQISAYKDQ-UHFFFAOYSA-N	1	1	424.553	1.636	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000605646084	1075759638	/nfs/dbraw/zinc/75/96/38/1075759638.db2.gz	ALSRGFFLTGFDKQ-HNNXBMFYSA-N	1	1	407.522	1.989	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000605646084	1075759647	/nfs/dbraw/zinc/75/96/47/1075759647.db2.gz	ALSRGFFLTGFDKQ-HNNXBMFYSA-N	1	1	407.522	1.989	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)Cc1ccc(F)cc1	ZINC000446733901	1075760804	/nfs/dbraw/zinc/76/08/04/1075760804.db2.gz	AURSDTNXXOEXFE-UHFFFAOYSA-N	1	1	401.364	1.771	20	0		HDADMO
CSC[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1	ZINC000429271673	1075761529	/nfs/dbraw/zinc/76/15/29/1075761529.db2.gz	JKBKPFXOGGZZRR-MRXNPFEDSA-N	1	1	416.547	1.435	20	0		HDADMO
CSC[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1	ZINC000429271673	1075761532	/nfs/dbraw/zinc/76/15/32/1075761532.db2.gz	JKBKPFXOGGZZRR-MRXNPFEDSA-N	1	1	416.547	1.435	20	0		HDADMO
C[N@@H+](CCOc1cccc(CNC(=O)Nc2nnc3ccccn32)c1)C1CCOCC1	ZINC000574435689	1075762646	/nfs/dbraw/zinc/76/26/46/1075762646.db2.gz	RKHZYBLSOPLZHM-UHFFFAOYSA-N	1	1	424.505	2.541	20	0		HDADMO
Nc1nc(C2CCCC2)ncc1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000491839221	1075765678	/nfs/dbraw/zinc/76/56/78/1075765678.db2.gz	XLTFGRZUFSQSDS-UHFFFAOYSA-N	1	1	422.533	1.791	20	0		HDADMO
CC(C)(C)Oc1nc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ncc1Br	ZINC000553376766	1075766193	/nfs/dbraw/zinc/76/61/93/1075766193.db2.gz	ZCDLOIDRTDJHAI-GFCCVEGCSA-N	1	1	414.348	2.416	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000429270905	1075766491	/nfs/dbraw/zinc/76/64/91/1075766491.db2.gz	YNMRAPHABLAEIR-UHFFFAOYSA-N	1	1	413.540	1.311	20	0		HDADMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446729955	1075766742	/nfs/dbraw/zinc/76/67/42/1075766742.db2.gz	XSXAUMCYSPFFQK-MRXNPFEDSA-N	1	1	423.439	2.364	20	0		HDADMO
C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1	ZINC000543689893	1075768730	/nfs/dbraw/zinc/76/87/30/1075768730.db2.gz	PEVHVXYQULTBIV-UHFFFAOYSA-N	1	1	407.540	1.307	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)NCCc1ccc(Br)cc1F)C1CC1	ZINC000804223802	1075775758	/nfs/dbraw/zinc/77/57/58/1075775758.db2.gz	HSUHOZAWSGEOPD-UHFFFAOYSA-N	1	1	400.292	1.847	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1CC1	ZINC000804224454	1075776414	/nfs/dbraw/zinc/77/64/14/1075776414.db2.gz	PYCCZJRHAKHQDO-JOCHJYFZSA-N	1	1	422.570	1.837	20	0		HDADMO
C[NH+]1CCC(CNC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)(N2CCCCC2)CC1	ZINC000442487342	1075776842	/nfs/dbraw/zinc/77/68/42/1075776842.db2.gz	HRLGPFUTFCNTRU-UHFFFAOYSA-N	1	1	422.599	1.841	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)C1CC1	ZINC000804225907	1075777783	/nfs/dbraw/zinc/77/77/83/1075777783.db2.gz	WQLSIOCOLJJDEF-OAHLLOKOSA-N	1	1	420.529	1.565	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C	ZINC000732559269	1075785599	/nfs/dbraw/zinc/78/55/99/1075785599.db2.gz	KAQDJVXJSORMJI-SFHVURJKSA-N	1	1	420.554	1.675	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C	ZINC000732559269	1075785603	/nfs/dbraw/zinc/78/56/03/1075785603.db2.gz	KAQDJVXJSORMJI-SFHVURJKSA-N	1	1	420.554	1.675	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558578	1075786064	/nfs/dbraw/zinc/78/60/64/1075786064.db2.gz	BSUKLYAVZOQAFN-GDUPUGJQSA-N	1	1	409.538	1.607	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558578	1075786069	/nfs/dbraw/zinc/78/60/69/1075786069.db2.gz	BSUKLYAVZOQAFN-GDUPUGJQSA-N	1	1	409.538	1.607	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1C[N@H+]2CCN1CCC2	ZINC000486824595	1075790346	/nfs/dbraw/zinc/79/03/46/1075790346.db2.gz	GWCRBLSAKPLDCT-HZPDHXFCSA-N	1	1	412.412	1.197	20	0		HDADMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C[C@@H]1Cc1ccccc1	ZINC000556552930	1075790817	/nfs/dbraw/zinc/79/08/17/1075790817.db2.gz	CDEXUBQUITYGNS-FQEVSTJZSA-N	1	1	418.501	1.650	20	0		HDADMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C[C@@H]1Cc1ccccc1	ZINC000556552930	1075790820	/nfs/dbraw/zinc/79/08/20/1075790820.db2.gz	CDEXUBQUITYGNS-FQEVSTJZSA-N	1	1	418.501	1.650	20	0		HDADMO
CC(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nncn1C	ZINC000509274682	1075793032	/nfs/dbraw/zinc/79/30/32/1075793032.db2.gz	RUYTXIZNZUJXEW-FHWLQOOXSA-N	1	1	400.527	1.694	20	0		HDADMO
C[NH+]1CCN([C@@H](C(=O)Nc2ccn(CCc3ccncc3)n2)c2ccccc2)CC1	ZINC000589998092	1075793096	/nfs/dbraw/zinc/79/30/96/1075793096.db2.gz	UNRQPKQWMKRKLO-JOCHJYFZSA-N	1	1	404.518	2.448	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)CC1	ZINC000466647126	1075794051	/nfs/dbraw/zinc/79/40/51/1075794051.db2.gz	HELWYTRYYAHUHV-UHFFFAOYSA-N	1	1	413.469	1.428	20	0		HDADMO
COc1cc(-c2noc(C[NH+]3CCC4(CNC(=O)C4)CC3)n2)cc(OC)c1OC	ZINC000487397462	1075795951	/nfs/dbraw/zinc/79/59/51/1075795951.db2.gz	IBXTXVKANHDGRT-UHFFFAOYSA-N	1	1	402.451	1.865	20	0		HDADMO
CSC[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000429279363	1075796236	/nfs/dbraw/zinc/79/62/36/1075796236.db2.gz	LHTAGTYUDIJBDJ-KRWDZBQOSA-N	1	1	411.593	1.595	20	0		HDADMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)[C@@H]1c1ccccc1	ZINC000504852880	1075796368	/nfs/dbraw/zinc/79/63/68/1075796368.db2.gz	OFMFJWONVVROCO-QUCCMNQESA-N	1	1	404.474	1.827	20	0		HDADMO
C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)[C@@H]2C1	ZINC000496088925	1075798179	/nfs/dbraw/zinc/79/81/79/1075798179.db2.gz	JAJRELSJTWTMFB-GXTWGEPZSA-N	1	1	422.411	1.777	20	0		HDADMO
CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1	ZINC001129306804	1075799574	/nfs/dbraw/zinc/79/95/74/1075799574.db2.gz	CAORARGBMSYGDE-HOTGVXAUSA-N	1	1	401.477	1.988	20	0		HDADMO
CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1	ZINC001129306804	1075799581	/nfs/dbraw/zinc/79/95/81/1075799581.db2.gz	CAORARGBMSYGDE-HOTGVXAUSA-N	1	1	401.477	1.988	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@@H+](CCO)Cc2cccc(Br)c2)C[C@H](C)O1	ZINC000488195574	1075806512	/nfs/dbraw/zinc/80/65/12/1075806512.db2.gz	FPFLMTHFBIHHRQ-DAYGRLMNSA-N	1	1	401.345	1.714	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC[N@H+]1CC(C)(C)O	ZINC000548737081	1075807687	/nfs/dbraw/zinc/80/76/87/1075807687.db2.gz	MQQZLDGEUXGIPC-ZDUSSCGKSA-N	1	1	407.515	2.577	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1	ZINC000143475319	1075812355	/nfs/dbraw/zinc/81/23/55/1075812355.db2.gz	BZNULSBNCQEMRW-AWEZNQCLSA-N	1	1	403.483	1.214	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C1	ZINC000611043330	1075819605	/nfs/dbraw/zinc/81/96/05/1075819605.db2.gz	COYSKXXRXVLJQX-FHWLQOOXSA-N	1	1	407.555	1.901	20	0		HDADMO
CCOC(=O)CC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1	ZINC000611061491	1075822539	/nfs/dbraw/zinc/82/25/39/1075822539.db2.gz	OKNFSUNPNXBBNX-RTBURBONSA-N	1	1	410.559	1.158	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000732675897	1075830135	/nfs/dbraw/zinc/83/01/35/1075830135.db2.gz	MWNZNIKXULIYDE-ZIAGYGMSSA-N	1	1	412.478	1.474	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2cc3ccc(Br)cn3n2)C1	ZINC000482112359	1075840944	/nfs/dbraw/zinc/84/09/44/1075840944.db2.gz	HCBCGZNYDDWWSJ-GFCCVEGCSA-N	1	1	423.315	1.806	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000611130950	1075847896	/nfs/dbraw/zinc/84/78/96/1075847896.db2.gz	WYTJFMWTUGFELQ-CJNGLKHVSA-N	1	1	409.508	1.116	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000611130950	1075847906	/nfs/dbraw/zinc/84/79/06/1075847906.db2.gz	WYTJFMWTUGFELQ-CJNGLKHVSA-N	1	1	409.508	1.116	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000732777955	1075855447	/nfs/dbraw/zinc/85/54/47/1075855447.db2.gz	IPVZVDQSQGIDRH-CAOOACKPSA-N	1	1	423.604	1.864	20	0		HDADMO
COC(=O)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)Oc1ccc(F)cc1	ZINC000611160862	1075861736	/nfs/dbraw/zinc/86/17/36/1075861736.db2.gz	WTXYAFNGUOEYGD-RBUKOAKNSA-N	1	1	401.438	1.922	20	0		HDADMO
COC(=O)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)Oc1ccc(F)cc1	ZINC000611160862	1075861741	/nfs/dbraw/zinc/86/17/41/1075861741.db2.gz	WTXYAFNGUOEYGD-RBUKOAKNSA-N	1	1	401.438	1.922	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732807456	1075863064	/nfs/dbraw/zinc/86/30/64/1075863064.db2.gz	ODHDDAYNIYHUMD-KRWDZBQOSA-N	1	1	409.552	1.793	20	0		HDADMO
CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732782111	1075866155	/nfs/dbraw/zinc/86/61/55/1075866155.db2.gz	DCQSCCOEYNAQJK-QGZVFWFLSA-N	1	1	412.456	1.426	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)Nc3cccc([S@@](C)=O)c3)CC2)CC1	ZINC000611176427	1075869797	/nfs/dbraw/zinc/86/97/97/1075869797.db2.gz	VFZPAZCBJICOCO-GDLZYMKVSA-N	1	1	420.579	1.380	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732809111	1075870648	/nfs/dbraw/zinc/87/06/48/1075870648.db2.gz	REQSCCMEOFKFOK-RBUKOAKNSA-N	1	1	414.550	1.906	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732809111	1075870652	/nfs/dbraw/zinc/87/06/52/1075870652.db2.gz	REQSCCMEOFKFOK-RBUKOAKNSA-N	1	1	414.550	1.906	20	0		HDADMO
C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810327	1075871277	/nfs/dbraw/zinc/87/12/77/1075871277.db2.gz	LHNBAYHLBSQSBS-CQSZACIVSA-N	1	1	400.401	1.498	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000732812029	1075873380	/nfs/dbraw/zinc/87/33/80/1075873380.db2.gz	ZZCALDOHXBKSNY-QGZVFWFLSA-N	1	1	402.495	1.041	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000732812029	1075873383	/nfs/dbraw/zinc/87/33/83/1075873383.db2.gz	ZZCALDOHXBKSNY-QGZVFWFLSA-N	1	1	402.495	1.041	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000732815270	1075876365	/nfs/dbraw/zinc/87/63/65/1075876365.db2.gz	FTQCGDGPKCCULT-UWCCDQBKSA-N	1	1	421.494	1.843	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC[N@H+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)nc1	ZINC000611225137	1075879940	/nfs/dbraw/zinc/87/99/40/1075879940.db2.gz	RJLXBHBMOVZOBT-LJQANCHMSA-N	1	1	416.522	1.408	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC[N@@H+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)nc1	ZINC000611225137	1075879943	/nfs/dbraw/zinc/87/99/43/1075879943.db2.gz	RJLXBHBMOVZOBT-LJQANCHMSA-N	1	1	416.522	1.408	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](N3CCCCC3=O)C2)CC1=O	ZINC000732839200	1075883319	/nfs/dbraw/zinc/88/33/19/1075883319.db2.gz	SJKGSVXWAUWPPV-QRVBRYPASA-N	1	1	404.555	1.323	20	0		HDADMO
CCOC(=O)c1cc(C)sc1NC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000611244311	1075884573	/nfs/dbraw/zinc/88/45/73/1075884573.db2.gz	UFOYLSHRNZHLDN-MRXNPFEDSA-N	1	1	422.551	1.586	20	0		HDADMO
Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1	ZINC000611244237	1075885264	/nfs/dbraw/zinc/88/52/64/1075885264.db2.gz	LVOFPSBQRACDQO-QFBILLFUSA-N	1	1	415.538	1.754	20	0		HDADMO
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1	ZINC000611244238	1075885460	/nfs/dbraw/zinc/88/54/60/1075885460.db2.gz	LVOFPSBQRACDQO-VQIMIIECSA-N	1	1	415.538	1.754	20	0		HDADMO
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000611244251	1075885492	/nfs/dbraw/zinc/88/54/92/1075885492.db2.gz	NCBNOXYDXLVGRF-HNAYVOBHSA-N	1	1	416.522	1.523	20	0		HDADMO
CCc1cc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)[nH]n1	ZINC000732880079	1075890396	/nfs/dbraw/zinc/89/03/96/1075890396.db2.gz	IWLURNKOGCKQDI-UHFFFAOYSA-N	1	1	420.539	1.620	20	0		HDADMO
CCc1cc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)[nH]n1	ZINC000732880079	1075890400	/nfs/dbraw/zinc/89/04/00/1075890400.db2.gz	IWLURNKOGCKQDI-UHFFFAOYSA-N	1	1	420.539	1.620	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[NH+]1CCOCC1	ZINC000732885972	1075892452	/nfs/dbraw/zinc/89/24/52/1075892452.db2.gz	SBRANPUZTIRMTK-CVEARBPZSA-N	1	1	422.492	1.928	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000732885752	1075892907	/nfs/dbraw/zinc/89/29/07/1075892907.db2.gz	LYJSJLZNZFYANC-OAHLLOKOSA-N	1	1	407.481	1.209	20	0		HDADMO
COC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)CC2	ZINC000611293665	1075894797	/nfs/dbraw/zinc/89/47/97/1075894797.db2.gz	ZFNAHSHPOTZSPE-LJQANCHMSA-N	1	1	400.523	1.709	20	0		HDADMO
COC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2	ZINC000611293665	1075894801	/nfs/dbraw/zinc/89/48/01/1075894801.db2.gz	ZFNAHSHPOTZSPE-LJQANCHMSA-N	1	1	400.523	1.709	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1	ZINC000611320854	1075900125	/nfs/dbraw/zinc/90/01/25/1075900125.db2.gz	WHTBEQKIFDTXPE-INIZCTEOSA-N	1	1	421.563	1.944	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000611321433	1075900157	/nfs/dbraw/zinc/90/01/57/1075900157.db2.gz	PBQXPNUMWUNDRU-IAGOWNOFSA-N	1	1	403.479	1.775	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000611322264	1075900165	/nfs/dbraw/zinc/90/01/65/1075900165.db2.gz	VVNGVBBLYDZGRH-AWEZNQCLSA-N	1	1	411.524	1.492	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000611322264	1075900166	/nfs/dbraw/zinc/90/01/66/1075900166.db2.gz	VVNGVBBLYDZGRH-AWEZNQCLSA-N	1	1	411.524	1.492	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611322298	1075900534	/nfs/dbraw/zinc/90/05/34/1075900534.db2.gz	PPUJFEPFHQILGG-DLBZAZTESA-N	1	1	403.527	1.425	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(OC)c1	ZINC000732871384	1075901810	/nfs/dbraw/zinc/90/18/10/1075901810.db2.gz	HANMUOKXDBMLAA-QZTJIDSGSA-N	1	1	420.506	1.698	20	0		HDADMO
O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732872007	1075902173	/nfs/dbraw/zinc/90/21/73/1075902173.db2.gz	RLLSXWAOCRKWJF-ZWKOTPCHSA-N	1	1	400.479	1.341	20	0		HDADMO
O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccccc1I	ZINC000611348998	1075912870	/nfs/dbraw/zinc/91/28/70/1075912870.db2.gz	PVIWOWRXXYXXAJ-ZDUSSCGKSA-N	1	1	415.275	1.636	20	0		HDADMO
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000611382288	1075922064	/nfs/dbraw/zinc/92/20/64/1075922064.db2.gz	OLNDXZKQCSEXPT-KRWDZBQOSA-N	1	1	423.579	1.729	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)C1	ZINC000611401540	1075925740	/nfs/dbraw/zinc/92/57/40/1075925740.db2.gz	XGPRSJNXIOQVBN-LAUBAEHRSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)C1	ZINC000611401540	1075925743	/nfs/dbraw/zinc/92/57/43/1075925743.db2.gz	XGPRSJNXIOQVBN-LAUBAEHRSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)[C@H](C)C1	ZINC000611401535	1075925769	/nfs/dbraw/zinc/92/57/69/1075925769.db2.gz	WGQCMYUBONBYBE-DNVCBOLYSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)[C@H](C)C1	ZINC000611401535	1075925771	/nfs/dbraw/zinc/92/57/71/1075925771.db2.gz	WGQCMYUBONBYBE-DNVCBOLYSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC(C)(C)CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000611421618	1075931871	/nfs/dbraw/zinc/93/18/71/1075931871.db2.gz	QOSIIFUMPGCVJP-UHFFFAOYSA-N	1	1	418.538	1.815	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C	ZINC000611455852	1075938659	/nfs/dbraw/zinc/93/86/59/1075938659.db2.gz	TUVHLDCMTUHCMF-UHFFFAOYSA-N	1	1	423.535	1.933	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)C[C@@H]1C	ZINC000611484499	1075946730	/nfs/dbraw/zinc/94/67/30/1075946730.db2.gz	NRELRRHHPVRBSS-UWJYYQICSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)C[C@@H]1C	ZINC000611484499	1075946733	/nfs/dbraw/zinc/94/67/33/1075946733.db2.gz	NRELRRHHPVRBSS-UWJYYQICSA-N	1	1	403.523	1.466	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733048840	1075954524	/nfs/dbraw/zinc/95/45/24/1075954524.db2.gz	PQLQEBYNUIQPJR-HOCLYGCPSA-N	1	1	414.506	1.824	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733049616	1075955477	/nfs/dbraw/zinc/95/54/77/1075955477.db2.gz	VJSSSUHUSNGEPZ-IYBDPMFKSA-N	1	1	414.506	1.966	20	0		HDADMO
Cc1cc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1N1C(=O)CCC1=O	ZINC000733036201	1075960836	/nfs/dbraw/zinc/96/08/36/1075960836.db2.gz	OUVKCBRRFBZXEZ-HNNXBMFYSA-N	1	1	415.494	1.357	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(Cc1ccccc1)[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O	ZINC001079139425	1075964840	/nfs/dbraw/zinc/96/48/40/1075964840.db2.gz	TYDVHYNLUGNFEZ-VYKPCIFISA-N	1	1	422.529	1.380	20	0		HDADMO
O=C(NCCCCC[NH+]1CCN(C(=O)c2ccon2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001079163256	1075966303	/nfs/dbraw/zinc/96/63/03/1075966303.db2.gz	YJQNVRKUZMTWRE-LHHMMCJZSA-N	1	1	402.495	1.142	20	0		HDADMO
Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2cccc(F)c2)n1	ZINC001079192343	1075966998	/nfs/dbraw/zinc/96/69/98/1075966998.db2.gz	BMKRDAQILUEYSB-FYBDHJHVSA-N	1	1	411.481	1.462	20	0		HDADMO
Cn1ccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]4COC[C@@H]43)CC2)n1	ZINC001079263395	1075968343	/nfs/dbraw/zinc/96/83/43/1075968343.db2.gz	SDSGLHKXNHBJMP-OBKDMQGPSA-N	1	1	400.523	1.427	20	0		HDADMO
Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]4COC[C@@H]43)CC2)no1	ZINC001079263185	1075968359	/nfs/dbraw/zinc/96/83/59/1075968359.db2.gz	MBBSSRGBHWQZMV-OBKDMQGPSA-N	1	1	401.507	1.990	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000105175999	1075969794	/nfs/dbraw/zinc/96/97/94/1075969794.db2.gz	ORHTYYUHADQJEX-AWEZNQCLSA-N	1	1	419.494	1.106	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)/C(=C\c1cccnc1)NC(=O)c1ccccc1	ZINC000733143021	1075975407	/nfs/dbraw/zinc/97/54/07/1075975407.db2.gz	BXTAEJRDDBQQCH-LVZGSSTFSA-N	1	1	406.486	1.832	20	0		HDADMO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)CC1=O	ZINC000733128541	1075979205	/nfs/dbraw/zinc/97/92/05/1075979205.db2.gz	VMACKEXAJPQBGW-MOPGFXCFSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)CC1=O	ZINC000733128541	1075979207	/nfs/dbraw/zinc/97/92/07/1075979207.db2.gz	VMACKEXAJPQBGW-MOPGFXCFSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C(=O)N(C)OC)cc2)CC1=O	ZINC000733147426	1075982759	/nfs/dbraw/zinc/98/27/59/1075982759.db2.gz	NGGPVHGBAMSURV-SJLPKXTDSA-N	1	1	402.495	1.591	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[S@@](=O)Cc2ccccc2)CC1=O	ZINC000733153347	1075988094	/nfs/dbraw/zinc/98/80/94/1075988094.db2.gz	SXXKOOCVUPZXFD-DORSKGMSSA-N	1	1	405.564	1.384	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000733155706	1075988788	/nfs/dbraw/zinc/98/87/88/1075988788.db2.gz	QBNNCHSBTIQIHC-INIZCTEOSA-N	1	1	401.511	1.134	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1	ZINC000733155538	1075988853	/nfs/dbraw/zinc/98/88/53/1075988853.db2.gz	TUKFYXBJANSKJU-PYCFMQQDSA-N	1	1	421.545	1.948	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000733156909	1075989198	/nfs/dbraw/zinc/98/91/98/1075989198.db2.gz	JYMXTWVLQUXUJI-SFHVURJKSA-N	1	1	416.595	1.930	20	0		HDADMO
Cn1c(=O)cc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n(C)c1=O	ZINC000493629347	1075992053	/nfs/dbraw/zinc/99/20/53/1075992053.db2.gz	ARHVXXJNSXTQLJ-GFCCVEGCSA-N	1	1	422.411	1.525	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1	ZINC000733169567	1076000175	/nfs/dbraw/zinc/00/01/75/1076000175.db2.gz	CARCWBLRDHTJQH-KRWDZBQOSA-N	1	1	416.595	1.932	20	0		HDADMO
CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1	ZINC000733170021	1076000213	/nfs/dbraw/zinc/00/02/13/1076000213.db2.gz	IRFPEHZTEPKQOJ-MRXNPFEDSA-N	1	1	412.556	1.068	20	0		HDADMO
CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)CS(=O)(=O)CC	ZINC000733196019	1076001955	/nfs/dbraw/zinc/00/19/55/1076001955.db2.gz	DECVHNRIIBMEPC-QGZVFWFLSA-N	1	1	411.568	1.997	20	0		HDADMO
CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)CS(=O)(=O)CC	ZINC000733196019	1076001960	/nfs/dbraw/zinc/00/19/60/1076001960.db2.gz	DECVHNRIIBMEPC-QGZVFWFLSA-N	1	1	411.568	1.997	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[N@@H+](C)C1CCC1	ZINC001081103188	1076002230	/nfs/dbraw/zinc/00/22/30/1076002230.db2.gz	LGSOSAKFISGDMD-JRHPMUGDSA-N	1	1	403.567	1.981	20	0		HDADMO
C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1	ZINC000513261352	1076004824	/nfs/dbraw/zinc/00/48/24/1076004824.db2.gz	MZDXGVQHDMUHMS-CTNGQTDRSA-N	1	1	414.550	1.073	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)C2)no1	ZINC000514027053	1076016622	/nfs/dbraw/zinc/01/66/22/1076016622.db2.gz	NNWPUWBEZZUMPT-LZLYRXPVSA-N	1	1	420.558	1.885	20	0		HDADMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N(Cc3noc(CC)n3)C(C)=O)C2)C1	ZINC000514029849	1076016964	/nfs/dbraw/zinc/01/69/64/1076016964.db2.gz	XDHVKRFYCHUEOR-IRXDYDNUSA-N	1	1	406.531	1.496	20	0		HDADMO
CO[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12	ZINC001081978561	1076021962	/nfs/dbraw/zinc/02/19/62/1076021962.db2.gz	CWUUGISLQBDKIK-QXDIGNSFSA-N	1	1	404.559	1.612	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12	ZINC001081978561	1076021970	/nfs/dbraw/zinc/02/19/70/1076021970.db2.gz	CWUUGISLQBDKIK-QXDIGNSFSA-N	1	1	404.559	1.612	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001082155442	1076023660	/nfs/dbraw/zinc/02/36/60/1076023660.db2.gz	AZTYUVKBVVODMW-LTFPLMDUSA-N	1	1	401.507	1.271	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001082155442	1076023663	/nfs/dbraw/zinc/02/36/63/1076023663.db2.gz	AZTYUVKBVVODMW-LTFPLMDUSA-N	1	1	401.507	1.271	20	0		HDADMO
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)O[NH+]=C(N)C1CCCC1	ZINC000733307426	1076034812	/nfs/dbraw/zinc/03/48/12/1076034812.db2.gz	STDZULGPHUTUSU-GFCCVEGCSA-N	1	1	412.512	1.961	20	0		HDADMO
C[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1	ZINC000733294155	1076040977	/nfs/dbraw/zinc/04/09/77/1076040977.db2.gz	UYUGYSUCJXLLFF-DLBZAZTESA-N	1	1	408.543	1.604	20	0		HDADMO
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000727126570	1076049701	/nfs/dbraw/zinc/04/97/01/1076049701.db2.gz	NCINZZNSVJULRD-INIZCTEOSA-N	1	1	406.531	1.408	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C	ZINC001082658243	1076062558	/nfs/dbraw/zinc/06/25/58/1076062558.db2.gz	SZNYHIBEVUQGHY-IIZQIQNSSA-N	1	1	403.527	1.071	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1[NH2+]Cc1nnnn1C1CCOCC1	ZINC001082659191	1076062624	/nfs/dbraw/zinc/06/26/24/1076062624.db2.gz	YXBOHBWJJMYRCP-UWAKZDDMSA-N	1	1	402.543	1.787	20	0		HDADMO
Nc1cc(F)c(F)cc1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000727191977	1076078097	/nfs/dbraw/zinc/07/80/97/1076078097.db2.gz	OYMMVTXMJZGFPP-UHFFFAOYSA-N	1	1	411.449	1.855	20	0		HDADMO
C[C@@H](CC(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1)NC(=O)C1CCCC1	ZINC000727199687	1076080807	/nfs/dbraw/zinc/08/08/07/1076080807.db2.gz	PEVOHUWKFGBERD-SFHVURJKSA-N	1	1	415.534	1.959	20	0		HDADMO
C[C@H](CC(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1)NC(=O)C1CCCC1	ZINC000727199685	1076080835	/nfs/dbraw/zinc/08/08/35/1076080835.db2.gz	PEVOHUWKFGBERD-GOSISDBHSA-N	1	1	415.534	1.959	20	0		HDADMO
O=C(COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)NC(=O)NC1CC1	ZINC000733530043	1076095585	/nfs/dbraw/zinc/09/55/85/1076095585.db2.gz	HIKVOVYRBNDIRG-GOSISDBHSA-N	1	1	413.396	1.972	20	0		HDADMO
CCC[N@H+]1Cc2cccc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c2C1	ZINC000727343015	1076097201	/nfs/dbraw/zinc/09/72/01/1076097201.db2.gz	XBHCZUJEATVMSV-OAHLLOKOSA-N	1	1	418.519	1.516	20	0		HDADMO
CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1	ZINC000727375730	1076100587	/nfs/dbraw/zinc/10/05/87/1076100587.db2.gz	UMCLIONUTLMSNK-RTWAWAEBSA-N	1	1	414.550	1.930	20	0		HDADMO
C[C@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000733586995	1076116440	/nfs/dbraw/zinc/11/64/40/1076116440.db2.gz	BJGVJEHCCKWOKJ-HOCLYGCPSA-N	1	1	420.487	1.619	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OC)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000727434935	1076119065	/nfs/dbraw/zinc/11/90/65/1076119065.db2.gz	OKRNNFMLPWZVED-YJBOKZPZSA-N	1	1	401.463	1.695	20	0		HDADMO
COC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OC)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000727434935	1076119072	/nfs/dbraw/zinc/11/90/72/1076119072.db2.gz	OKRNNFMLPWZVED-YJBOKZPZSA-N	1	1	401.463	1.695	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCCO1	ZINC000727438214	1076120600	/nfs/dbraw/zinc/12/06/00/1076120600.db2.gz	ZRNCRCRAIHJSFO-PSSQXEACSA-N	1	1	407.536	1.242	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC1	ZINC000727441465	1076122883	/nfs/dbraw/zinc/12/28/83/1076122883.db2.gz	YSSTXDTUFORYBY-KRWDZBQOSA-N	1	1	403.479	1.895	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC1	ZINC000727441465	1076122887	/nfs/dbraw/zinc/12/28/87/1076122887.db2.gz	YSSTXDTUFORYBY-KRWDZBQOSA-N	1	1	403.479	1.895	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2cccc(Br)c2)CC1	ZINC000727450753	1076131407	/nfs/dbraw/zinc/13/14/07/1076131407.db2.gz	JRTODXGXLYSYCA-WUXMJOGZSA-N	1	1	416.341	1.503	20	0		HDADMO
O=C(NCCCN1CCOC1=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000733648949	1076141049	/nfs/dbraw/zinc/14/10/49/1076141049.db2.gz	NGJLMRQTBJQOBL-UHFFFAOYSA-N	1	1	405.499	1.158	20	0		HDADMO
COc1cc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c(C(=O)N(C)C)cc1OC	ZINC000733668682	1076150472	/nfs/dbraw/zinc/15/04/72/1076150472.db2.gz	KBGJBDOLSGBCRS-UHFFFAOYSA-N	1	1	418.494	1.041	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000733671903	1076154262	/nfs/dbraw/zinc/15/42/62/1076154262.db2.gz	YZKIPIPALXUKKJ-QGZVFWFLSA-N	1	1	406.502	1.982	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	ZINC000733661196	1076165048	/nfs/dbraw/zinc/16/50/48/1076165048.db2.gz	DLPKWTDHFUQLMO-UHFFFAOYSA-N	1	1	419.869	1.699	20	0		HDADMO
CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cn1	ZINC000727611950	1076181400	/nfs/dbraw/zinc/18/14/00/1076181400.db2.gz	FRUHXWXNLNJFKE-ZDUSSCGKSA-N	1	1	403.483	1.968	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1	ZINC000526921023	1076191662	/nfs/dbraw/zinc/19/16/62/1076191662.db2.gz	KPJKXAOBULWNRN-QFBILLFUSA-N	1	1	409.408	1.921	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1	ZINC000526921023	1076191667	/nfs/dbraw/zinc/19/16/67/1076191667.db2.gz	KPJKXAOBULWNRN-QFBILLFUSA-N	1	1	409.408	1.921	20	0		HDADMO
Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1	ZINC000526955390	1076193173	/nfs/dbraw/zinc/19/31/73/1076193173.db2.gz	JOGGHALLXNFCSI-UHFFFAOYSA-N	1	1	406.508	1.909	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1	ZINC000733780578	1076203910	/nfs/dbraw/zinc/20/39/10/1076203910.db2.gz	VTOYHANUBXZBCV-IRXDYDNUSA-N	1	1	406.552	1.597	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1	ZINC000733780583	1076204053	/nfs/dbraw/zinc/20/40/53/1076204053.db2.gz	VTOYHANUBXZBCV-SJORKVTESA-N	1	1	406.552	1.597	20	0		HDADMO
COC(=O)[C@H]1CC12CC[NH+](CN1C(=O)C(=O)N(Cc3ccc(OC)cc3)C1=O)CC2	ZINC000733791471	1076208126	/nfs/dbraw/zinc/20/81/26/1076208126.db2.gz	OLTCDWJEAWSETO-MRXNPFEDSA-N	1	1	415.446	1.219	20	0		HDADMO
COC(=O)[C@@H]1CC12CC[NH+](CN1C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C1=O)CC2	ZINC000733791044	1076208520	/nfs/dbraw/zinc/20/85/20/1076208520.db2.gz	HXPLYFPQHKZAMB-UWJYYQICSA-N	1	1	415.490	1.781	20	0		HDADMO
C[N@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1	ZINC000685806707	1076212658	/nfs/dbraw/zinc/21/26/58/1076212658.db2.gz	BVTYVJCTLRZLST-MSOLQXFVSA-N	1	1	407.923	1.832	20	0		HDADMO
CCCn1c2ccccc2n(CCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1=O	ZINC000057571946	1076213379	/nfs/dbraw/zinc/21/33/79/1076213379.db2.gz	XHUSKSHIWYLYRQ-SFHVURJKSA-N	1	1	400.523	1.926	20	0		HDADMO
O=C(NCCO)C1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1	ZINC000733795365	1076214962	/nfs/dbraw/zinc/21/49/62/1076214962.db2.gz	XWGABGGYWWWWOP-INIZCTEOSA-N	1	1	415.412	1.511	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1	ZINC000727754911	1076229265	/nfs/dbraw/zinc/22/92/65/1076229265.db2.gz	JUUQZASHPPNFIM-HXUWFJFHSA-N	1	1	414.531	1.759	20	0		HDADMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727756368	1076229854	/nfs/dbraw/zinc/22/98/54/1076229854.db2.gz	YHRVEZZTVLVIDD-LJQANCHMSA-N	1	1	402.520	1.873	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1	ZINC000532604128	1076238527	/nfs/dbraw/zinc/23/85/27/1076238527.db2.gz	ZSBGTMDWVLSQRA-KRWDZBQOSA-N	1	1	412.538	1.904	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1	ZINC000733885578	1076239816	/nfs/dbraw/zinc/23/98/16/1076239816.db2.gz	LLMOFXIYIOCBCT-UHFFFAOYSA-N	1	1	416.975	1.348	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)c1	ZINC000733885578	1076239821	/nfs/dbraw/zinc/23/98/21/1076239821.db2.gz	LLMOFXIYIOCBCT-UHFFFAOYSA-N	1	1	416.975	1.348	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@H+]2CCCN(C)CC2)c1	ZINC000733885578	1076239829	/nfs/dbraw/zinc/23/98/29/1076239829.db2.gz	LLMOFXIYIOCBCT-UHFFFAOYSA-N	1	1	416.975	1.348	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)C2)no1	ZINC000533132901	1076241689	/nfs/dbraw/zinc/24/16/89/1076241689.db2.gz	LHCSOBCNFBMHKJ-CVEARBPZSA-N	1	1	418.498	1.660	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000533833393	1076245519	/nfs/dbraw/zinc/24/55/19/1076245519.db2.gz	UPBDGOLRSSQKPI-IBGZPJMESA-N	1	1	415.515	1.624	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000533833393	1076245523	/nfs/dbraw/zinc/24/55/23/1076245523.db2.gz	UPBDGOLRSSQKPI-IBGZPJMESA-N	1	1	415.515	1.624	20	0		HDADMO
CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)ccc21	ZINC000533830808	1076245561	/nfs/dbraw/zinc/24/55/61/1076245561.db2.gz	CTQHKFRXMHVVLN-FQEVSTJZSA-N	1	1	406.486	1.628	20	0		HDADMO
CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)ccc21	ZINC000533830808	1076245563	/nfs/dbraw/zinc/24/55/63/1076245563.db2.gz	CTQHKFRXMHVVLN-FQEVSTJZSA-N	1	1	406.486	1.628	20	0		HDADMO
CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000534559474	1076248811	/nfs/dbraw/zinc/24/88/11/1076248811.db2.gz	KXWMAUKNOGEZDV-LJQANCHMSA-N	1	1	424.567	1.255	20	0		HDADMO
CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000534559474	1076248814	/nfs/dbraw/zinc/24/88/14/1076248814.db2.gz	KXWMAUKNOGEZDV-LJQANCHMSA-N	1	1	424.567	1.255	20	0		HDADMO
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(F)c1	ZINC000535138977	1076250035	/nfs/dbraw/zinc/25/00/35/1076250035.db2.gz	ULNKUSIJCJJPDY-UHFFFAOYSA-N	1	1	414.434	1.447	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1	ZINC000535269080	1076250874	/nfs/dbraw/zinc/25/08/74/1076250874.db2.gz	KCJMNELCBQVJMH-SFTDATJTSA-N	1	1	407.518	1.727	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1	ZINC000535269080	1076250876	/nfs/dbraw/zinc/25/08/76/1076250876.db2.gz	KCJMNELCBQVJMH-SFTDATJTSA-N	1	1	407.518	1.727	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000535292275	1076252127	/nfs/dbraw/zinc/25/21/27/1076252127.db2.gz	FEXBORBSXKXCQF-SFHVURJKSA-N	1	1	406.494	1.382	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000535292275	1076252133	/nfs/dbraw/zinc/25/21/33/1076252133.db2.gz	FEXBORBSXKXCQF-SFHVURJKSA-N	1	1	406.494	1.382	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000535296569	1076252163	/nfs/dbraw/zinc/25/21/63/1076252163.db2.gz	YVDUGVOPRVRXJM-FQEVSTJZSA-N	1	1	414.531	1.889	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000535296569	1076252168	/nfs/dbraw/zinc/25/21/68/1076252168.db2.gz	YVDUGVOPRVRXJM-FQEVSTJZSA-N	1	1	414.531	1.889	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000144331447	1076256805	/nfs/dbraw/zinc/25/68/05/1076256805.db2.gz	BTLZHHSCMLJPQY-GJZGRUSLSA-N	1	1	402.944	1.977	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000144331447	1076256807	/nfs/dbraw/zinc/25/68/07/1076256807.db2.gz	BTLZHHSCMLJPQY-GJZGRUSLSA-N	1	1	402.944	1.977	20	0		HDADMO
COCCS(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1	ZINC000727828240	1076262770	/nfs/dbraw/zinc/26/27/70/1076262770.db2.gz	PHSJPBMAHZUGRB-UHFFFAOYSA-N	1	1	403.932	1.837	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)C1	ZINC000727820187	1076267474	/nfs/dbraw/zinc/26/74/74/1076267474.db2.gz	VSLUTIMXPXXFGU-SFUYWUKASA-N	1	1	422.570	1.944	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)C1	ZINC000727820187	1076267479	/nfs/dbraw/zinc/26/74/79/1076267479.db2.gz	VSLUTIMXPXXFGU-SFUYWUKASA-N	1	1	422.570	1.944	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)C1	ZINC000727820184	1076267510	/nfs/dbraw/zinc/26/75/10/1076267510.db2.gz	VSLUTIMXPXXFGU-KAIODVNGSA-N	1	1	422.570	1.944	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)C1	ZINC000727820184	1076267516	/nfs/dbraw/zinc/26/75/16/1076267516.db2.gz	VSLUTIMXPXXFGU-KAIODVNGSA-N	1	1	422.570	1.944	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1	ZINC000733974845	1076280152	/nfs/dbraw/zinc/28/01/52/1076280152.db2.gz	DOSAMZFIBODKPJ-INIZCTEOSA-N	1	1	413.305	1.767	20	0		HDADMO
C[C@H](OC(=O)CCN1CCCC1=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000727912539	1076286221	/nfs/dbraw/zinc/28/62/21/1076286221.db2.gz	GQYBRHOPBSBQBV-KRWDZBQOSA-N	1	1	417.506	1.079	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)n1C	ZINC000733970367	1076287556	/nfs/dbraw/zinc/28/75/56/1076287556.db2.gz	RWVKKLFQWNMMEZ-UHFFFAOYSA-N	1	1	415.313	1.582	20	0		HDADMO
NS(=O)(=O)c1ccc(CNC(=S)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1	ZINC000734099318	1076304220	/nfs/dbraw/zinc/30/42/20/1076304220.db2.gz	PSLLTGDODBIPFI-GOSISDBHSA-N	1	1	418.588	1.963	20	0		HDADMO
CC(=O)Nc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)c1	ZINC001083147934	1076305035	/nfs/dbraw/zinc/30/50/35/1076305035.db2.gz	MACKVRCXVMLWAJ-CWAYHHJTSA-N	1	1	411.502	1.480	20	0		HDADMO
CC(=O)Nc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)c1	ZINC001083147934	1076305041	/nfs/dbraw/zinc/30/50/41/1076305041.db2.gz	MACKVRCXVMLWAJ-CWAYHHJTSA-N	1	1	411.502	1.480	20	0		HDADMO
COc1cccc(CCC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)c1	ZINC001083148874	1076307909	/nfs/dbraw/zinc/30/79/09/1076307909.db2.gz	LBODWMATSHGXRB-ZHHZFAINSA-N	1	1	412.530	1.963	20	0		HDADMO
Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CCC[C@H](C3OCCO3)C2)CC1	ZINC000728053531	1076320961	/nfs/dbraw/zinc/32/09/61/1076320961.db2.gz	NUBWJDOQLHMDOA-SFHVURJKSA-N	1	1	415.534	1.801	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCNC(=O)c1[nH]nc2ccccc21	ZINC000728071964	1076332689	/nfs/dbraw/zinc/33/26/89/1076332689.db2.gz	YPSYHUWSBHGXNR-UHFFFAOYSA-N	1	1	403.446	1.888	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000728126633	1076338601	/nfs/dbraw/zinc/33/86/01/1076338601.db2.gz	ZABNOWZNBCEXDI-KRWDZBQOSA-N	1	1	401.536	1.865	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@H+]1CCCC[C@@H]1C	ZINC000728137415	1076340630	/nfs/dbraw/zinc/34/06/30/1076340630.db2.gz	XSJJDJFHKSAIPW-HOTGVXAUSA-N	1	1	406.502	1.980	20	0		HDADMO
Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1	ZINC000728163784	1076351781	/nfs/dbraw/zinc/35/17/81/1076351781.db2.gz	BYJMWIQSTCOSNV-UHFFFAOYSA-N	1	1	417.535	1.712	20	0		HDADMO
O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1	ZINC000025830218	1076354853	/nfs/dbraw/zinc/35/48/53/1076354853.db2.gz	SVLXJNFHFLPTMJ-LJQANCHMSA-N	1	1	409.486	1.837	20	0		HDADMO
O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCc2ccccc2C1	ZINC001084532674	1076369073	/nfs/dbraw/zinc/36/90/73/1076369073.db2.gz	JCTFRITVGWYLIM-OGYNKXMDSA-N	1	1	421.541	1.527	20	0		HDADMO
O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCc2ccccc2C1	ZINC001084532674	1076369083	/nfs/dbraw/zinc/36/90/83/1076369083.db2.gz	JCTFRITVGWYLIM-OGYNKXMDSA-N	1	1	421.541	1.527	20	0		HDADMO
Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1	ZINC001084540466	1076370480	/nfs/dbraw/zinc/37/04/80/1076370480.db2.gz	DUEVXZWGQGRVHJ-OBJCFNGXSA-N	1	1	402.539	1.857	20	0		HDADMO
Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1	ZINC001084540466	1076370487	/nfs/dbraw/zinc/37/04/87/1076370487.db2.gz	DUEVXZWGQGRVHJ-OBJCFNGXSA-N	1	1	402.539	1.857	20	0		HDADMO
COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1	ZINC000730022001	1076411806	/nfs/dbraw/zinc/41/18/06/1076411806.db2.gz	LPGGXNSTOAOFLD-CYBMUJFWSA-N	1	1	409.430	1.577	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1	ZINC000730022001	1076411811	/nfs/dbraw/zinc/41/18/11/1076411811.db2.gz	LPGGXNSTOAOFLD-CYBMUJFWSA-N	1	1	409.430	1.577	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1	ZINC000730035720	1076413654	/nfs/dbraw/zinc/41/36/54/1076413654.db2.gz	CXQYHMSDJUFYLA-INIZCTEOSA-N	1	1	419.551	1.860	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1	ZINC000730082835	1076430882	/nfs/dbraw/zinc/43/08/82/1076430882.db2.gz	GHOXTTUFJNHPOO-UHFFFAOYSA-N	1	1	408.300	1.559	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1	ZINC000730083448	1076431282	/nfs/dbraw/zinc/43/12/82/1076431282.db2.gz	LSCOPBSSDYILTB-ZWKOTPCHSA-N	1	1	413.515	1.184	20	0		HDADMO
COC1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000730083695	1076431501	/nfs/dbraw/zinc/43/15/01/1076431501.db2.gz	TUUVLSPIAUIHIB-DLBZAZTESA-N	1	1	411.543	1.460	20	0		HDADMO
O=C(c1cn(-c2ccccc2Br)nn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000730087602	1076441407	/nfs/dbraw/zinc/44/14/07/1076441407.db2.gz	WNGWOCJSVZTTTH-IAGOWNOFSA-N	1	1	420.311	1.701	20	0		HDADMO
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1c[nH+]ccc1-n1cccn1	ZINC000730088623	1076442853	/nfs/dbraw/zinc/44/28/53/1076442853.db2.gz	HQXIVKRNDLQXDN-OAQYLSRUSA-N	1	1	402.414	1.599	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730127293	1076459045	/nfs/dbraw/zinc/45/90/45/1076459045.db2.gz	NRGFDCGEKPONPL-HZPDHXFCSA-N	1	1	411.547	1.238	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000730123969	1076464902	/nfs/dbraw/zinc/46/49/02/1076464902.db2.gz	AUTYELQFKACHAV-KZNAEPCWSA-N	1	1	411.591	1.957	20	0		HDADMO
O=C([C@@H]1Cc2ccccc2C(=O)O1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000730219652	1076480857	/nfs/dbraw/zinc/48/08/57/1076480857.db2.gz	JLTZGPFBLMRKMV-NRFANRHFSA-N	1	1	409.486	1.914	20	0		HDADMO
C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730261481	1076503432	/nfs/dbraw/zinc/50/34/32/1076503432.db2.gz	KYVRLBUERFZILC-RHSMWYFYSA-N	1	1	408.524	1.331	20	0		HDADMO
C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730261481	1076503438	/nfs/dbraw/zinc/50/34/38/1076503438.db2.gz	KYVRLBUERFZILC-RHSMWYFYSA-N	1	1	408.524	1.331	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1	ZINC000730263521	1076505556	/nfs/dbraw/zinc/50/55/56/1076505556.db2.gz	WOPFLLPUMNJRRB-HNNXBMFYSA-N	1	1	422.551	1.632	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1	ZINC000730263521	1076505565	/nfs/dbraw/zinc/50/55/65/1076505565.db2.gz	WOPFLLPUMNJRRB-HNNXBMFYSA-N	1	1	422.551	1.632	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000730279742	1076520696	/nfs/dbraw/zinc/52/06/96/1076520696.db2.gz	FRQZUFFYOUGKGS-UHFFFAOYSA-N	1	1	413.547	1.869	20	0		HDADMO
COc1ccc2[nH]cc(C(=O)OCC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)c2c1	ZINC000730361092	1076550823	/nfs/dbraw/zinc/55/08/23/1076550823.db2.gz	GFLMHFOGDSKMAK-MRXNPFEDSA-N	1	1	403.479	1.806	20	0		HDADMO
CCc1cc(NNC(=S)NCCC[NH+]2CCOCC2)nc(-c2ccccn2)n1	ZINC000730468069	1076580618	/nfs/dbraw/zinc/58/06/18/1076580618.db2.gz	PYIJWDGRGRTNJO-UHFFFAOYSA-N	1	1	401.540	1.614	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000730559306	1076594543	/nfs/dbraw/zinc/59/45/43/1076594543.db2.gz	DBFMDHFJVBOVPP-INIZCTEOSA-N	1	1	415.506	1.925	20	0		HDADMO
CC(=O)[C@@H]1CC(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)=NN1c1ccccc1	ZINC000730559727	1076595049	/nfs/dbraw/zinc/59/50/49/1076595049.db2.gz	JQRPSWGQSMNBHB-UNMCSNQZSA-N	1	1	411.550	1.839	20	0		HDADMO
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1)O[C@@H](C)C2	ZINC000730585508	1076608888	/nfs/dbraw/zinc/60/88/88/1076608888.db2.gz	GUNFXWCJLVIKSC-OWQGQXMQSA-N	1	1	401.507	1.578	20	0		HDADMO
COCC[NH+]1CCN(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)CC1	ZINC000730676580	1076635952	/nfs/dbraw/zinc/63/59/52/1076635952.db2.gz	AEFJZMFDKOABBZ-MRXNPFEDSA-N	1	1	408.518	1.821	20	0		HDADMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O	ZINC000730785807	1076657443	/nfs/dbraw/zinc/65/74/43/1076657443.db2.gz	JYDJRRFBZCVFDI-LRAJWGHMSA-N	1	1	404.486	1.972	20	0		HDADMO
COCCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2S1(=O)=O	ZINC000730786759	1076657853	/nfs/dbraw/zinc/65/78/53/1076657853.db2.gz	ROOJNHKPRKDYRN-GASCZTMLSA-N	1	1	423.535	1.470	20	0		HDADMO
C[N@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O	ZINC000730803831	1076658016	/nfs/dbraw/zinc/65/80/16/1076658016.db2.gz	OWWOZKYUAOYSON-VFNWGFHPSA-N	1	1	416.478	1.726	20	0		HDADMO
C[N@@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O	ZINC000730803831	1076658019	/nfs/dbraw/zinc/65/80/19/1076658019.db2.gz	OWWOZKYUAOYSON-VFNWGFHPSA-N	1	1	416.478	1.726	20	0		HDADMO
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000730921246	1076694261	/nfs/dbraw/zinc/69/42/61/1076694261.db2.gz	QTUDIXREIMWXJB-ZDUSSCGKSA-N	1	1	415.462	1.708	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1	ZINC000730935602	1076695997	/nfs/dbraw/zinc/69/59/97/1076695997.db2.gz	DUZZKKJOSAFUBO-QGZVFWFLSA-N	1	1	408.568	1.877	20	0		HDADMO
COC(=O)N(C)CCCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000730970395	1076702145	/nfs/dbraw/zinc/70/21/45/1076702145.db2.gz	DYLCCQLQWZJXMT-SFHVURJKSA-N	1	1	404.511	1.479	20	0		HDADMO
COC(=O)N[C@H](C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC)C(C)C	ZINC000730965877	1076703640	/nfs/dbraw/zinc/70/36/40/1076703640.db2.gz	LTNNNQNYJOORIW-KRWDZBQOSA-N	1	1	406.483	1.402	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F	ZINC000731007214	1076709270	/nfs/dbraw/zinc/70/92/70/1076709270.db2.gz	JHYREOGFGWDOPU-AWEZNQCLSA-N	1	1	401.504	1.353	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cc(N)nc(Cl)c3)c2)C1	ZINC000731008367	1076710095	/nfs/dbraw/zinc/71/00/95/1076710095.db2.gz	FNDYWBKLRNGPSP-OAHLLOKOSA-N	1	1	401.898	1.945	20	0		HDADMO
C[C@@H](CN1CCOCC1)[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1	ZINC000731031243	1076714346	/nfs/dbraw/zinc/71/43/46/1076714346.db2.gz	XTAZPJVKVYDKLD-FQEVSTJZSA-N	1	1	417.550	1.575	20	0		HDADMO
C[C@@H](CN1CCOCC1)[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1	ZINC000731031243	1076714352	/nfs/dbraw/zinc/71/43/52/1076714352.db2.gz	XTAZPJVKVYDKLD-FQEVSTJZSA-N	1	1	417.550	1.575	20	0		HDADMO
O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000731133729	1076736608	/nfs/dbraw/zinc/73/66/08/1076736608.db2.gz	BDOUYRJDQMLNKW-LBPRGKRZSA-N	1	1	424.295	1.759	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(CCNC(=O)c2ccccc2F)CC1	ZINC000731160010	1076739285	/nfs/dbraw/zinc/73/92/85/1076739285.db2.gz	KJYILISTPNZXCP-QGZVFWFLSA-N	1	1	421.586	1.532	20	0		HDADMO
Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnn1-c1ccc(OC(F)F)cc1	ZINC000731188697	1076741999	/nfs/dbraw/zinc/74/19/99/1076741999.db2.gz	JFJSCEHKNXKMKE-GDBMZVCRSA-N	1	1	407.421	1.770	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2coc(C4CCC4)n2)C3)O1	ZINC001006216806	1076745114	/nfs/dbraw/zinc/74/51/14/1076745114.db2.gz	UDBDULWDEMBRHG-FIFHEGHSSA-N	1	1	402.495	1.523	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2coc(C4CCC4)n2)C3)O1	ZINC001006216806	1076745119	/nfs/dbraw/zinc/74/51/19/1076745119.db2.gz	UDBDULWDEMBRHG-FIFHEGHSSA-N	1	1	402.495	1.523	20	0		HDADMO
Cc1c(C(=O)NC2CC[NH+](CC(N)=O)CC2)nnn1-c1ccc(-c2ccccc2)cc1	ZINC000731223809	1076767708	/nfs/dbraw/zinc/76/77/08/1076767708.db2.gz	OTSRQQOVAGBUGY-UHFFFAOYSA-N	1	1	418.501	1.922	20	0		HDADMO
C[C@H](NC(=O)COC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(=O)N(C)C	ZINC000731256980	1076771511	/nfs/dbraw/zinc/77/15/11/1076771511.db2.gz	PGNITWITZFZIIK-IRXDYDNUSA-N	1	1	419.522	1.690	20	0		HDADMO
CNC(=O)Cc1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1	ZINC001196104490	1126153455	/nfs/dbraw/zinc/15/34/55/1126153455.db2.gz	MHLIQDOXHSHDGS-KRWDZBQOSA-N	1	1	409.284	1.130	20	0		HDADMO
COc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(S(C)(=O)=O)n1	ZINC001164623655	719079439	/nfs/dbraw/zinc/07/94/39/719079439.db2.gz	KDQZNJWVFHBDIR-SJORKVTESA-N	1	1	402.520	1.990	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nnc(Cl)c4ccncc43)CC2)C1=O	ZINC001164633940	719269225	/nfs/dbraw/zinc/26/92/25/719269225.db2.gz	JXGKWHGWPKJVCQ-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nnc(Cl)c4ccncc43)CC2)C1=O	ZINC001164633940	719269232	/nfs/dbraw/zinc/26/92/32/719269232.db2.gz	JXGKWHGWPKJVCQ-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2	ZINC001164686244	719700849	/nfs/dbraw/zinc/70/08/49/719700849.db2.gz	YIVWZDSVMYXZEO-UHFFFAOYSA-N	1	1	415.872	1.560	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)n1	ZINC001164682008	719703835	/nfs/dbraw/zinc/70/38/35/719703835.db2.gz	BDZJKLSGQOTXMO-UHFFFAOYSA-N	1	1	411.506	1.987	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc1	ZINC001164689322	719739454	/nfs/dbraw/zinc/73/94/54/719739454.db2.gz	AUHDCXWWAHEAFV-UHFFFAOYSA-N	1	1	423.583	1.293	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2	ZINC001164692016	719755559	/nfs/dbraw/zinc/75/55/59/719755559.db2.gz	QXFIWOXZOUGAJS-CYBMUJFWSA-N	1	1	409.918	1.587	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2	ZINC001164809966	720119390	/nfs/dbraw/zinc/11/93/90/720119390.db2.gz	IZVCUJYXYIROSD-BEFAXECRSA-N	1	1	410.540	1.073	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)C2	ZINC001164814316	720168989	/nfs/dbraw/zinc/16/89/89/720168989.db2.gz	FRLRHXBKYGWRNI-WIYYLYMNSA-N	1	1	422.595	1.953	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccnc(N3CCN(C)CC3)n1)C2	ZINC001164817147	720185373	/nfs/dbraw/zinc/18/53/73/720185373.db2.gz	OGEBOMZIMLDDPH-UGKGYDQZSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1S(N)(=O)=O)C2	ZINC001164813679	720186724	/nfs/dbraw/zinc/18/67/24/720186724.db2.gz	DLSUECKSGOAMGC-KSSFIOAISA-N	1	1	414.959	1.567	20	0		HDADMO
CCOC(=O)c1cnc(Cl)cc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2	ZINC001164716233	720212103	/nfs/dbraw/zinc/21/21/03/720212103.db2.gz	AXNDNXZWDUHIAZ-HXUWFJFHSA-N	1	1	424.929	1.577	20	0		HDADMO
CCOC(=O)c1cnc(Cl)cc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2	ZINC001164716233	720212105	/nfs/dbraw/zinc/21/21/05/720212105.db2.gz	AXNDNXZWDUHIAZ-HXUWFJFHSA-N	1	1	424.929	1.577	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(Cl)c(C(N)=O)n1)CCC2	ZINC001164815214	720212467	/nfs/dbraw/zinc/21/24/67/720212467.db2.gz	XBVUBLQLPBKSKC-UHFFFAOYSA-N	1	1	404.902	1.641	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CCCC4)C2)C1	ZINC001164717804	720224440	/nfs/dbraw/zinc/22/44/40/720224440.db2.gz	IQTNJZJNVVSUMT-HXUWFJFHSA-N	1	1	407.946	1.674	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CCCC4)C2)C1	ZINC001164717804	720224443	/nfs/dbraw/zinc/22/44/43/720224443.db2.gz	IQTNJZJNVVSUMT-HXUWFJFHSA-N	1	1	407.946	1.674	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(N)=O)nc(C3CC3)n1)CCC2	ZINC001164817338	720247942	/nfs/dbraw/zinc/24/79/42/720247942.db2.gz	QCWDXUKAQCXJKM-UHFFFAOYSA-N	1	1	411.510	1.260	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC(C)(C)C)cn3)C2)C1	ZINC001164718733	720252439	/nfs/dbraw/zinc/25/24/39/720252439.db2.gz	IBMGMBNYXZYGCT-QFIPXVFZSA-N	1	1	417.554	1.275	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC(C)(C)C)cn3)C2)C1	ZINC001164718733	720252442	/nfs/dbraw/zinc/25/24/42/720252442.db2.gz	IBMGMBNYXZYGCT-QFIPXVFZSA-N	1	1	417.554	1.275	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ncsc43)C2)C1	ZINC001164717567	720254173	/nfs/dbraw/zinc/25/41/73/720254173.db2.gz	BFICQHHFVOPDDO-QGZVFWFLSA-N	1	1	410.931	1.405	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ncsc43)C2)C1	ZINC001164717567	720254176	/nfs/dbraw/zinc/25/41/76/720254176.db2.gz	BFICQHHFVOPDDO-QGZVFWFLSA-N	1	1	410.931	1.405	20	0		HDADMO
CCOC(=O)/C=C/c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1	ZINC001164720657	720268480	/nfs/dbraw/zinc/26/84/80/720268480.db2.gz	BVVLGGLIISTZAV-IMAOXBOFSA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)/C=C/c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1	ZINC001164720657	720268499	/nfs/dbraw/zinc/26/84/99/720268499.db2.gz	BVVLGGLIISTZAV-IMAOXBOFSA-N	1	1	416.522	1.323	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)NC(C)(C)C)ccn3)C2)C1	ZINC001164723718	720270847	/nfs/dbraw/zinc/27/08/47/720270847.db2.gz	XFJCVERAYOGXII-JOCHJYFZSA-N	1	1	417.554	1.275	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)NC(C)(C)C)ccn3)C2)C1	ZINC001164723718	720270853	/nfs/dbraw/zinc/27/08/53/720270853.db2.gz	XFJCVERAYOGXII-JOCHJYFZSA-N	1	1	417.554	1.275	20	0		HDADMO
CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)C1	ZINC001164723711	720294777	/nfs/dbraw/zinc/29/47/77/720294777.db2.gz	XBIHLXPMVQGHMX-QFIPXVFZSA-N	1	1	401.555	1.341	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4scc(C)c43)C2)C1	ZINC001164721452	720297175	/nfs/dbraw/zinc/29/71/75/720297175.db2.gz	JQYFXPZNEFZESW-HXUWFJFHSA-N	1	1	403.552	1.973	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4scc(C)c43)C2)C1	ZINC001164721452	720297183	/nfs/dbraw/zinc/29/71/83/720297183.db2.gz	JQYFXPZNEFZESW-HXUWFJFHSA-N	1	1	403.552	1.973	20	0		HDADMO
CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164732852	720429957	/nfs/dbraw/zinc/42/99/57/720429957.db2.gz	ORGCRZYOQXVKEW-HGKJHCCASA-N	1	1	415.519	1.639	20	0		HDADMO
CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732852	720429968	/nfs/dbraw/zinc/42/99/68/720429968.db2.gz	ORGCRZYOQXVKEW-HGKJHCCASA-N	1	1	415.519	1.639	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cnc3C(N)=O)CC[C@@H]21	ZINC001164842447	720528869	/nfs/dbraw/zinc/52/88/69/720528869.db2.gz	XKXPXNNJTUKBIW-KKUMJFAQSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)N(C)[C@H](C)C(=O)N4)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164840716	720550162	/nfs/dbraw/zinc/55/01/62/720550162.db2.gz	SQBDZKDQKQWTTP-VXIBKDFQSA-N	1	1	424.553	1.828	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)N(C)CC(=O)N4)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164837350	720562131	/nfs/dbraw/zinc/56/21/31/720562131.db2.gz	LUEZDFZUNVBSDQ-XYJFISCASA-N	1	1	410.526	1.439	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164840208	720568085	/nfs/dbraw/zinc/56/80/85/720568085.db2.gz	SDWFOCFEKREXAX-KZNAEPCWSA-N	1	1	418.567	1.564	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccnc(N4CCOCC4)n3)CC[C@@H]21	ZINC001164836805	720568197	/nfs/dbraw/zinc/56/81/97/720568197.db2.gz	KYFGBRRLUWGDHY-UFYCRDLUSA-N	1	1	411.554	1.888	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164747589	720610038	/nfs/dbraw/zinc/61/00/38/720610038.db2.gz	ZWKRVGXOHQWHQW-KBPBESRZSA-N	1	1	416.507	1.507	20	0		HDADMO
COC(=O)c1ccc2cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2c1	ZINC001164744976	720634608	/nfs/dbraw/zinc/63/46/08/720634608.db2.gz	SUKWNPRGQMBZFZ-IAGOWNOFSA-N	1	1	406.446	1.548	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739395	720701543	/nfs/dbraw/zinc/70/15/43/720701543.db2.gz	NOWQEMHWBGFGKL-ZIAGYGMSSA-N	1	1	418.885	1.368	20	0		HDADMO
COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c(OC)c1	ZINC001164738477	720710818	/nfs/dbraw/zinc/71/08/18/720710818.db2.gz	JYQPUCBVBUNJOK-GOEBONIOSA-N	1	1	408.462	1.779	20	0		HDADMO
O=C1NCc2c1c(N1CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C1)nc(Cl)c2F	ZINC001164739285	720712690	/nfs/dbraw/zinc/71/26/90/720712690.db2.gz	MTGDFEQYSLWZDF-QWRGUYRKSA-N	1	1	404.833	1.249	20	0		HDADMO
Cc1cc(NC(=O)c2cccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)no1	ZINC001164743426	720755837	/nfs/dbraw/zinc/75/58/37/720755837.db2.gz	QBZBCVIGIAJPHJ-HOTGVXAUSA-N	1	1	421.461	1.762	20	0		HDADMO
FC(F)(COc1ccc(Cl)nn1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743422	720761589	/nfs/dbraw/zinc/76/15/89/720761589.db2.gz	QAEFMTICOMVKEP-STQMWFEESA-N	1	1	412.828	1.729	20	0		HDADMO
FC(F)(COc1cncc(Cl)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164738990	720770947	/nfs/dbraw/zinc/77/09/47/720770947.db2.gz	HIBNSKJMADSHGN-CHWSQXEVSA-N	1	1	412.828	1.729	20	0		HDADMO
O=C1COc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2N1	ZINC001164745939	720832586	/nfs/dbraw/zinc/83/25/86/720832586.db2.gz	OGYQYNCVOHCRPN-IXDOHACOSA-N	1	1	409.494	1.383	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc4ccc(C(=O)OC)cc4n3)CC[C@H]2C1	ZINC001164856409	720839646	/nfs/dbraw/zinc/83/96/46/720839646.db2.gz	WEGSXRCHBJKGQB-PKOBYXMFSA-N	1	1	400.479	1.590	20	0		HDADMO
CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c12	ZINC001164851363	720843254	/nfs/dbraw/zinc/84/32/54/720843254.db2.gz	GUOQMAJBVWJJFJ-HOCLYGCPSA-N	1	1	403.483	1.308	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)c12	ZINC001164851363	720843255	/nfs/dbraw/zinc/84/32/55/720843255.db2.gz	GUOQMAJBVWJJFJ-HOCLYGCPSA-N	1	1	403.483	1.308	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c12	ZINC001164851363	720843256	/nfs/dbraw/zinc/84/32/56/720843256.db2.gz	GUOQMAJBVWJJFJ-HOCLYGCPSA-N	1	1	403.483	1.308	20	0		HDADMO
CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164743943	720843618	/nfs/dbraw/zinc/84/36/18/720843618.db2.gz	JXSIOVUKQUVKCR-YESZJQIVSA-N	1	1	422.537	1.677	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cc1OCC	ZINC001164856908	720853485	/nfs/dbraw/zinc/85/34/85/720853485.db2.gz	PWOGHEBDNSQGFT-VQIMIIECSA-N	1	1	407.511	1.831	20	0		HDADMO
NC(=S)Nc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164754020	720853958	/nfs/dbraw/zinc/85/39/58/720853958.db2.gz	ZQSXHOXKAZQQOH-CGTJXYLNSA-N	1	1	412.567	1.708	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1	ZINC001164851972	720867620	/nfs/dbraw/zinc/86/76/20/720867620.db2.gz	BKLONEZWZZRXJA-VQIMIIECSA-N	1	1	420.554	1.732	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@@H]2C1	ZINC001164865290	720877325	/nfs/dbraw/zinc/87/73/25/720877325.db2.gz	ZSMFXYCYZIKQQR-NEPJUHHUSA-N	1	1	416.860	1.676	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3ncn4-c3ccccc3)CC[C@H]2C1	ZINC001164865006	720885504	/nfs/dbraw/zinc/88/55/04/720885504.db2.gz	XVYDLMDPHCMEAM-PKOBYXMFSA-N	1	1	408.506	1.989	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nnc3OC)CC[C@H]2C1	ZINC001164862883	720890060	/nfs/dbraw/zinc/89/00/60/720890060.db2.gz	RSLBDRQRYJYCOU-GXTWGEPZSA-N	1	1	406.861	1.857	20	0		HDADMO
COC(=O)c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C(=O)OC	ZINC001164768318	721086412	/nfs/dbraw/zinc/08/64/12/721086412.db2.gz	MTQVQUZEZGKMKA-HZPDHXFCSA-N	1	1	413.478	1.347	20	0		HDADMO
CCOC(=O)c1cc(Cl)nnc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164761579	721096087	/nfs/dbraw/zinc/09/60/87/721096087.db2.gz	CAIJFWBBHWZHJG-CABCVRRESA-N	1	1	404.902	1.999	20	0		HDADMO
O=C1NCc2c1c(N1CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C1)nc(Cl)c2F	ZINC001164865617	721099386	/nfs/dbraw/zinc/09/93/86/721099386.db2.gz	NMQOYRSCECPXRH-ZIAGYGMSSA-N	1	1	417.872	1.992	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164773087	721100757	/nfs/dbraw/zinc/10/07/57/721100757.db2.gz	WAPYJYZVIWMYHW-LSDHHAIUSA-N	1	1	417.539	1.462	20	0		HDADMO
COC(=O)c1nc2cnccc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164865232	721102573	/nfs/dbraw/zinc/10/25/73/721102573.db2.gz	JQVQDWZYJDKHQC-IAGOWNOFSA-N	1	1	420.473	1.686	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164762058	721119039	/nfs/dbraw/zinc/11/90/39/721119039.db2.gz	BHZXHHOAZAHVPT-CVEARBPZSA-N	1	1	400.483	1.354	20	0		HDADMO
O=c1ccccn1-c1nccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164875477	721155984	/nfs/dbraw/zinc/15/59/84/721155984.db2.gz	LRCDFYHCOHNCEO-MOPGFXCFSA-N	1	1	404.474	1.502	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@H]3C2)cn1	ZINC001164764307	721164535	/nfs/dbraw/zinc/16/45/35/721164535.db2.gz	GZZSIYOBHSYUJQ-RBUKOAKNSA-N	1	1	408.506	1.422	20	0		HDADMO
CCOC(=O)c1ncnc(Cl)c1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164769311	721184701	/nfs/dbraw/zinc/18/47/01/721184701.db2.gz	MAKRJMKEHXKJMW-HUUCEWRRSA-N	1	1	404.902	1.999	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164867458	721194822	/nfs/dbraw/zinc/19/48/22/721194822.db2.gz	GHKJTQPFWLYJMM-CVEARBPZSA-N	1	1	416.913	1.754	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@@H]3C2)cn1	ZINC001164767558	721203328	/nfs/dbraw/zinc/20/33/28/721203328.db2.gz	JZLULYFLXSZXRS-SJORKVTESA-N	1	1	416.551	1.214	20	0		HDADMO
COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164876798	721264265	/nfs/dbraw/zinc/26/42/65/721264265.db2.gz	PRBLEFYUEPKEAE-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4cc(F)ccc43)CC2)C1	ZINC001164868600	721264365	/nfs/dbraw/zinc/26/43/65/721264365.db2.gz	DTEBHWPDLYSWEP-UHFFFAOYSA-N	1	1	401.486	1.776	20	0		HDADMO
CCOC(=O)c1cc(C)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164868977	721265589	/nfs/dbraw/zinc/26/55/89/721265589.db2.gz	HZOISQXGNDAAPZ-UHFFFAOYSA-N	1	1	418.538	1.574	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4nc(Cl)ccc43)CC2)C1	ZINC001164869379	721265854	/nfs/dbraw/zinc/26/58/54/721265854.db2.gz	MQUHCNMOSZDHNQ-UHFFFAOYSA-N	1	1	418.929	1.685	20	0		HDADMO
COc1ccc2ncc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc2c1	ZINC001164869326	721273773	/nfs/dbraw/zinc/27/37/73/721273773.db2.gz	KFVPWTAVLSODEG-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC2)C1	ZINC001164872140	721275364	/nfs/dbraw/zinc/27/53/64/721275364.db2.gz	AXVBQDVHRVUPCJ-UHFFFAOYSA-N	1	1	421.929	1.237	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cncc(N4CCCC4)n3)CC2)C1	ZINC001164873301	721280721	/nfs/dbraw/zinc/28/07/21/721280721.db2.gz	KYEWDTFXCWWHTN-UHFFFAOYSA-N	1	1	402.543	1.084	20	0		HDADMO
COc1cnc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164872946	721282707	/nfs/dbraw/zinc/28/27/07/721282707.db2.gz	IZRLWYIQYDIRLN-UHFFFAOYSA-N	1	1	414.510	1.040	20	0		HDADMO
Cc1ccc(N2CCO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]32)nn1	ZINC001164777250	721313742	/nfs/dbraw/zinc/31/37/42/721313742.db2.gz	SFELHUIQAAPCNQ-UXHICEINSA-N	1	1	410.522	1.747	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1	ZINC001164882485	721337920	/nfs/dbraw/zinc/33/79/20/721337920.db2.gz	FHNXQZWZDOYQFF-WMZHIEFXSA-N	1	1	414.550	1.768	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1	ZINC001164882483	721338195	/nfs/dbraw/zinc/33/81/95/721338195.db2.gz	FHNXQZWZDOYQFF-AUSIDOKSSA-N	1	1	414.550	1.768	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1	ZINC001164886768	721382281	/nfs/dbraw/zinc/38/22/81/721382281.db2.gz	GDXNILMHEHFHIL-KUHUBIRLSA-N	1	1	405.934	1.772	20	0		HDADMO
CCOC(=O)Cc1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164884967	721390338	/nfs/dbraw/zinc/39/03/38/721390338.db2.gz	BEYSDCUSHDAFPR-OFNKIYASSA-N	1	1	416.566	1.953	20	0		HDADMO
CCOC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164887788	721391780	/nfs/dbraw/zinc/39/17/80/721391780.db2.gz	IJYXRGPUMPFJFA-LAUBAEHRSA-N	1	1	403.527	1.419	20	0		HDADMO
CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890547	721398473	/nfs/dbraw/zinc/39/84/73/721398473.db2.gz	OCCFCXMPEPWKCC-PGRDOPGGSA-N	1	1	417.554	1.727	20	0		HDADMO
Cn1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164892005	721402142	/nfs/dbraw/zinc/40/21/42/721402142.db2.gz	XWQMVMXIRSMKTP-MGPUTAFESA-N	1	1	419.961	1.782	20	0		HDADMO
COC(=O)Cc1cccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164886497	721406717	/nfs/dbraw/zinc/40/67/17/721406717.db2.gz	JFCKKXDYSCHOSG-DENIHFKCSA-N	1	1	402.539	1.563	20	0		HDADMO
COC(=O)Cc1cccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164886498	721406844	/nfs/dbraw/zinc/40/68/44/721406844.db2.gz	JFCKKXDYSCHOSG-KNQAVFIVSA-N	1	1	402.539	1.563	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(n4)OCC(=O)N5)C3)O2)CC1	ZINC001164887722	721410299	/nfs/dbraw/zinc/41/02/99/721410299.db2.gz	MSGBEZXBVRKOJY-HRAATJIYSA-N	1	1	401.511	1.178	20	0		HDADMO
COc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1	ZINC001164889959	721411397	/nfs/dbraw/zinc/41/13/97/721411397.db2.gz	RXAXSTICUSANGW-UZLBHIALSA-N	1	1	407.584	1.973	20	0		HDADMO
CN1c2cnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2N2CCC[C@@H]2C1=O	ZINC001164789502	721412169	/nfs/dbraw/zinc/41/21/69/721412169.db2.gz	UPBZSQPLXCIORJ-QLFBSQMISA-N	1	1	411.535	1.447	20	0		HDADMO
CN1c2cnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2N2CCC[C@@H]2C1=O	ZINC001164789502	721412173	/nfs/dbraw/zinc/41/21/73/721412173.db2.gz	UPBZSQPLXCIORJ-QLFBSQMISA-N	1	1	411.535	1.447	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C(N)=O)C3)O2)CC1	ZINC001164888327	721413382	/nfs/dbraw/zinc/41/33/82/721413382.db2.gz	OFYKVLAUEMXBEX-MGPUTAFESA-N	1	1	407.946	1.599	20	0		HDADMO
CN(C)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164884635	721415748	/nfs/dbraw/zinc/41/57/48/721415748.db2.gz	FGQWICROAZQFJP-OXQOHEQNSA-N	1	1	408.978	1.961	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(n4)NC(=O)CO5)C3)O2)CC1	ZINC001164888374	721417424	/nfs/dbraw/zinc/41/74/24/721417424.db2.gz	OLGMLQQXHBLKGX-KKSFZXQISA-N	1	1	401.511	1.178	20	0		HDADMO
C[C@@H]1C(=O)Nc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c21	ZINC001164886601	721417917	/nfs/dbraw/zinc/41/79/17/721417917.db2.gz	KHDRKJCXGXSYAB-QYWGDWMGSA-N	1	1	400.527	1.298	20	0		HDADMO
COc1cnc2c(c1)ncnc2N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164895435	721428536	/nfs/dbraw/zinc/42/85/36/721428536.db2.gz	PASIBPAHAGOTSZ-VGSWGCGISA-N	1	1	412.538	1.799	20	0		HDADMO
O=S(=O)(c1ccnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1)N1CCCC1	ZINC001164785692	721431844	/nfs/dbraw/zinc/43/18/44/721431844.db2.gz	OBFSPESTUGBGGD-HZPDHXFCSA-N	1	1	419.576	1.891	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)n1)CC2	ZINC001164790196	721454928	/nfs/dbraw/zinc/45/49/28/721454928.db2.gz	XHTMZXAALSWQPY-GOSISDBHSA-N	1	1	418.538	1.997	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164903049	721542882	/nfs/dbraw/zinc/54/28/82/721542882.db2.gz	BYKUBENGDUGQMC-DOTOQJQBSA-N	1	1	406.483	1.471	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164907593	721543072	/nfs/dbraw/zinc/54/30/72/721543072.db2.gz	NGLQJYIIGALJSD-FUHWJXTLSA-N	1	1	420.510	1.861	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@@H]2CCCO[C@@H]21	ZINC001164804505	721546118	/nfs/dbraw/zinc/54/61/18/721546118.db2.gz	KBHIKVQXCJVQQK-CPUCHLNUSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@@H]2CCCO[C@@H]21	ZINC001164804505	721546120	/nfs/dbraw/zinc/54/61/20/721546120.db2.gz	KBHIKVQXCJVQQK-CPUCHLNUSA-N	1	1	402.886	1.492	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1	ZINC001164906897	721552635	/nfs/dbraw/zinc/55/26/35/721552635.db2.gz	LJQBAOHGRASTBG-DOTOQJQBSA-N	1	1	406.483	1.471	20	0		HDADMO
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@@H]12	ZINC001164800348	721570051	/nfs/dbraw/zinc/57/00/51/721570051.db2.gz	FCUZZHMQENITQL-MQSCRBSSSA-N	1	1	408.550	1.754	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1)C1CC1	ZINC001165023737	721777517	/nfs/dbraw/zinc/77/75/17/721777517.db2.gz	UNHANGASDHNGIB-NZQKXSOJSA-N	1	1	414.550	1.910	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(S(N)(=O)=O)cc3F)C[C@@H]21	ZINC001165027708	721831379	/nfs/dbraw/zinc/83/13/79/721831379.db2.gz	TWSRSTRSWJEQFG-UCLAIMLFSA-N	1	1	419.526	2.000	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1C(=O)OCC	ZINC001164929014	721855746	/nfs/dbraw/zinc/85/57/46/721855746.db2.gz	PRYBAVASPYKYBB-JKSUJKDBSA-N	1	1	405.499	1.045	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1C(=O)OCC	ZINC001164929014	721855749	/nfs/dbraw/zinc/85/57/49/721855749.db2.gz	PRYBAVASPYKYBB-JKSUJKDBSA-N	1	1	405.499	1.045	20	0		HDADMO
CCOC(=O)C[C@H]1C(=O)NCCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2	ZINC001165034920	721874709	/nfs/dbraw/zinc/87/47/09/721874709.db2.gz	QFLIIMHNFQBKLH-FQEVSTJZSA-N	1	1	408.502	1.898	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)C1	ZINC001164930166	721880659	/nfs/dbraw/zinc/88/06/59/721880659.db2.gz	CIELEZCYNZGIBN-GUDVDZBRSA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)C1	ZINC001164930166	721880661	/nfs/dbraw/zinc/88/06/61/721880661.db2.gz	CIELEZCYNZGIBN-GUDVDZBRSA-N	1	1	416.570	1.471	20	0		HDADMO
COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@H]2OCC[N@@H+](Cc3c(C)noc3C)[C@H]2C1	ZINC001164944001	721938104	/nfs/dbraw/zinc/93/81/04/721938104.db2.gz	QSHLKWBSUNLMLB-DLBZAZTESA-N	1	1	412.450	1.391	20	0		HDADMO
O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3nc[nH]c31)CC2	ZINC001164949413	721969326	/nfs/dbraw/zinc/96/93/26/721969326.db2.gz	XPDSMQUENVFHQN-UHFFFAOYSA-N	1	1	411.897	1.977	20	0		HDADMO
O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3nc[nH]c31)CC2	ZINC001164949413	721969327	/nfs/dbraw/zinc/96/93/27/721969327.db2.gz	XPDSMQUENVFHQN-UHFFFAOYSA-N	1	1	411.897	1.977	20	0		HDADMO
O=C1COc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ccc2N1	ZINC001164945882	721973854	/nfs/dbraw/zinc/97/38/54/721973854.db2.gz	UJVGCVWRJQSEJB-UHFFFAOYSA-N	1	1	407.474	1.384	20	0		HDADMO
O=C1COc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ccc2N1	ZINC001164945882	721973857	/nfs/dbraw/zinc/97/38/57/721973857.db2.gz	UJVGCVWRJQSEJB-UHFFFAOYSA-N	1	1	407.474	1.384	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCCn4cnc(COc5cccnc5)c4C3)n2)CC1	ZINC001164950358	721998369	/nfs/dbraw/zinc/99/83/69/721998369.db2.gz	INDBFHQUPUMUCE-UHFFFAOYSA-N	1	1	420.521	1.809	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[NH+](CCc4ccccn4)CC3)n2)CC1	ZINC001165056528	722015651	/nfs/dbraw/zinc/01/56/51/722015651.db2.gz	VDKAQTCBFVGFNQ-UHFFFAOYSA-N	1	1	410.522	1.626	20	0		HDADMO
Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]32)cn1	ZINC001164958368	722032073	/nfs/dbraw/zinc/03/20/73/722032073.db2.gz	OQUXEUZJXUNYJE-CEWLAPEOSA-N	1	1	424.549	1.681	20	0		HDADMO
NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1	ZINC001164962307	722055357	/nfs/dbraw/zinc/05/53/57/722055357.db2.gz	CVFXLJPKQIIAET-UHFFFAOYSA-N	1	1	417.535	1.243	20	0		HDADMO
O=C1COc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc2N1	ZINC001164964589	722055732	/nfs/dbraw/zinc/05/57/32/722055732.db2.gz	VWPKJJZQMDTUEA-UHFFFAOYSA-N	1	1	409.490	1.927	20	0		HDADMO
Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CNCC2	ZINC001164986004	722100007	/nfs/dbraw/zinc/10/00/07/722100007.db2.gz	XQWRGKLQOHOBMZ-VQIMIIECSA-N	1	1	414.941	1.898	20	0		HDADMO
Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CNCC2	ZINC001164986004	722100008	/nfs/dbraw/zinc/10/00/08/722100008.db2.gz	XQWRGKLQOHOBMZ-VQIMIIECSA-N	1	1	414.941	1.898	20	0		HDADMO
NC(=O)c1ncc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164973106	722110280	/nfs/dbraw/zinc/11/02/80/722110280.db2.gz	GOYWOWTWMYDAQL-HUUCEWRRSA-N	1	1	402.886	1.351	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC001164978936	722148852	/nfs/dbraw/zinc/14/88/52/722148852.db2.gz	LCDQANCKPPHASV-VQTJNVASSA-N	1	1	411.506	1.837	20	0		HDADMO
COC(=O)c1cc(Cl)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164996104	722230562	/nfs/dbraw/zinc/23/05/62/722230562.db2.gz	FJJOSKBXOSUQPP-UHFFFAOYSA-N	1	1	416.913	1.669	20	0		HDADMO
COc1cccc2c1ncnc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996517	722230805	/nfs/dbraw/zinc/23/08/05/722230805.db2.gz	ITOLVYUMOARRIE-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
Cn1cnc2c1nc(Cl)nc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997675	722232115	/nfs/dbraw/zinc/23/21/15/722232115.db2.gz	SAPZROPQRDDUSU-UHFFFAOYSA-N	1	1	413.917	1.164	20	0		HDADMO
CSc1nc(Cl)ncc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996305	722233099	/nfs/dbraw/zinc/23/30/99/722233099.db2.gz	BNWDJVKHOSAXBK-UHFFFAOYSA-N	1	1	405.959	1.999	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4ncsc42)CC3)CC1	ZINC001164996358	722233817	/nfs/dbraw/zinc/23/38/17/722233817.db2.gz	CVOLFKVGOUSYBE-UHFFFAOYSA-N	1	1	416.942	1.887	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCc4onc(C(=O)Nc5cccnc5)c4C3)n2)CC1	ZINC001165002159	722248371	/nfs/dbraw/zinc/24/83/71/722248371.db2.gz	XUOXSCNZXCLZQK-UHFFFAOYSA-N	1	1	420.477	1.426	20	0		HDADMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCNC(=O)C(C)(C)C)cn1	ZINC000509072442	1073461676	/nfs/dbraw/zinc/46/16/76/1073461676.db2.gz	YKZHTYUGIKBKRH-UXHICEINSA-N	1	1	411.550	1.914	20	0		HDADMO
Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1S(N)(=O)=O	ZINC000673639264	1073468324	/nfs/dbraw/zinc/46/83/24/1073468324.db2.gz	GFIJJZNFXOHWTR-UHFFFAOYSA-N	1	1	416.547	1.320	20	0		HDADMO
Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000625097551	1073486924	/nfs/dbraw/zinc/48/69/24/1073486924.db2.gz	NHNGTWJXDSEMHR-GOSISDBHSA-N	1	1	411.506	1.808	20	0		HDADMO
O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000673643132	1073488373	/nfs/dbraw/zinc/48/83/73/1073488373.db2.gz	LYZQMHLYDYUIBM-WMZHIEFXSA-N	1	1	408.502	1.896	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1	ZINC001299281564	1073489224	/nfs/dbraw/zinc/48/92/24/1073489224.db2.gz	OUXLLICOFQLVEB-IRXDYDNUSA-N	1	1	410.559	1.691	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1	ZINC000429060207	1073493765	/nfs/dbraw/zinc/49/37/65/1073493765.db2.gz	LLSHAMJKXBGJIE-PKOBYXMFSA-N	1	1	409.552	1.732	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)nn1	ZINC000429071966	1073514472	/nfs/dbraw/zinc/51/44/72/1073514472.db2.gz	SMIWPPKLLGZZSM-UHFFFAOYSA-N	1	1	400.483	1.087	20	0		HDADMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000429088551	1073539479	/nfs/dbraw/zinc/53/94/79/1073539479.db2.gz	SYZZCFCAHDDRGY-QZTJIDSGSA-N	1	1	414.558	1.618	20	0		HDADMO
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000429104101	1073588921	/nfs/dbraw/zinc/58/89/21/1073588921.db2.gz	PCJKRGDIMKVZGB-FQEVSTJZSA-N	1	1	400.523	1.975	20	0		HDADMO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)c1	ZINC000673661577	1073615596	/nfs/dbraw/zinc/61/55/96/1073615596.db2.gz	INFFSGPLSRTXRW-YADHBBJMSA-N	1	1	400.567	1.565	20	0		HDADMO
CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673669204	1073622471	/nfs/dbraw/zinc/62/24/71/1073622471.db2.gz	FKUJFDZVZSSGKR-NRFANRHFSA-N	1	1	400.567	1.888	20	0		HDADMO
CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673669204	1073622473	/nfs/dbraw/zinc/62/24/73/1073622473.db2.gz	FKUJFDZVZSSGKR-NRFANRHFSA-N	1	1	400.567	1.888	20	0		HDADMO
CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668945	1073623211	/nfs/dbraw/zinc/62/32/11/1073623211.db2.gz	CVKUEKAJXBTYLR-RXVVDRJESA-N	1	1	419.614	1.978	20	0		HDADMO
CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668945	1073623216	/nfs/dbraw/zinc/62/32/16/1073623216.db2.gz	CVKUEKAJXBTYLR-RXVVDRJESA-N	1	1	419.614	1.978	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1	ZINC000673670093	1073624669	/nfs/dbraw/zinc/62/46/69/1073624669.db2.gz	ZFPFRFBDFFBYCO-MJGOQNOKSA-N	1	1	405.587	1.635	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1	ZINC000673670093	1073624674	/nfs/dbraw/zinc/62/46/74/1073624674.db2.gz	ZFPFRFBDFFBYCO-MJGOQNOKSA-N	1	1	405.587	1.635	20	0		HDADMO
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673673620	1073629377	/nfs/dbraw/zinc/62/93/77/1073629377.db2.gz	YBIKZLPEVZGWBK-HKUYNNGSSA-N	1	1	414.472	1.402	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000673685173	1073640149	/nfs/dbraw/zinc/64/01/49/1073640149.db2.gz	VYJOMFBJJDQJGD-FQEVSTJZSA-N	1	1	416.547	1.791	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000673685173	1073640156	/nfs/dbraw/zinc/64/01/56/1073640156.db2.gz	VYJOMFBJJDQJGD-FQEVSTJZSA-N	1	1	416.547	1.791	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1	ZINC000673700952	1073644327	/nfs/dbraw/zinc/64/43/27/1073644327.db2.gz	GRDZWNXLUYLIST-YJBOKZPZSA-N	1	1	421.563	1.746	20	0		HDADMO
CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000673715693	1073654870	/nfs/dbraw/zinc/65/48/70/1073654870.db2.gz	JKAJJDSCNYRCSA-IBGZPJMESA-N	1	1	416.547	1.869	20	0		HDADMO
C[N@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000673715693	1073654886	/nfs/dbraw/zinc/65/48/86/1073654886.db2.gz	JKAJJDSCNYRCSA-IBGZPJMESA-N	1	1	416.547	1.869	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000673715693	1073654899	/nfs/dbraw/zinc/65/48/99/1073654899.db2.gz	JKAJJDSCNYRCSA-IBGZPJMESA-N	1	1	416.547	1.869	20	0		HDADMO
CS(=O)(=O)Cc1cccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000500035521	1073665985	/nfs/dbraw/zinc/66/59/85/1073665985.db2.gz	GDEOSOWGDLFUHA-UHFFFAOYSA-N	1	1	416.547	1.568	20	0		HDADMO
C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)CCO1	ZINC000509130696	1073671707	/nfs/dbraw/zinc/67/17/07/1073671707.db2.gz	ZYZDIHADJLTYBQ-PXNSSMCTSA-N	1	1	403.523	1.328	20	0		HDADMO
O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1)Nc1ccon1	ZINC000946690056	1073687478	/nfs/dbraw/zinc/68/74/78/1073687478.db2.gz	NXFOGNFSBYDHQS-IBZGSYRLSA-N	1	1	400.479	1.207	20	0		HDADMO
O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1)Nc1ccon1	ZINC000946690056	1073687481	/nfs/dbraw/zinc/68/74/81/1073687481.db2.gz	NXFOGNFSBYDHQS-IBZGSYRLSA-N	1	1	400.479	1.207	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	ZINC000673752850	1073687711	/nfs/dbraw/zinc/68/77/11/1073687711.db2.gz	ZQNVPTJSDZVGFT-INIZCTEOSA-N	1	1	421.501	1.369	20	0		HDADMO
CCCn1nnnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1	ZINC000946687998	1073692970	/nfs/dbraw/zinc/69/29/70/1073692970.db2.gz	FZLMFEGWIPEVGV-XWEXYQFDSA-N	1	1	400.527	1.177	20	0		HDADMO
CCCn1nnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1	ZINC000946687998	1073692976	/nfs/dbraw/zinc/69/29/76/1073692976.db2.gz	FZLMFEGWIPEVGV-XWEXYQFDSA-N	1	1	400.527	1.177	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000673758735	1073698384	/nfs/dbraw/zinc/69/83/84/1073698384.db2.gz	SIEJWRLHOIGARG-QGZVFWFLSA-N	1	1	416.547	1.869	20	0		HDADMO
CCN(C(=O)CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000673759023	1073698834	/nfs/dbraw/zinc/69/88/34/1073698834.db2.gz	WKWNKGQOMDUJCB-UYAOXDASSA-N	1	1	407.580	1.618	20	0		HDADMO
CCN(C(=O)CN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000673759023	1073698840	/nfs/dbraw/zinc/69/88/40/1073698840.db2.gz	WKWNKGQOMDUJCB-UYAOXDASSA-N	1	1	407.580	1.618	20	0		HDADMO
Cc1cccn2cc(CCNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)nc12	ZINC000673772934	1073706370	/nfs/dbraw/zinc/70/63/70/1073706370.db2.gz	LIYWDQNGLULINN-GOSISDBHSA-N	1	1	400.527	1.427	20	0		HDADMO
C[C@H](CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1	ZINC000673775367	1073709020	/nfs/dbraw/zinc/70/90/20/1073709020.db2.gz	GQJPHLRWGXHGTF-QGZVFWFLSA-N	1	1	411.572	1.031	20	0		HDADMO
CN1CCOc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc21	ZINC000673783406	1073721544	/nfs/dbraw/zinc/72/15/44/1073721544.db2.gz	SVRPZFNILIJUKT-KRWDZBQOSA-N	1	1	402.495	1.167	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)C[C@H](C)O1	ZINC000509144688	1073729417	/nfs/dbraw/zinc/72/94/17/1073729417.db2.gz	RNHAGIFZAIAAFW-YHELAOLJSA-N	1	1	417.550	1.717	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)C[C@H](C)O1	ZINC000509144688	1073729421	/nfs/dbraw/zinc/72/94/21/1073729421.db2.gz	RNHAGIFZAIAAFW-YHELAOLJSA-N	1	1	417.550	1.717	20	0		HDADMO
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@@H](C)O1	ZINC000673810703	1073754102	/nfs/dbraw/zinc/75/41/02/1073754102.db2.gz	CVBPYZNGUMYVMY-BFYDXBDKSA-N	1	1	404.515	1.125	20	0		HDADMO
CNC(=O)c1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cn1C	ZINC000673824856	1073771112	/nfs/dbraw/zinc/77/11/12/1073771112.db2.gz	RQNAIMIRURVSRL-INIZCTEOSA-N	1	1	404.536	1.670	20	0		HDADMO
CNC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cn1C	ZINC000673824856	1073771120	/nfs/dbraw/zinc/77/11/20/1073771120.db2.gz	RQNAIMIRURVSRL-INIZCTEOSA-N	1	1	404.536	1.670	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000429144887	1073775033	/nfs/dbraw/zinc/77/50/33/1073775033.db2.gz	UKBABUBOZLUDBG-GOSISDBHSA-N	1	1	405.543	1.791	20	0		HDADMO
CC(C)c1[nH+]ccn1CCC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000946730258	1073796237	/nfs/dbraw/zinc/79/62/37/1073796237.db2.gz	MPBSZZORYRFMGM-GJNTUIEKSA-N	1	1	400.523	1.927	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673833313	1073797603	/nfs/dbraw/zinc/79/76/03/1073797603.db2.gz	CLJCZTVSHZGFOH-LJQANCHMSA-N	1	1	408.506	1.862	20	0		HDADMO
O=C(NCc1nnc2ccccn21)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000670422572	1073800413	/nfs/dbraw/zinc/80/04/13/1073800413.db2.gz	GYVQEEWFPFYWTJ-YQQQUEKLSA-N	1	1	418.501	1.657	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1	ZINC000057260698	1073803147	/nfs/dbraw/zinc/80/31/47/1073803147.db2.gz	MHUNRUYEXUWXBP-MRXNPFEDSA-N	1	1	400.504	1.956	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1	ZINC000057260698	1073803157	/nfs/dbraw/zinc/80/31/57/1073803157.db2.gz	MHUNRUYEXUWXBP-MRXNPFEDSA-N	1	1	400.504	1.956	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1	ZINC000057260699	1073803307	/nfs/dbraw/zinc/80/33/07/1073803307.db2.gz	MHUNRUYEXUWXBP-INIZCTEOSA-N	1	1	400.504	1.956	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1	ZINC000057260699	1073803316	/nfs/dbraw/zinc/80/33/16/1073803316.db2.gz	MHUNRUYEXUWXBP-INIZCTEOSA-N	1	1	400.504	1.956	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000509161228	1073806012	/nfs/dbraw/zinc/80/60/12/1073806012.db2.gz	ARQBUZGEPFBMIE-AQNXPRMDSA-N	1	1	421.563	1.496	20	0		HDADMO
CC[C@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1c(C)noc1C	ZINC000543494853	1073834947	/nfs/dbraw/zinc/83/49/47/1073834947.db2.gz	ABZMOAJEZWPOLN-INIZCTEOSA-N	1	1	412.498	1.358	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1	ZINC000673911837	1073883660	/nfs/dbraw/zinc/88/36/60/1073883660.db2.gz	GBMWIOCZQMPBNA-UZLBHIALSA-N	1	1	416.522	1.935	20	0		HDADMO
COc1ccccc1C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C	ZINC000673912489	1073884889	/nfs/dbraw/zinc/88/48/89/1073884889.db2.gz	JOEKYEMXSADAON-RTWAWAEBSA-N	1	1	418.582	1.968	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2=O)c1	ZINC000673914914	1073886343	/nfs/dbraw/zinc/88/63/43/1073886343.db2.gz	GXTXTSDMYXWIQE-DYESRHJHSA-N	1	1	402.539	1.521	20	0		HDADMO
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC001128561272	1073905712	/nfs/dbraw/zinc/90/57/12/1073905712.db2.gz	UVUNYXSZPQTABA-KDURUIRLSA-N	1	1	414.550	1.386	20	0		HDADMO
COc1ccc(C(=O)NCC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1OC	ZINC000026065008	1073929382	/nfs/dbraw/zinc/92/93/82/1073929382.db2.gz	PPGIKKIOFBYKGB-KRWDZBQOSA-N	1	1	407.511	1.297	20	0		HDADMO
C[C@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@@H]1OCCc2sccc21	ZINC000429176606	1073951550	/nfs/dbraw/zinc/95/15/50/1073951550.db2.gz	YDTZOQYFIPLFDO-SGTLLEGYSA-N	1	1	419.532	1.919	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000509183040	1073959753	/nfs/dbraw/zinc/95/97/53/1073959753.db2.gz	JJSWDTCQMMVNKN-MRXNPFEDSA-N	1	1	414.506	1.157	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)ncn1	ZINC000673980608	1073972799	/nfs/dbraw/zinc/97/27/99/1073972799.db2.gz	SNGKQFIFFBFMGX-IBGZPJMESA-N	1	1	415.586	1.476	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)ncn1	ZINC000673980608	1073972801	/nfs/dbraw/zinc/97/28/01/1073972801.db2.gz	SNGKQFIFFBFMGX-IBGZPJMESA-N	1	1	415.586	1.476	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	ZINC000466573876	1073979865	/nfs/dbraw/zinc/97/98/65/1073979865.db2.gz	OJPIJPSNNSSZTL-JTDSTZFVSA-N	1	1	403.527	1.509	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	ZINC000466573876	1073979868	/nfs/dbraw/zinc/97/98/68/1073979868.db2.gz	OJPIJPSNNSSZTL-JTDSTZFVSA-N	1	1	403.527	1.509	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1	ZINC000509189617	1074004821	/nfs/dbraw/zinc/00/48/21/1074004821.db2.gz	GELCKTJITVXPDU-KDOFPFPSSA-N	1	1	415.581	1.478	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1	ZINC000543530953	1074023283	/nfs/dbraw/zinc/02/32/83/1074023283.db2.gz	XIDMCBWQFQISMO-AWEZNQCLSA-N	1	1	400.483	1.065	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)c1ccsc1	ZINC000543532769	1074031442	/nfs/dbraw/zinc/03/14/42/1074031442.db2.gz	BRGYWNUIBSCZHG-KRWDZBQOSA-N	1	1	415.519	1.631	20	0		HDADMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1	ZINC000543535676	1074039031	/nfs/dbraw/zinc/03/90/31/1074039031.db2.gz	ALIGAEXXHLFSMN-ROUUACIJSA-N	1	1	417.554	1.916	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC000509193882	1074040043	/nfs/dbraw/zinc/04/00/43/1074040043.db2.gz	FSWPHXCUJFYUBU-SJLPKXTDSA-N	1	1	403.589	1.638	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC[N@@H+]1CCO	ZINC000429192226	1074041567	/nfs/dbraw/zinc/04/15/67/1074041567.db2.gz	GRAXJUNPYCPGAN-MRXNPFEDSA-N	1	1	410.478	1.075	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC[N@H+]1CCO	ZINC000429192226	1074041578	/nfs/dbraw/zinc/04/15/78/1074041578.db2.gz	GRAXJUNPYCPGAN-MRXNPFEDSA-N	1	1	410.478	1.075	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3c(C)nn(C)c3C)CC2)CC1	ZINC000466590149	1074045768	/nfs/dbraw/zinc/04/57/68/1074045768.db2.gz	YTMRPTSZRKNQEA-UHFFFAOYSA-N	1	1	404.559	1.513	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CCO1	ZINC001649123437	1074048158	/nfs/dbraw/zinc/04/81/58/1074048158.db2.gz	VZUYMLNBAMUBDT-AJSBUHFISA-N	1	1	416.518	1.706	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1	ZINC000466594054	1074049174	/nfs/dbraw/zinc/04/91/74/1074049174.db2.gz	WPNLUMKVDHYFCM-RBUKOAKNSA-N	1	1	402.543	1.078	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC000466594054	1074049186	/nfs/dbraw/zinc/04/91/86/1074049186.db2.gz	WPNLUMKVDHYFCM-RBUKOAKNSA-N	1	1	402.543	1.078	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC000466594054	1074049190	/nfs/dbraw/zinc/04/91/90/1074049190.db2.gz	WPNLUMKVDHYFCM-RBUKOAKNSA-N	1	1	402.543	1.078	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O	ZINC000466595524	1074049546	/nfs/dbraw/zinc/04/95/46/1074049546.db2.gz	IKLHDTQNGXXQML-KZNAEPCWSA-N	1	1	402.543	1.326	20	0		HDADMO
O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000429196406	1074051887	/nfs/dbraw/zinc/05/18/87/1074051887.db2.gz	GHFVNIPEMLVYBW-PZJWPPBQSA-N	1	1	424.549	1.628	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@@H](C)c2noc(Cc3ccccc3)n2)C1	ZINC000543544916	1074060231	/nfs/dbraw/zinc/06/02/31/1074060231.db2.gz	LVVWPOQWVZGUGA-PKOBYXMFSA-N	1	1	415.538	1.784	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1	ZINC000058882871	1074072492	/nfs/dbraw/zinc/07/24/92/1074072492.db2.gz	SHANGQDWEUVOOG-JKIFEVAISA-N	1	1	411.506	1.897	20	0		HDADMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000543553806	1074088165	/nfs/dbraw/zinc/08/81/65/1074088165.db2.gz	IOSOBPMGQBQLHJ-SFHVURJKSA-N	1	1	415.538	1.777	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC(C)(C)S(C)(=O)=O)cc2)CC1	ZINC000674022433	1074088593	/nfs/dbraw/zinc/08/85/93/1074088593.db2.gz	BAEQOUQWXOKMEJ-UHFFFAOYSA-N	1	1	410.540	1.409	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C[C@H]1C	ZINC000543556576	1074096122	/nfs/dbraw/zinc/09/61/22/1074096122.db2.gz	FSQAXMPAKAKGFZ-HZPDHXFCSA-N	1	1	416.522	1.492	20	0		HDADMO
CC(C)(CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)S(C)(=O)=O	ZINC000674029544	1074096799	/nfs/dbraw/zinc/09/67/99/1074096799.db2.gz	KGEWVLOWDQBILP-QGZVFWFLSA-N	1	1	424.567	1.006	20	0		HDADMO
Nc1ccccc1S(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000670457534	1074100066	/nfs/dbraw/zinc/10/00/66/1074100066.db2.gz	JACOYMLUQFUELZ-KRWDZBQOSA-N	1	1	402.520	1.328	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C)[nH]c3=O)C2)cc(OC)c1	ZINC000543560245	1074105192	/nfs/dbraw/zinc/10/51/92/1074105192.db2.gz	ZMBKQABJSYTSBO-OAHLLOKOSA-N	1	1	414.462	1.442	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C)[nH]c3=O)C2)cc(OC)c1	ZINC000543560245	1074105197	/nfs/dbraw/zinc/10/51/97/1074105197.db2.gz	ZMBKQABJSYTSBO-OAHLLOKOSA-N	1	1	414.462	1.442	20	0		HDADMO
Cn1c2[nH]c(C[N@H+](C)[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)nc2c(=O)n(C)c1=O	ZINC000543559739	1074107829	/nfs/dbraw/zinc/10/78/29/1074107829.db2.gz	VMTCICDEJRFDCP-LSDHHAIUSA-N	1	1	401.442	1.452	20	0		HDADMO
Cn1c2[nH]c(C[N@@H+](C)[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)nc2c(=O)n(C)c1=O	ZINC000543559739	1074107834	/nfs/dbraw/zinc/10/78/34/1074107834.db2.gz	VMTCICDEJRFDCP-LSDHHAIUSA-N	1	1	401.442	1.452	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)Cc1ccc(F)cc1	ZINC000674041955	1074124230	/nfs/dbraw/zinc/12/42/30/1074124230.db2.gz	JRBGNLVXVOEFIO-UHFFFAOYSA-N	1	1	400.410	1.343	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F	ZINC000429207803	1074124747	/nfs/dbraw/zinc/12/47/47/1074124747.db2.gz	YXADBAIGWSOQSU-HUUCEWRRSA-N	1	1	416.448	1.086	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]1[C@H](O)C(F)(F)F	ZINC000429207802	1074124780	/nfs/dbraw/zinc/12/47/80/1074124780.db2.gz	YXADBAIGWSOQSU-GJZGRUSLSA-N	1	1	416.448	1.086	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2	ZINC000466617843	1074126819	/nfs/dbraw/zinc/12/68/19/1074126819.db2.gz	JUXYQRYRQMGFOO-QXAKKESOSA-N	1	1	412.538	1.949	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](CC(N)=O)C3CCOCC3)cc2)C[C@@H](C)O1	ZINC000466623522	1074139249	/nfs/dbraw/zinc/13/92/49/1074139249.db2.gz	RXFCRLOJRMVBBN-JXXFODFXSA-N	1	1	403.523	1.696	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC2(CCOCC2)[C@H]1C	ZINC000543575156	1074146609	/nfs/dbraw/zinc/14/66/09/1074146609.db2.gz	YBMGDFOBNFYTJP-ARFHVFGLSA-N	1	1	409.552	1.791	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1	ZINC000509218782	1074170125	/nfs/dbraw/zinc/17/01/25/1074170125.db2.gz	PWJCOJJLSMMSLB-WMLDXEAASA-N	1	1	403.570	1.478	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1	ZINC000509218782	1074170131	/nfs/dbraw/zinc/17/01/31/1074170131.db2.gz	PWJCOJJLSMMSLB-WMLDXEAASA-N	1	1	403.570	1.478	20	0		HDADMO
C[C@@H](Sc1nc(CC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cs1)C(N)=O	ZINC001128613441	1074184501	/nfs/dbraw/zinc/18/45/01/1074184501.db2.gz	CGLYBQTUSKFFBT-QWHCGFSZSA-N	1	1	412.581	1.363	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC000674135778	1074193218	/nfs/dbraw/zinc/19/32/18/1074193218.db2.gz	FJIOZMGCCKJLPT-UZLBHIALSA-N	1	1	417.531	1.740	20	0		HDADMO
CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nnc2n1CCCCC2	ZINC000674158201	1074195657	/nfs/dbraw/zinc/19/56/57/1074195657.db2.gz	KPSAUEGRXAYPJT-SJLPKXTDSA-N	1	1	403.575	1.923	20	0		HDADMO
CC[C@@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2	ZINC000674158201	1074195660	/nfs/dbraw/zinc/19/56/60/1074195660.db2.gz	KPSAUEGRXAYPJT-SJLPKXTDSA-N	1	1	403.575	1.923	20	0		HDADMO
CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000674192349	1074206644	/nfs/dbraw/zinc/20/66/44/1074206644.db2.gz	ANRVMEZBXVFOII-QGZVFWFLSA-N	1	1	408.524	1.377	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCc3ccc4c(c3)OCO4)CC2)CC1	ZINC000670468859	1074212831	/nfs/dbraw/zinc/21/28/31/1074212831.db2.gz	RPTUWKNULJSQGX-UHFFFAOYSA-N	1	1	416.522	1.049	20	0		HDADMO
O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000674200616	1074231241	/nfs/dbraw/zinc/23/12/41/1074231241.db2.gz	ZGLIUJYJRSKRGG-UHFFFAOYSA-N	1	1	415.416	1.406	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccncc1	ZINC000674229218	1074235866	/nfs/dbraw/zinc/23/58/66/1074235866.db2.gz	UUMKXDFTBXDJFV-KRWDZBQOSA-N	1	1	423.517	1.257	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000674267248	1074248449	/nfs/dbraw/zinc/24/84/49/1074248449.db2.gz	SGNVQIFJAMHSAS-OAHLLOKOSA-N	1	1	419.576	1.908	20	0		HDADMO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000674269490	1074250113	/nfs/dbraw/zinc/25/01/13/1074250113.db2.gz	ICTSTMGDTHXCCI-INIZCTEOSA-N	1	1	402.495	1.326	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000674270814	1074251058	/nfs/dbraw/zinc/25/10/58/1074251058.db2.gz	JBNTWGYBICZXFX-SJORKVTESA-N	1	1	414.531	1.741	20	0		HDADMO
COCCCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1	ZINC000674319134	1074279865	/nfs/dbraw/zinc/27/98/65/1074279865.db2.gz	QGNORDQPIMAIRN-HXUWFJFHSA-N	1	1	419.522	1.754	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)C1	ZINC000674321195	1074281818	/nfs/dbraw/zinc/28/18/18/1074281818.db2.gz	WEFRBEUCTVBEPO-KRWDZBQOSA-N	1	1	411.506	1.882	20	0		HDADMO
COc1ccc(S(=O)(=O)NCC[NH+]2CCC(OC)CC2)cc1Br	ZINC000674333795	1074287173	/nfs/dbraw/zinc/28/71/73/1074287173.db2.gz	KHRXMOWHUNHTHV-UHFFFAOYSA-N	1	1	407.330	1.847	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)C3Cc4ccccc4C3)CC2)CC1	ZINC000674342686	1074287960	/nfs/dbraw/zinc/28/79/60/1074287960.db2.gz	OAPAKURUYPQKEA-UHFFFAOYSA-N	1	1	419.591	1.750	20	0		HDADMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000674364069	1074294130	/nfs/dbraw/zinc/29/41/30/1074294130.db2.gz	JXVOXDVERJOYSN-QGTPRVQTSA-N	1	1	407.536	1.641	20	0		HDADMO
Cn1cc(Br)cc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c1=O	ZINC000674384680	1074306907	/nfs/dbraw/zinc/30/69/07/1074306907.db2.gz	ISNBBIPBCUNWDL-UHFFFAOYSA-N	1	1	400.321	1.295	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN1CCCS1(=O)=O	ZINC000674438360	1074334800	/nfs/dbraw/zinc/33/48/00/1074334800.db2.gz	BLQYOKJNVLBLOZ-PKOBYXMFSA-N	1	1	408.568	1.574	20	0		HDADMO
C[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1	ZINC000674432029	1074342660	/nfs/dbraw/zinc/34/26/60/1074342660.db2.gz	GEQWKDKXGNHVPG-CEQIKUNHSA-N	1	1	401.511	1.527	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccc(OC)c(F)c3)CCN2C1=O	ZINC000674470321	1074368036	/nfs/dbraw/zinc/36/80/36/1074368036.db2.gz	TVALJLBWDWQTRN-XJKSGUPXSA-N	1	1	406.458	1.150	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)Cc3ccc(OC)c(F)c3)CCN2C1=O	ZINC000674470321	1074368046	/nfs/dbraw/zinc/36/80/46/1074368046.db2.gz	TVALJLBWDWQTRN-XJKSGUPXSA-N	1	1	406.458	1.150	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@@H+](CCO)Cc2ccc(Br)s2)C[C@H](C)O1	ZINC000485131378	1074392150	/nfs/dbraw/zinc/39/21/50/1074392150.db2.gz	JDXOORJKWACBKF-HZSPNIEDSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H](O)CN(CCO)Cc2ccc(Br)s2)C[C@H](C)O1	ZINC000485131378	1074392166	/nfs/dbraw/zinc/39/21/66/1074392166.db2.gz	JDXOORJKWACBKF-HZSPNIEDSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN(CCO)Cc2ccc(Br)s2)C[C@H](C)O1	ZINC000485131378	1074392176	/nfs/dbraw/zinc/39/21/76/1074392176.db2.gz	JDXOORJKWACBKF-HZSPNIEDSA-N	1	1	407.374	1.775	20	0		HDADMO
CCN(C(=O)C[N@H+]1CCC[C@H]1COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000674500192	1074392775	/nfs/dbraw/zinc/39/27/75/1074392775.db2.gz	QZDLWEZYGOWJPZ-INIZCTEOSA-N	1	1	415.494	1.043	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)CCN2C1=O	ZINC000674501284	1074394540	/nfs/dbraw/zinc/39/45/40/1074394540.db2.gz	JMYXODKFPMKFPS-AWEZNQCLSA-N	1	1	420.466	1.009	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCOC[C@H](C2CCC2)C1	ZINC000429231007	1074415036	/nfs/dbraw/zinc/41/50/36/1074415036.db2.gz	YWXBKTITDULNGC-CRAIPNDOSA-N	1	1	409.552	1.130	20	0		HDADMO
CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC001273134449	1074418893	/nfs/dbraw/zinc/41/88/93/1074418893.db2.gz	RGKULZKDZZULCN-NVXWUHKLSA-N	1	1	421.485	1.885	20	0		HDADMO
C[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674516732	1074418993	/nfs/dbraw/zinc/41/89/93/1074418993.db2.gz	VNQKWAKGRJCWGY-HKUYNNGSSA-N	1	1	422.595	1.279	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC(CS(C)(=O)=O)CC3)CC2)c1	ZINC000429232607	1074419011	/nfs/dbraw/zinc/41/90/11/1074419011.db2.gz	UJAANOXPFNYCQD-UHFFFAOYSA-N	1	1	407.580	1.396	20	0		HDADMO
C[C@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674516737	1074419278	/nfs/dbraw/zinc/41/92/78/1074419278.db2.gz	VNQKWAKGRJCWGY-PKOBYXMFSA-N	1	1	422.595	1.279	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)C2(CO)CCC2)c1	ZINC000429232279	1074422710	/nfs/dbraw/zinc/42/27/10/1074422710.db2.gz	ATYPUQWUCZRMAR-UHFFFAOYSA-N	1	1	403.932	1.766	20	0		HDADMO
C[C@@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674551558	1074435005	/nfs/dbraw/zinc/43/50/05/1074435005.db2.gz	BOFPQNFBMKRTOH-QGZVFWFLSA-N	1	1	410.584	1.184	20	0		HDADMO
C[C@@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674551558	1074435009	/nfs/dbraw/zinc/43/50/09/1074435009.db2.gz	BOFPQNFBMKRTOH-QGZVFWFLSA-N	1	1	410.584	1.184	20	0		HDADMO
C[C@@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674551558	1074435013	/nfs/dbraw/zinc/43/50/13/1074435013.db2.gz	BOFPQNFBMKRTOH-QGZVFWFLSA-N	1	1	410.584	1.184	20	0		HDADMO
C[C@H](c1ccc(NC(=O)N(C)CCN2CCCS2(=O)=O)cc1)[NH+]1CCOCC1	ZINC000674568310	1074443969	/nfs/dbraw/zinc/44/39/69/1074443969.db2.gz	ZNKVCOKANZSVBY-MRXNPFEDSA-N	1	1	410.540	1.579	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O	ZINC000674583188	1074448527	/nfs/dbraw/zinc/44/85/27/1074448527.db2.gz	JPLKPXQSAWFEET-HOIFWPIMSA-N	1	1	416.497	1.874	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O	ZINC000674582317	1074460741	/nfs/dbraw/zinc/46/07/41/1074460741.db2.gz	VAJNSKDKEDRAOJ-WJPUGNRLSA-N	1	1	402.470	1.627	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O	ZINC000674582317	1074460742	/nfs/dbraw/zinc/46/07/42/1074460742.db2.gz	VAJNSKDKEDRAOJ-WJPUGNRLSA-N	1	1	402.470	1.627	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1=O	ZINC000674606647	1074476897	/nfs/dbraw/zinc/47/68/97/1074476897.db2.gz	KCGGDFQINWCDGQ-ZJBJCVSYSA-N	1	1	414.506	1.021	20	0		HDADMO
CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1	ZINC000674623878	1074483379	/nfs/dbraw/zinc/48/33/79/1074483379.db2.gz	NNXHQDYUQUSNSS-LAUBAEHRSA-N	1	1	401.511	1.658	20	0		HDADMO
O=C(NCc1c(F)c(F)cc(F)c1F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674631057	1074495118	/nfs/dbraw/zinc/49/51/18/1074495118.db2.gz	LBWMAYQFJYRPBE-GFCCVEGCSA-N	1	1	404.408	1.449	20	0		HDADMO
CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(C)c1	ZINC000674632117	1074495934	/nfs/dbraw/zinc/49/59/34/1074495934.db2.gz	ZJCWTVIBRNOZQE-VQTJNVASSA-N	1	1	404.555	1.858	20	0		HDADMO
CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(C)c1	ZINC000674632118	1074496156	/nfs/dbraw/zinc/49/61/56/1074496156.db2.gz	ZJCWTVIBRNOZQE-WOJBJXKFSA-N	1	1	404.555	1.858	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(=O)N1CCOCC1	ZINC000674647830	1074496588	/nfs/dbraw/zinc/49/65/88/1074496588.db2.gz	YHUCSBAJAHKNAC-HXUWFJFHSA-N	1	1	402.539	1.850	20	0		HDADMO
CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1	ZINC001033905256	1074498900	/nfs/dbraw/zinc/49/89/00/1074498900.db2.gz	YCGROCFVSWSEBB-FWCYYJLNSA-N	1	1	402.543	1.317	20	0		HDADMO
Cc1cccc(NC(=O)CN(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1C	ZINC000674700097	1074528184	/nfs/dbraw/zinc/52/81/84/1074528184.db2.gz	SHGWDONVGLFKCZ-LJQANCHMSA-N	1	1	417.554	1.290	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CO)CC1	ZINC000674714335	1074532950	/nfs/dbraw/zinc/53/29/50/1074532950.db2.gz	SNLCXTIHCOFQLI-IBGZPJMESA-N	1	1	402.539	1.233	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCCO)[C@H]1CCc2ccccc21	ZINC000674724990	1074541206	/nfs/dbraw/zinc/54/12/06/1074541206.db2.gz	PYZCCIRGMRDFDL-UNMCSNQZSA-N	1	1	416.566	1.474	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1	ZINC000674761231	1074554500	/nfs/dbraw/zinc/55/45/00/1074554500.db2.gz	AYBXNAUHDJNBPA-YOEHRIQHSA-N	1	1	405.524	1.965	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc2)CCO1	ZINC000766068459	1074561415	/nfs/dbraw/zinc/56/14/15/1074561415.db2.gz	CBMQPLLTSKGBEI-YLJYHZDGSA-N	1	1	415.538	1.682	20	0		HDADMO
C[C@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc2)CCO1	ZINC000766068438	1074561516	/nfs/dbraw/zinc/56/15/16/1074561516.db2.gz	CBMQPLLTSKGBEI-FXAWDEMLSA-N	1	1	415.538	1.682	20	0		HDADMO
C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000674800615	1074574205	/nfs/dbraw/zinc/57/42/05/1074574205.db2.gz	KYIWWFMPYMPXKJ-FUHWJXTLSA-N	1	1	411.543	1.474	20	0		HDADMO
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000674808869	1074575251	/nfs/dbraw/zinc/57/52/51/1074575251.db2.gz	KYIYUBAQZQOOBX-DLBZAZTESA-N	1	1	419.551	1.210	20	0		HDADMO
CN(c1ncc(I)cn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000766076430	1074583594	/nfs/dbraw/zinc/58/35/94/1074583594.db2.gz	HKLGBINTHTYSDD-CQSZACIVSA-N	1	1	401.296	1.686	20	0		HDADMO
CN(c1ncc(I)cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000766076430	1074583599	/nfs/dbraw/zinc/58/35/99/1074583599.db2.gz	HKLGBINTHTYSDD-CQSZACIVSA-N	1	1	401.296	1.686	20	0		HDADMO
CCCCOc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000674830711	1074587301	/nfs/dbraw/zinc/58/73/01/1074587301.db2.gz	SSGFVIYKRJCDAM-KDOFPFPSSA-N	1	1	411.930	1.970	20	0		HDADMO
CCCCOc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000674830711	1074587308	/nfs/dbraw/zinc/58/73/08/1074587308.db2.gz	SSGFVIYKRJCDAM-KDOFPFPSSA-N	1	1	411.930	1.970	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1	ZINC000674872440	1074593086	/nfs/dbraw/zinc/59/30/86/1074593086.db2.gz	OWFWBALDOQRQLG-QGZVFWFLSA-N	1	1	411.554	1.970	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1	ZINC000674872440	1074593098	/nfs/dbraw/zinc/59/30/98/1074593098.db2.gz	OWFWBALDOQRQLG-QGZVFWFLSA-N	1	1	411.554	1.970	20	0		HDADMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC001128872224	1074605524	/nfs/dbraw/zinc/60/55/24/1074605524.db2.gz	KTGYCEXUPGTBHT-INIZCTEOSA-N	1	1	413.515	1.403	20	0		HDADMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1	ZINC001128873018	1074606175	/nfs/dbraw/zinc/60/61/75/1074606175.db2.gz	XYGZTKGAUXKFBY-KRWDZBQOSA-N	1	1	412.556	1.635	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@@H](c2ccccc2)C1	ZINC000674916362	1074614034	/nfs/dbraw/zinc/61/40/34/1074614034.db2.gz	BWRQYYDVNPGMMO-VSKRKVRLSA-N	1	1	416.566	1.955	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@@H](c2ccccc2)C1	ZINC000674916362	1074614041	/nfs/dbraw/zinc/61/40/41/1074614041.db2.gz	BWRQYYDVNPGMMO-VSKRKVRLSA-N	1	1	416.566	1.955	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@@H](c2ccccc2)C1	ZINC000674916362	1074614046	/nfs/dbraw/zinc/61/40/46/1074614046.db2.gz	BWRQYYDVNPGMMO-VSKRKVRLSA-N	1	1	416.566	1.955	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1	ZINC000674917453	1074614745	/nfs/dbraw/zinc/61/47/45/1074614745.db2.gz	JTQZAWZDSLLPTD-FCHUYYIVSA-N	1	1	416.566	1.914	20	0		HDADMO
C[C@H](CNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)[NH+]1CCN(c2ccccc2)CC1	ZINC000674917006	1074627306	/nfs/dbraw/zinc/62/73/06/1074627306.db2.gz	SYYKAPPOLRZEMG-NRSPTQNISA-N	1	1	402.539	1.787	20	0		HDADMO
COCC[NH+]1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1	ZINC000142457008	1074651662	/nfs/dbraw/zinc/65/16/62/1074651662.db2.gz	LBHSQIUSTLCGFU-UHFFFAOYSA-N	1	1	400.928	1.873	20	0		HDADMO
CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F	ZINC001128904964	1074653287	/nfs/dbraw/zinc/65/32/87/1074653287.db2.gz	UPURLBOFMLOJGD-CHWSQXEVSA-N	1	1	415.865	1.881	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429310858	1074666963	/nfs/dbraw/zinc/66/69/63/1074666963.db2.gz	XUTXPKYMQCKWDJ-IAGOWNOFSA-N	1	1	402.543	1.291	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000429308949	1074668499	/nfs/dbraw/zinc/66/84/99/1074668499.db2.gz	MDEWUKNKJZLXSM-JENIJYKNSA-N	1	1	418.538	1.606	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)Cn2cc(C3CC3)nn2)CC1	ZINC001128930290	1074692683	/nfs/dbraw/zinc/69/26/83/1074692683.db2.gz	FSBQUUJBZYHZPO-UHFFFAOYSA-N	1	1	420.315	1.704	20	0		HDADMO
COC(=O)c1cc(Br)cc(-n2cnc(C[NH3+])n2)c1NC(=O)C(F)(F)F	ZINC001168754529	1074695700	/nfs/dbraw/zinc/69/57/00/1074695700.db2.gz	PXTDHCBNPDLHMM-UHFFFAOYSA-N	1	1	422.161	1.776	20	0		HDADMO
C[C@H](CNC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)C[NH+]1CCOCC1	ZINC000429315280	1074700801	/nfs/dbraw/zinc/70/08/01/1074700801.db2.gz	JBQOGGGMGVTKIU-QUCCMNQESA-N	1	1	402.539	1.488	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)CCN2C1=O	ZINC000675105509	1074721060	/nfs/dbraw/zinc/72/10/60/1074721060.db2.gz	OWDCDMSNNHYAJS-HLLBOEOZSA-N	1	1	419.551	1.809	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CCN2C1=O	ZINC000675108613	1074723460	/nfs/dbraw/zinc/72/34/60/1074723460.db2.gz	BQAHGTRYTTXRRF-KSSFIOAISA-N	1	1	410.478	1.920	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000467923671	1074724657	/nfs/dbraw/zinc/72/46/57/1074724657.db2.gz	YSSQSJTYBODXAV-HNNXBMFYSA-N	1	1	403.508	2.287	20	0		HDADMO
Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1N1CCOC1=O	ZINC000766091801	1074726595	/nfs/dbraw/zinc/72/65/95/1074726595.db2.gz	PFRWRGJJEBMLNL-QGZVFWFLSA-N	1	1	415.494	1.722	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)nn1-c1ccc(F)cc1F	ZINC000560152153	1074727084	/nfs/dbraw/zinc/72/70/84/1074727084.db2.gz	RWLLLVNQEPOSQD-HXUWFJFHSA-N	1	1	403.433	1.952	20	0		HDADMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC[C@H]1CSCCS1	ZINC000785480379	1074732697	/nfs/dbraw/zinc/73/26/97/1074732697.db2.gz	BLDGEQKWCLRSSV-KRWDZBQOSA-N	1	1	409.577	1.100	20	0		HDADMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC[C@@H]1CSCCS1	ZINC000785480381	1074732845	/nfs/dbraw/zinc/73/28/45/1074732845.db2.gz	BLDGEQKWCLRSSV-QGZVFWFLSA-N	1	1	409.577	1.100	20	0		HDADMO
CC(C)(C)Oc1cccc(CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1	ZINC000675155387	1074747379	/nfs/dbraw/zinc/74/73/79/1074747379.db2.gz	OSIDCCJNGJAPHR-IBGZPJMESA-N	1	1	404.555	1.714	20	0		HDADMO
CN(Cc1cc(Br)cn1C)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	ZINC000675175701	1074749399	/nfs/dbraw/zinc/74/93/99/1074749399.db2.gz	NQBDLLCBDZBEQW-UHFFFAOYSA-N	1	1	400.365	1.955	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1	ZINC000670495123	1074749936	/nfs/dbraw/zinc/74/99/36/1074749936.db2.gz	YBAYCBPPCICAPM-UHFFFAOYSA-N	1	1	416.349	1.957	20	0		HDADMO
Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2=O)cc1	ZINC000675189509	1074752551	/nfs/dbraw/zinc/75/25/51/1074752551.db2.gz	KGCLUGKPMRCFNJ-UFYCRDLUSA-N	1	1	412.534	1.155	20	0		HDADMO
C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl	ZINC000766096820	1074753902	/nfs/dbraw/zinc/75/39/02/1074753902.db2.gz	IFSJRTVCNLDYDM-RBSFLKMASA-N	1	1	414.959	1.735	20	0		HDADMO
O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000670496936	1074756647	/nfs/dbraw/zinc/75/66/47/1074756647.db2.gz	NOFMWHZSQHMERO-AWEZNQCLSA-N	1	1	414.333	1.833	20	0		HDADMO
COc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)cn1	ZINC000429244406	1074757399	/nfs/dbraw/zinc/75/73/99/1074757399.db2.gz	GDNCHBUEZWUIOO-UHFFFAOYSA-N	1	1	404.536	1.889	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)C1	ZINC000675209567	1074758480	/nfs/dbraw/zinc/75/84/80/1074758480.db2.gz	GAZMFLNIYOHVJY-IBGZPJMESA-N	1	1	410.522	1.108	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1	ZINC000670497154	1074764052	/nfs/dbraw/zinc/76/40/52/1074764052.db2.gz	ZHHLSSLRHGUXKY-UHFFFAOYSA-N	1	1	415.365	1.796	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@@H]21	ZINC000766098460	1074764861	/nfs/dbraw/zinc/76/48/61/1074764861.db2.gz	QZTICIXHHQPZLW-PBHICJAKSA-N	1	1	403.504	1.550	20	0		HDADMO
CCC(=O)N1CC[C@@H](Nc2cc(N[C@@H]3CCN(C(=O)CC)C3)c3ccncc3[nH+]2)C1	ZINC000550386149	1074770935	/nfs/dbraw/zinc/77/09/35/1074770935.db2.gz	CFGYJPYCHHHUEH-HZPDHXFCSA-N	1	1	410.522	2.475	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nn1-c1ccc(F)cc1F	ZINC000573244515	1074771559	/nfs/dbraw/zinc/77/15/59/1074771559.db2.gz	JFLYTMDYRAXHAM-NVXWUHKLSA-N	1	1	403.433	2.140	20	0		HDADMO
O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(CNc2ccncn2)c1	ZINC000582984332	1074780043	/nfs/dbraw/zinc/78/00/43/1074780043.db2.gz	KQOHRHFQKISYIS-JOCHJYFZSA-N	1	1	417.513	2.238	20	0		HDADMO
Cc1cc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)nn1-c1ccccc1	ZINC000463971306	1074790990	/nfs/dbraw/zinc/79/09/90/1074790990.db2.gz	ORWJJOBTLMHLJT-FQEVSTJZSA-N	1	1	419.485	2.325	20	0		HDADMO
C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000675300501	1074792246	/nfs/dbraw/zinc/79/22/46/1074792246.db2.gz	AVSISUXRBUBQOZ-MJGOQNOKSA-N	1	1	418.538	1.962	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675304897	1074793355	/nfs/dbraw/zinc/79/33/55/1074793355.db2.gz	HTKZTVGXKVUBFI-FUHWJXTLSA-N	1	1	420.941	1.942	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1	ZINC000429331731	1074796316	/nfs/dbraw/zinc/79/63/16/1074796316.db2.gz	LCZUPLCSOIRIMM-NRFANRHFSA-N	1	1	407.478	1.763	20	0		HDADMO
C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](c2ccsc2)O1	ZINC000675309204	1074796560	/nfs/dbraw/zinc/79/65/60/1074796560.db2.gz	IKIJMOZHFWKHCL-NZSAHSFTSA-N	1	1	408.568	1.626	20	0		HDADMO
COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1	ZINC000509322739	1074799242	/nfs/dbraw/zinc/79/92/42/1074799242.db2.gz	MVUWECDHLXIAON-SFHVURJKSA-N	1	1	405.476	1.379	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[C@@H]21	ZINC000766106012	1074811816	/nfs/dbraw/zinc/81/18/16/1074811816.db2.gz	APJLYLJFSQOOAO-ZJUUUORDSA-N	1	1	422.370	1.714	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[C@@H]21	ZINC000766106009	1074811983	/nfs/dbraw/zinc/81/19/83/1074811983.db2.gz	APJLYLJFSQOOAO-UWVGGRQHSA-N	1	1	422.370	1.714	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@@H]21	ZINC000766109891	1074814336	/nfs/dbraw/zinc/81/43/36/1074814336.db2.gz	QPSWFAUIMJLONV-WFASDCNBSA-N	1	1	405.300	1.981	20	0		HDADMO
Cc1cc(NC(=O)C2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)no1	ZINC000522256760	1074815024	/nfs/dbraw/zinc/81/50/24/1074815024.db2.gz	HPMAWKLWMMTOBC-QFIPXVFZSA-N	1	1	412.490	1.797	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@H]21	ZINC000766109889	1074816915	/nfs/dbraw/zinc/81/69/15/1074816915.db2.gz	QPSWFAUIMJLONV-SWLSCSKDSA-N	1	1	405.300	1.981	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC[C@@H]21	ZINC000766111581	1074818102	/nfs/dbraw/zinc/81/81/02/1074818102.db2.gz	XTQDYRSUZNWYJL-BZSNNMDCSA-N	1	1	402.495	1.100	20	0		HDADMO
COCCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2S1(=O)=O	ZINC000766110957	1074819274	/nfs/dbraw/zinc/81/92/74/1074819274.db2.gz	VUMXQDDTRKANFA-RDJZCZTQSA-N	1	1	421.519	1.034	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC[C@@H]21	ZINC000766114335	1074821114	/nfs/dbraw/zinc/82/11/14/1074821114.db2.gz	SLVHBECDDFHEAJ-WFASDCNBSA-N	1	1	413.490	1.962	20	0		HDADMO
Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1	ZINC000509243099	1074821846	/nfs/dbraw/zinc/82/18/46/1074821846.db2.gz	IPTHCOOKSRVWPX-OYRHEFFESA-N	1	1	414.594	1.979	20	0		HDADMO
C[C@@H](C[C@H]1CCOC1)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000675367501	1074822206	/nfs/dbraw/zinc/82/22/06/1074822206.db2.gz	ORDWLDMHQXUQNO-ZWKOTPCHSA-N	1	1	417.554	1.833	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CC[N@@H+]1CCO	ZINC000429333810	1075099860	/nfs/dbraw/zinc/09/98/60/1075099860.db2.gz	LNBGLILBEANINN-LBPRGKRZSA-N	1	1	405.890	1.723	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CC[N@H+]1CCO	ZINC000429333810	1075099867	/nfs/dbraw/zinc/09/98/67/1075099867.db2.gz	LNBGLILBEANINN-LBPRGKRZSA-N	1	1	405.890	1.723	20	0		HDADMO
C[C@@H](CNC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)CN1CC[NH+](C)CC1	ZINC000429334981	1075107276	/nfs/dbraw/zinc/10/72/76/1075107276.db2.gz	UULNIUGTMOSMOK-PZJWPPBQSA-N	1	1	415.582	1.403	20	0		HDADMO
C[C@H](CNC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)CN1CC[NH+](C)CC1	ZINC000429334976	1075107290	/nfs/dbraw/zinc/10/72/90/1075107290.db2.gz	UULNIUGTMOSMOK-CTNGQTDRSA-N	1	1	415.582	1.403	20	0		HDADMO
CC[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000429345347	1075145169	/nfs/dbraw/zinc/14/51/69/1075145169.db2.gz	CNBNTELRQQOLCY-UWJYYQICSA-N	1	1	402.495	1.114	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1	ZINC000429346330	1075150904	/nfs/dbraw/zinc/15/09/04/1075150904.db2.gz	BWVUAEGPDCXHQH-QGZVFWFLSA-N	1	1	400.527	1.553	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC[C@H](OC(F)F)C1	ZINC000670527111	1075150995	/nfs/dbraw/zinc/15/09/95/1075150995.db2.gz	YRTSRPWIIYYJFF-HNNXBMFYSA-N	1	1	403.470	1.368	20	0		HDADMO
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)C1	ZINC000429253611	1075151144	/nfs/dbraw/zinc/15/11/44/1075151144.db2.gz	BRYUHAIPJUMQAT-IRXDYDNUSA-N	1	1	424.567	1.638	20	0		HDADMO
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)C1	ZINC000429253611	1075151149	/nfs/dbraw/zinc/15/11/49/1075151149.db2.gz	BRYUHAIPJUMQAT-IRXDYDNUSA-N	1	1	424.567	1.638	20	0		HDADMO
C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)CC[C@H]2CCCO2)CC1	ZINC000675456402	1075155450	/nfs/dbraw/zinc/15/54/50/1075155450.db2.gz	MYBNVOBBZHTEIN-UYAOXDASSA-N	1	1	421.563	1.481	20	0		HDADMO
Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(Cl)cc1F	ZINC000675458379	1075156208	/nfs/dbraw/zinc/15/62/08/1075156208.db2.gz	IOESLWHHWAVIIC-HNNXBMFYSA-N	1	1	403.907	1.890	20	0		HDADMO
Cc1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(Cl)cc1F	ZINC000675458379	1075156213	/nfs/dbraw/zinc/15/62/13/1075156213.db2.gz	IOESLWHHWAVIIC-HNNXBMFYSA-N	1	1	403.907	1.890	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1-n1cnnn1	ZINC000466679334	1075158981	/nfs/dbraw/zinc/15/89/81/1075158981.db2.gz	BDJUEURVADNWCF-APWZRJJASA-N	1	1	419.489	1.688	20	0		HDADMO
O=S(=O)(c1ccc(OCC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1)N1CCOCC1	ZINC000429254316	1075163689	/nfs/dbraw/zinc/16/36/89/1075163689.db2.gz	KEHMDHWYPKGFMT-LJQANCHMSA-N	1	1	424.563	1.835	20	0		HDADMO
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21	ZINC000675469020	1075163987	/nfs/dbraw/zinc/16/39/87/1075163987.db2.gz	AUJPYWQWLNDOME-HNNXBMFYSA-N	1	1	424.544	1.916	20	0		HDADMO
CCCc1cc(=O)n2nc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)sc2n1	ZINC000553653955	1075164590	/nfs/dbraw/zinc/16/45/90/1075164590.db2.gz	MUQYTKMVNLMAEY-GOOCMWNKSA-N	1	1	404.540	1.599	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C[N@H+]1Cc1ccccc1	ZINC000466681209	1075169071	/nfs/dbraw/zinc/16/90/71/1075169071.db2.gz	NKMOLSVPNWLZKT-RDJZCZTQSA-N	1	1	405.462	1.380	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1	ZINC000766143498	1075169646	/nfs/dbraw/zinc/16/96/46/1075169646.db2.gz	DTVHRJYGGKLZFA-MRXNPFEDSA-N	1	1	421.452	1.002	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1	ZINC000675479639	1075170680	/nfs/dbraw/zinc/17/06/80/1075170680.db2.gz	BXCHQNCBNDPYCH-UHFFFAOYSA-N	1	1	408.568	1.153	20	0		HDADMO
CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccn1	ZINC000766148390	1075175019	/nfs/dbraw/zinc/17/50/19/1075175019.db2.gz	NRLFXJXHCBKVBB-ROUUACIJSA-N	1	1	404.511	1.778	20	0		HDADMO
CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)C1	ZINC000675531430	1075192244	/nfs/dbraw/zinc/19/22/44/1075192244.db2.gz	BLRWBSHIXCEKLU-GOSISDBHSA-N	1	1	416.526	1.390	20	0		HDADMO
O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000533003349	1075193875	/nfs/dbraw/zinc/19/38/75/1075193875.db2.gz	WXRBLTYPEUMVPX-UYAOXDASSA-N	1	1	422.533	1.935	20	0		HDADMO
C[C@H](c1ccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1)[NH+]1CCOCC1	ZINC000675539323	1075195653	/nfs/dbraw/zinc/19/56/53/1075195653.db2.gz	GTQBIIHQLPGUHV-QGZVFWFLSA-N	1	1	403.527	1.318	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C[N@H+]1Cc1ccccc1	ZINC000466685243	1075201146	/nfs/dbraw/zinc/20/11/46/1075201146.db2.gz	ZRAUNMFRIMKJSN-UKRRQHHQSA-N	1	1	401.536	2.553	20	0		HDADMO
Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000675562561	1075203717	/nfs/dbraw/zinc/20/37/17/1075203717.db2.gz	LCCAMPBPSCNSKO-FQEVSTJZSA-N	1	1	404.530	1.420	20	0		HDADMO
Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675562561	1075203718	/nfs/dbraw/zinc/20/37/18/1075203718.db2.gz	LCCAMPBPSCNSKO-FQEVSTJZSA-N	1	1	404.530	1.420	20	0		HDADMO
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(OC)nn1)c1ccccc1Cl	ZINC000551712402	1075210331	/nfs/dbraw/zinc/21/03/31/1075210331.db2.gz	LLQMWSZSOWRBJQ-OAHLLOKOSA-N	1	1	405.886	2.276	20	0		HDADMO
O=C(Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1)c1cccn2c(=O)[nH]nc12	ZINC000509352508	1075217286	/nfs/dbraw/zinc/21/72/86/1075217286.db2.gz	ZDEFQWZCIYTJLI-UHFFFAOYSA-N	1	1	407.434	1.438	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)C1CCOCC1	ZINC000675568282	1075217838	/nfs/dbraw/zinc/21/78/38/1075217838.db2.gz	ONZQHQFTXLJKPE-QGZVFWFLSA-N	1	1	417.554	1.833	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466688212	1075221363	/nfs/dbraw/zinc/22/13/63/1075221363.db2.gz	FLRXQDYBMMJCIT-CRAIPNDOSA-N	1	1	410.474	1.268	20	0		HDADMO
CCOc1ccccc1C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675605084	1075221820	/nfs/dbraw/zinc/22/18/20/1075221820.db2.gz	IFPIGGRSKVNOEX-GOSISDBHSA-N	1	1	402.539	1.442	20	0		HDADMO
CCOc1ccccc1C(=O)NCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675605084	1075221827	/nfs/dbraw/zinc/22/18/27/1075221827.db2.gz	IFPIGGRSKVNOEX-GOSISDBHSA-N	1	1	402.539	1.442	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(C)n(C3CCCCC3)n2)CC1	ZINC000517060879	1075231820	/nfs/dbraw/zinc/23/18/20/1075231820.db2.gz	SYNDDAVPYPLQSA-UHFFFAOYSA-N	1	1	404.559	1.779	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)CC2)oc1C	ZINC000675593945	1075232186	/nfs/dbraw/zinc/23/21/86/1075232186.db2.gz	ZEYCTMJOMXBQII-UHFFFAOYSA-N	1	1	414.510	1.865	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1	ZINC000675595553	1075233597	/nfs/dbraw/zinc/23/35/97/1075233597.db2.gz	VLFJRDQWBIEVAI-JZXOWHBKSA-N	1	1	405.543	1.873	20	0		HDADMO
O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000675598444	1075235253	/nfs/dbraw/zinc/23/52/53/1075235253.db2.gz	UYBLSBRZEDUXFH-AZUAARDMSA-N	1	1	411.506	1.231	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[C@H](CS(C)(=O)=O)C3)CC2)cc1	ZINC000429364991	1075236959	/nfs/dbraw/zinc/23/69/59/1075236959.db2.gz	NULPUFLSOORUEM-IBGZPJMESA-N	1	1	423.579	1.096	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)C3CCOCC3)cc2)CC1	ZINC000675602095	1075240017	/nfs/dbraw/zinc/24/00/17/1075240017.db2.gz	IXUPDAMRZGVDHI-MRXNPFEDSA-N	1	1	416.522	1.334	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@@H](c2ccccc2)C1	ZINC000543640942	1075242531	/nfs/dbraw/zinc/24/25/31/1075242531.db2.gz	CCOHJFBYBSFVBS-LEWJYISDSA-N	1	1	401.555	1.091	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@@H](c2ccccc2)C1	ZINC000543640942	1075242532	/nfs/dbraw/zinc/24/25/32/1075242532.db2.gz	CCOHJFBYBSFVBS-LEWJYISDSA-N	1	1	401.555	1.091	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@@H](c2ccccc2)C1	ZINC000543640942	1075242536	/nfs/dbraw/zinc/24/25/36/1075242536.db2.gz	CCOHJFBYBSFVBS-LEWJYISDSA-N	1	1	401.555	1.091	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N(CCCO)C2CC2)cc1	ZINC000675624854	1075242991	/nfs/dbraw/zinc/24/29/91/1075242991.db2.gz	VJOXHGRGHZTOAY-UHFFFAOYSA-N	1	1	403.527	1.276	20	0		HDADMO
COc1cccc(NC(=O)CN(C)C(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c1	ZINC000429368448	1075245170	/nfs/dbraw/zinc/24/51/70/1075245170.db2.gz	QEJONNKXQQXXDJ-QGZVFWFLSA-N	1	1	402.539	1.898	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000675664449	1075251408	/nfs/dbraw/zinc/25/14/08/1075251408.db2.gz	MSIVWAWHJBMFLH-MOPGFXCFSA-N	1	1	409.552	1.152	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000675666942	1075252238	/nfs/dbraw/zinc/25/22/38/1075252238.db2.gz	UZHJYMKJODDINZ-LJQANCHMSA-N	1	1	402.520	1.661	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000675666942	1075252244	/nfs/dbraw/zinc/25/22/44/1075252244.db2.gz	UZHJYMKJODDINZ-LJQANCHMSA-N	1	1	402.520	1.661	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC1	ZINC000675711134	1075259557	/nfs/dbraw/zinc/25/95/57/1075259557.db2.gz	QDCZLYQIZOTLNA-QGZVFWFLSA-N	1	1	402.605	1.954	20	0		HDADMO
CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3CCS(=O)(=O)CC3)CC2)cc1	ZINC001129049553	1075261645	/nfs/dbraw/zinc/26/16/45/1075261645.db2.gz	JSVSMKIWICNYLQ-UHFFFAOYSA-N	1	1	407.536	1.550	20	0		HDADMO
O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000675719985	1075261879	/nfs/dbraw/zinc/26/18/79/1075261879.db2.gz	KYTCDBAHNVSZJV-UHFFFAOYSA-N	1	1	411.462	1.897	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1	ZINC000675759801	1075266149	/nfs/dbraw/zinc/26/61/49/1075266149.db2.gz	JGRXYDWDYXWSBQ-IBGZPJMESA-N	1	1	418.519	1.410	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1NC(C)=O	ZINC000675761541	1075266468	/nfs/dbraw/zinc/26/64/68/1075266468.db2.gz	WIANUMZKQQNDRU-UHFFFAOYSA-N	1	1	404.492	1.868	20	0		HDADMO
O=C1CCC[C@@H](CNc2cc(NC[C@@H]3CCCC(=O)N3)[nH+]c(-c3ccccc3)n2)N1	ZINC000553562992	1075269157	/nfs/dbraw/zinc/26/91/57/1075269157.db2.gz	BMLMTXNPEKSRER-IRXDYDNUSA-N	1	1	408.506	2.305	20	0		HDADMO
Cc1ccc(-c2nc(SCC(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)n[nH]2)cc1	ZINC000675784781	1075271134	/nfs/dbraw/zinc/27/11/34/1075271134.db2.gz	BAYAQKJJPYYZJV-DLBZAZTESA-N	1	1	401.536	1.930	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(CCNS(C)(=O)=O)cc3)CC2)c1	ZINC000675805224	1075273936	/nfs/dbraw/zinc/27/39/36/1075273936.db2.gz	RIHHMWIRHMRGCK-UHFFFAOYSA-N	1	1	402.520	1.444	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC(C)(C)[C@@H]3C(C)C)n2)c1C	ZINC000556602165	1075278036	/nfs/dbraw/zinc/27/80/36/1075278036.db2.gz	RZNWSQHRRGNDDS-KRWDZBQOSA-N	1	1	414.510	2.178	20	0		HDADMO
CC[C@@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC[N@H+]1C[C@H](C)O	ZINC000543651521	1075284553	/nfs/dbraw/zinc/28/45/53/1075284553.db2.gz	IPVDKTYZGDNRJA-JKSUJKDBSA-N	1	1	404.511	1.531	20	0		HDADMO
O=S(=O)(c1cccs1)N1CC[C@@H](CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1	ZINC000584130771	1075286141	/nfs/dbraw/zinc/28/61/41/1075286141.db2.gz	OICUVSLOOFITAW-LSDHHAIUSA-N	1	1	423.564	2.252	20	0		HDADMO
Cc1c([C@@H](C)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1	ZINC000675885463	1075289083	/nfs/dbraw/zinc/28/90/83/1075289083.db2.gz	BDKADIQWHHMCGU-VQIMIIECSA-N	1	1	402.518	1.772	20	0		HDADMO
Cc1c([C@@H](C)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1	ZINC000675885463	1075289086	/nfs/dbraw/zinc/28/90/86/1075289086.db2.gz	BDKADIQWHHMCGU-VQIMIIECSA-N	1	1	402.518	1.772	20	0		HDADMO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1c(Cl)cccc1Cl	ZINC000479118649	1075301315	/nfs/dbraw/zinc/30/13/15/1075301315.db2.gz	MBHYAJCGYKKNMZ-ZDUSSCGKSA-N	1	1	416.349	1.956	20	0		HDADMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1c(Cl)cccc1Cl	ZINC000479118649	1075301317	/nfs/dbraw/zinc/30/13/17/1075301317.db2.gz	MBHYAJCGYKKNMZ-ZDUSSCGKSA-N	1	1	416.349	1.956	20	0		HDADMO
CCOC(=O)c1ccc(N2CC(NC(=O)NCCCNc3ccc(C)c[nH+]3)C2)nc1	ZINC000547467126	1075302122	/nfs/dbraw/zinc/30/21/22/1075302122.db2.gz	ITIIYVUGTBZYPM-UHFFFAOYSA-N	1	1	412.494	1.952	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)[nH+]c1	ZINC000503414597	1075304401	/nfs/dbraw/zinc/30/44/01/1075304401.db2.gz	FUQQGPRVHHTWPF-UHFFFAOYSA-N	1	1	405.524	1.942	20	0		HDADMO
Cc1noc(C[C@H](NC(=O)N(C)CCC[NH+]2CCN(C)CC2)c2ccccc2)n1	ZINC000429386301	1075304977	/nfs/dbraw/zinc/30/49/77/1075304977.db2.gz	JHKVRUNOWGXQMO-IBGZPJMESA-N	1	1	400.527	1.941	20	0		HDADMO
CCOc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)nc2nc(C(F)(F)F)nn21	ZINC000675948795	1075305083	/nfs/dbraw/zinc/30/50/83/1075305083.db2.gz	INSMNXJMUMZTCS-AWEZNQCLSA-N	1	1	414.432	1.838	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)nc(C)[nH+]1	ZINC000731295558	1075305574	/nfs/dbraw/zinc/30/55/74/1075305574.db2.gz	ITJXQBZSQPRNER-MRXNPFEDSA-N	1	1	417.491	1.103	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CN3C(=O)NC4(CCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731295211	1075305599	/nfs/dbraw/zinc/30/55/99/1075305599.db2.gz	QVSDYQXUSKEXEE-HNNXBMFYSA-N	1	1	401.467	1.470	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CN(C)S(=O)(=O)c3cccnc3)C2)nc(C)[nH+]1	ZINC000731295453	1075306304	/nfs/dbraw/zinc/30/63/04/1075306304.db2.gz	VBNNEKIINAMZOT-INIZCTEOSA-N	1	1	419.507	1.321	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@@H](C)O	ZINC000479139459	1075309119	/nfs/dbraw/zinc/30/91/19/1075309119.db2.gz	AMNCLHXYSOSDOS-ZIAGYGMSSA-N	1	1	416.349	1.956	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@H+]1C[C@@H](C)O	ZINC000479139459	1075309124	/nfs/dbraw/zinc/30/91/24/1075309124.db2.gz	AMNCLHXYSOSDOS-ZIAGYGMSSA-N	1	1	416.349	1.956	20	0		HDADMO
COc1ccccc1C(C)(C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000675967801	1075311474	/nfs/dbraw/zinc/31/14/74/1075311474.db2.gz	IPPBDEUUFXNYFL-SFHVURJKSA-N	1	1	402.539	1.921	20	0		HDADMO
CCCCN(C(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000675973632	1075316533	/nfs/dbraw/zinc/31/65/33/1075316533.db2.gz	YHPKSEAFKAHEKT-KRWDZBQOSA-N	1	1	409.552	1.809	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](CC)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C	ZINC000804221037	1075316738	/nfs/dbraw/zinc/31/67/38/1075316738.db2.gz	GSCBJJDVZUKNHS-NVXWUHKLSA-N	1	1	410.559	1.739	20	0		HDADMO
Cc1ccc(NC(=O)C[NH+]2CCC(n3cccn3)CC2)cc1S(=O)(=O)N(C)C	ZINC000731354724	1075318055	/nfs/dbraw/zinc/31/80/55/1075318055.db2.gz	SUMJGEINOLKGPY-UHFFFAOYSA-N	1	1	405.524	1.717	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NCCCNc2ccc(C)c[nH+]2)cc1	ZINC000465536380	1075327312	/nfs/dbraw/zinc/32/73/12/1075327312.db2.gz	BOYLRVADZFRKMV-UHFFFAOYSA-N	1	1	419.551	2.120	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)nn2)[NH+]2CCCC2)o1	ZINC000551417172	1075330564	/nfs/dbraw/zinc/33/05/64/1075330564.db2.gz	UIOOOIIUCOWAIC-OAHLLOKOSA-N	1	1	401.467	2.057	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cn1	ZINC000731406929	1075332051	/nfs/dbraw/zinc/33/20/51/1075332051.db2.gz	NPXGVVVOXZNKOQ-UHFFFAOYSA-N	1	1	419.445	1.574	20	0		HDADMO
COc1cc(OC)nc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)n1	ZINC000561127680	1075336625	/nfs/dbraw/zinc/33/66/25/1075336625.db2.gz	VMPBOGLQGOTCRW-UHFFFAOYSA-N	1	1	401.467	1.767	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1cccs1	ZINC000804076150	1075337742	/nfs/dbraw/zinc/33/77/42/1075337742.db2.gz	CLHGTXSHAIRYKA-MAUKXSAKSA-N	1	1	402.520	1.837	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1cccs1	ZINC000804076151	1075337949	/nfs/dbraw/zinc/33/79/49/1075337949.db2.gz	CLHGTXSHAIRYKA-QAPCUYQASA-N	1	1	402.520	1.837	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000543653696	1075338705	/nfs/dbraw/zinc/33/87/05/1075338705.db2.gz	VRAXSWTXJPVVJY-INIZCTEOSA-N	1	1	403.527	1.227	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	ZINC000804084069	1075351435	/nfs/dbraw/zinc/35/14/35/1075351435.db2.gz	LHHPZCASJFQIBE-GOSISDBHSA-N	1	1	411.930	1.306	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C(=O)OC)C1	ZINC000509381777	1075352124	/nfs/dbraw/zinc/35/21/24/1075352124.db2.gz	ZGWSTUDWJVBDBV-RTBURBONSA-N	1	1	417.506	1.001	20	0		HDADMO
CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Cl)cc1	ZINC000676096877	1075358300	/nfs/dbraw/zinc/35/83/00/1075358300.db2.gz	GAUIZPZILGCLEM-QGZVFWFLSA-N	1	1	406.918	1.456	20	0		HDADMO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@@H](C)C1	ZINC000676096447	1075359170	/nfs/dbraw/zinc/35/91/70/1075359170.db2.gz	LMSOHIHRGAMUJO-LPHOPBHVSA-N	1	1	414.510	1.459	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@@H](C)C1	ZINC000676096447	1075359175	/nfs/dbraw/zinc/35/91/75/1075359175.db2.gz	LMSOHIHRGAMUJO-LPHOPBHVSA-N	1	1	414.510	1.459	20	0		HDADMO
Cc1c(C(=O)N2CCC(C3OCCO3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731474439	1075361284	/nfs/dbraw/zinc/36/12/84/1075361284.db2.gz	UJRIJIWVADGDKA-UHFFFAOYSA-N	1	1	411.506	1.789	20	0		HDADMO
COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC2)cc1	ZINC000565392913	1075373353	/nfs/dbraw/zinc/37/33/53/1075373353.db2.gz	NVPRSRZUAMDHIG-UHFFFAOYSA-N	1	1	411.506	1.979	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC2)cc1	ZINC000565392913	1075373360	/nfs/dbraw/zinc/37/33/60/1075373360.db2.gz	NVPRSRZUAMDHIG-UHFFFAOYSA-N	1	1	411.506	1.979	20	0		HDADMO
COc1ccc(CN2CC[C@@H](NC(=O)NCCCNc3ccc(C)c[nH+]3)C2=O)cc1	ZINC000548116790	1075373905	/nfs/dbraw/zinc/37/39/05/1075373905.db2.gz	XKIOPNMWKRLOKL-LJQANCHMSA-N	1	1	411.506	2.301	20	0		HDADMO
CCOc1ccccc1NC(=O)CC[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1	ZINC000484994384	1075382271	/nfs/dbraw/zinc/38/22/71/1075382271.db2.gz	GDPHOEWWACCMLK-UHFFFAOYSA-N	1	1	415.494	1.967	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000434557253	1075426479	/nfs/dbraw/zinc/42/64/79/1075426479.db2.gz	OKHZBJUYTKQYNV-OAHLLOKOSA-N	1	1	400.458	1.786	20	0		HDADMO
CCCc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1	ZINC000731655476	1075438648	/nfs/dbraw/zinc/43/86/48/1075438648.db2.gz	ODNWCTNZJSHOIZ-SFHVURJKSA-N	1	1	414.550	1.661	20	0		HDADMO
C[C@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676243204	1075445331	/nfs/dbraw/zinc/44/53/31/1075445331.db2.gz	FJLHUUMUKYYUON-LPHOPBHVSA-N	1	1	424.567	1.106	20	0		HDADMO
C[C@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676243204	1075445335	/nfs/dbraw/zinc/44/53/35/1075445335.db2.gz	FJLHUUMUKYYUON-LPHOPBHVSA-N	1	1	424.567	1.106	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676246622	1075447443	/nfs/dbraw/zinc/44/74/43/1075447443.db2.gz	XPERNTWPGTZSHF-DUVNUKRYSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676246622	1075447448	/nfs/dbraw/zinc/44/74/48/1075447448.db2.gz	XPERNTWPGTZSHF-DUVNUKRYSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@@H](NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CN(C)CCO1	ZINC000676246423	1075447816	/nfs/dbraw/zinc/44/78/16/1075447816.db2.gz	HPRWIZFBNIBULJ-VQIMIIECSA-N	1	1	409.962	1.480	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676247993	1075447851	/nfs/dbraw/zinc/44/78/51/1075447851.db2.gz	KCUAEMLDQYENRE-KXBFYZLASA-N	1	1	406.502	1.583	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676247993	1075447855	/nfs/dbraw/zinc/44/78/55/1075447855.db2.gz	KCUAEMLDQYENRE-KXBFYZLASA-N	1	1	406.502	1.583	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676247991	1075448042	/nfs/dbraw/zinc/44/80/42/1075448042.db2.gz	KCUAEMLDQYENRE-DNVCBOLYSA-N	1	1	406.502	1.583	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676247991	1075448046	/nfs/dbraw/zinc/44/80/46/1075448046.db2.gz	KCUAEMLDQYENRE-DNVCBOLYSA-N	1	1	406.502	1.583	20	0		HDADMO
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676256774	1075451429	/nfs/dbraw/zinc/45/14/29/1075451429.db2.gz	HQTGXJZKSZJWBW-LPHOPBHVSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676256774	1075451435	/nfs/dbraw/zinc/45/14/35/1075451435.db2.gz	HQTGXJZKSZJWBW-LPHOPBHVSA-N	1	1	409.552	1.239	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1	ZINC000676257778	1075452634	/nfs/dbraw/zinc/45/26/34/1075452634.db2.gz	JTFUUOPBMQBFPA-VUCTXSBTSA-N	1	1	412.328	1.852	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1	ZINC000676257778	1075452635	/nfs/dbraw/zinc/45/26/35/1075452635.db2.gz	JTFUUOPBMQBFPA-VUCTXSBTSA-N	1	1	412.328	1.852	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@H]1C[N@H+](C)CCO1	ZINC000676257371	1075453342	/nfs/dbraw/zinc/45/33/42/1075453342.db2.gz	SICNUJPAFZAGKX-MGPUTAFESA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676257371	1075453345	/nfs/dbraw/zinc/45/33/45/1075453345.db2.gz	SICNUJPAFZAGKX-MGPUTAFESA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676259109	1075454276	/nfs/dbraw/zinc/45/42/76/1075454276.db2.gz	HNIPEEVVWDGPRI-WBMJQRKESA-N	1	1	423.311	1.384	20	0		HDADMO
C[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259109	1075454278	/nfs/dbraw/zinc/45/42/78/1075454278.db2.gz	HNIPEEVVWDGPRI-WBMJQRKESA-N	1	1	423.311	1.384	20	0		HDADMO
Cc1cc(N2C[C@H](C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2=O)ccc1Br	ZINC000676258789	1075454800	/nfs/dbraw/zinc/45/48/00/1075454800.db2.gz	DNYAJHZNVAQNMA-JJRVBVJISA-N	1	1	424.339	1.946	20	0		HDADMO
Cc1cc(N2C[C@H](C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2=O)ccc1Br	ZINC000676258789	1075454801	/nfs/dbraw/zinc/45/48/01/1075454801.db2.gz	DNYAJHZNVAQNMA-JJRVBVJISA-N	1	1	424.339	1.946	20	0		HDADMO
CC[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1)[N@H+]1CCc2ccccc2C1	ZINC000560168294	1075455701	/nfs/dbraw/zinc/45/57/01/1075455701.db2.gz	QUMFQJFWPTZCMF-SFHVURJKSA-N	1	1	411.506	2.155	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[N@H+](C)CCc2ccccc2F)c(=O)[nH]c1=O	ZINC000731670996	1075455868	/nfs/dbraw/zinc/45/58/68/1075455868.db2.gz	LMAHADUSJDJNCX-UHFFFAOYSA-N	1	1	419.501	1.998	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](C)CCc2ccccc2F)c(=O)[nH]c1=O	ZINC000731670996	1075455875	/nfs/dbraw/zinc/45/58/75/1075455875.db2.gz	LMAHADUSJDJNCX-UHFFFAOYSA-N	1	1	419.501	1.998	20	0		HDADMO
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@H]1C[N@H+](C)CCO1	ZINC000676259707	1075456378	/nfs/dbraw/zinc/45/63/78/1075456378.db2.gz	PDZZDBXBVMTERI-BLLLJJGKSA-N	1	1	406.483	1.912	20	0		HDADMO
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259707	1075456380	/nfs/dbraw/zinc/45/63/80/1075456380.db2.gz	PDZZDBXBVMTERI-BLLLJJGKSA-N	1	1	406.483	1.912	20	0		HDADMO
COc1cc2ncn(CCCC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)c(=O)c2cc1OC	ZINC000676262243	1075460771	/nfs/dbraw/zinc/46/07/71/1075460771.db2.gz	WVWXQKZHWSSGKH-AUUYWEPGSA-N	1	1	418.494	1.029	20	0		HDADMO
COc1cc2ncn(CCCC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c(=O)c2cc1OC	ZINC000676262243	1075460773	/nfs/dbraw/zinc/46/07/73/1075460773.db2.gz	WVWXQKZHWSSGKH-AUUYWEPGSA-N	1	1	418.494	1.029	20	0		HDADMO
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262195	1075460795	/nfs/dbraw/zinc/46/07/95/1075460795.db2.gz	WCHRBECWXUBPLK-PXNSSMCTSA-N	1	1	423.579	1.629	20	0		HDADMO
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262195	1075460798	/nfs/dbraw/zinc/46/07/98/1075460798.db2.gz	WCHRBECWXUBPLK-PXNSSMCTSA-N	1	1	423.579	1.629	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731681148	1075463628	/nfs/dbraw/zinc/46/36/28/1075463628.db2.gz	KZMLRBQLWNJUGB-CALCHBBNSA-N	1	1	402.605	1.163	20	0		HDADMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000731681649	1075464605	/nfs/dbraw/zinc/46/46/05/1075464605.db2.gz	ZHHRAQLPVKPHSL-UHFFFAOYSA-N	1	1	424.611	1.835	20	0		HDADMO
COc1cccc(OC)c1OC1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676249445	1075467250	/nfs/dbraw/zinc/46/72/50/1075467250.db2.gz	AJQCOPNYHUGPFD-HNAYVOBHSA-N	1	1	407.511	1.976	20	0		HDADMO
COc1cccc(OC)c1OC1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676249445	1075467257	/nfs/dbraw/zinc/46/72/57/1075467257.db2.gz	AJQCOPNYHUGPFD-HNAYVOBHSA-N	1	1	407.511	1.976	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676251007	1075467386	/nfs/dbraw/zinc/46/73/86/1075467386.db2.gz	NLPSTASSZLUFMT-MAZHCROVSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251007	1075467389	/nfs/dbraw/zinc/46/73/89/1075467389.db2.gz	NLPSTASSZLUFMT-MAZHCROVSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251907	1075468455	/nfs/dbraw/zinc/46/84/55/1075468455.db2.gz	SFFLRMZYRGWHTM-KUHUBIRLSA-N	1	1	418.494	1.495	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251907	1075468457	/nfs/dbraw/zinc/46/84/57/1075468457.db2.gz	SFFLRMZYRGWHTM-KUHUBIRLSA-N	1	1	418.494	1.495	20	0		HDADMO
COc1cc(OC)cc([C@H](NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c2nccn2C)c1	ZINC000676251429	1075469421	/nfs/dbraw/zinc/46/94/21/1075469421.db2.gz	MKPSJESRONSPIM-ZMYBRWDISA-N	1	1	417.510	1.545	20	0		HDADMO
COc1cc(OC)cc([C@H](NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c2nccn2C)c1	ZINC000676251429	1075469425	/nfs/dbraw/zinc/46/94/25/1075469425.db2.gz	MKPSJESRONSPIM-ZMYBRWDISA-N	1	1	417.510	1.545	20	0		HDADMO
COc1cc(OC)cc([C@H](NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c2nccn2C)c1	ZINC000676251427	1075469505	/nfs/dbraw/zinc/46/95/05/1075469505.db2.gz	MKPSJESRONSPIM-JVPBZIDWSA-N	1	1	417.510	1.545	20	0		HDADMO
COc1cc(OC)cc([C@H](NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c2nccn2C)c1	ZINC000676251427	1075469509	/nfs/dbraw/zinc/46/95/09/1075469509.db2.gz	MKPSJESRONSPIM-JVPBZIDWSA-N	1	1	417.510	1.545	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676253201	1075471312	/nfs/dbraw/zinc/47/13/12/1075471312.db2.gz	ZELHGYDCSLWWKF-UZLBHIALSA-N	1	1	404.511	1.004	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676253201	1075471316	/nfs/dbraw/zinc/47/13/16/1075471316.db2.gz	ZELHGYDCSLWWKF-UZLBHIALSA-N	1	1	404.511	1.004	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676255031	1075472234	/nfs/dbraw/zinc/47/22/34/1075472234.db2.gz	RHQZAJNMIXIBHG-APWZRJJASA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676255031	1075472240	/nfs/dbraw/zinc/47/22/40/1075472240.db2.gz	RHQZAJNMIXIBHG-APWZRJJASA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278173	1075476402	/nfs/dbraw/zinc/47/64/02/1075476402.db2.gz	FLILHPOJEYIEQS-BEFAXECRSA-N	1	1	411.506	1.660	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278173	1075476405	/nfs/dbraw/zinc/47/64/05/1075476405.db2.gz	FLILHPOJEYIEQS-BEFAXECRSA-N	1	1	411.506	1.660	20	0		HDADMO
Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)Nc2nnc(C(C)(C)C)s2)CC1	ZINC000447476538	1075476887	/nfs/dbraw/zinc/47/68/87/1075476887.db2.gz	ZKKCBBIULDLAQF-UHFFFAOYSA-N	1	1	403.508	2.548	20	0		HDADMO
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676278767	1075479871	/nfs/dbraw/zinc/47/98/71/1075479871.db2.gz	JPVZHROQWZOQJR-RDJZCZTQSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278767	1075479874	/nfs/dbraw/zinc/47/98/74/1075479874.db2.gz	JPVZHROQWZOQJR-RDJZCZTQSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676278805	1075479905	/nfs/dbraw/zinc/47/99/05/1075479905.db2.gz	KIIVZLFTWPZHDJ-CRAIPNDOSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676278805	1075479907	/nfs/dbraw/zinc/47/99/07/1075479907.db2.gz	KIIVZLFTWPZHDJ-CRAIPNDOSA-N	1	1	402.495	1.005	20	0		HDADMO
CC[C@@]1(C)CCCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1	ZINC000434928549	1075479973	/nfs/dbraw/zinc/47/99/73/1075479973.db2.gz	XNDIOHAKWNJIBO-NRFANRHFSA-N	1	1	414.510	2.324	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676278498	1075480999	/nfs/dbraw/zinc/48/09/99/1075480999.db2.gz	IVCGQPLLYVVREI-SUMWQHHRSA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278498	1075481000	/nfs/dbraw/zinc/48/10/00/1075481000.db2.gz	IVCGQPLLYVVREI-SUMWQHHRSA-N	1	1	422.913	1.350	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Br	ZINC000676279803	1075482618	/nfs/dbraw/zinc/48/26/18/1075482618.db2.gz	QIJVFOLBMALSAI-HZMBPMFUSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Br	ZINC000676279803	1075482621	/nfs/dbraw/zinc/48/26/21/1075482621.db2.gz	QIJVFOLBMALSAI-HZMBPMFUSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676279640	1075482813	/nfs/dbraw/zinc/48/28/13/1075482813.db2.gz	PPENLSASXPOPTE-DZGCQCFKSA-N	1	1	401.492	1.402	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279640	1075482818	/nfs/dbraw/zinc/48/28/18/1075482818.db2.gz	PPENLSASXPOPTE-DZGCQCFKSA-N	1	1	401.492	1.402	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676279744	1075483428	/nfs/dbraw/zinc/48/34/28/1075483428.db2.gz	PPLLWQCKPBJRSG-BONVTDFDSA-N	1	1	416.400	1.438	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676279744	1075483432	/nfs/dbraw/zinc/48/34/32/1075483432.db2.gz	PPLLWQCKPBJRSG-BONVTDFDSA-N	1	1	416.400	1.438	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(Br)c1	ZINC000676279439	1075484518	/nfs/dbraw/zinc/48/45/18/1075484518.db2.gz	NPDKSCQSDFXCEF-HZMBPMFUSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(Br)c1	ZINC000676279439	1075484519	/nfs/dbraw/zinc/48/45/19/1075484519.db2.gz	NPDKSCQSDFXCEF-HZMBPMFUSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1)[C@H]1C[N@H+](C)CCO1	ZINC000676279486	1075484885	/nfs/dbraw/zinc/48/48/85/1075484885.db2.gz	OJWJXXXOBYUIMG-FRQCXROJSA-N	1	1	405.495	1.408	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279486	1075484897	/nfs/dbraw/zinc/48/48/97/1075484897.db2.gz	OJWJXXXOBYUIMG-FRQCXROJSA-N	1	1	405.495	1.408	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OC1CCOCC1	ZINC000676280849	1075485464	/nfs/dbraw/zinc/48/54/64/1075485464.db2.gz	UDDZOFZNSDMYDJ-HNAYVOBHSA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OC1CCOCC1	ZINC000676280849	1075485469	/nfs/dbraw/zinc/48/54/69/1075485469.db2.gz	UDDZOFZNSDMYDJ-HNAYVOBHSA-N	1	1	405.495	1.327	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281855	1075488385	/nfs/dbraw/zinc/48/83/85/1075488385.db2.gz	XWRGNXZDIDIHHH-DYVFJYSZSA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281855	1075488389	/nfs/dbraw/zinc/48/83/89/1075488389.db2.gz	XWRGNXZDIDIHHH-DYVFJYSZSA-N	1	1	404.492	1.496	20	0		HDADMO
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1)C(C)C	ZINC000676281792	1075488416	/nfs/dbraw/zinc/48/84/16/1075488416.db2.gz	WPJLZMGMEPLGGV-HNAYVOBHSA-N	1	1	404.511	1.217	20	0		HDADMO
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1)C(C)C	ZINC000676281792	1075488420	/nfs/dbraw/zinc/48/84/20/1075488420.db2.gz	WPJLZMGMEPLGGV-HNAYVOBHSA-N	1	1	404.511	1.217	20	0		HDADMO
Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676281568	1075488636	/nfs/dbraw/zinc/48/86/36/1075488636.db2.gz	NVPLBWWWSIWCNF-PBHICJAKSA-N	1	1	415.519	1.710	20	0		HDADMO
Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281568	1075488641	/nfs/dbraw/zinc/48/86/41/1075488641.db2.gz	NVPLBWWWSIWCNF-PBHICJAKSA-N	1	1	415.519	1.710	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OCC(F)(F)F	ZINC000676281585	1075488725	/nfs/dbraw/zinc/48/87/25/1075488725.db2.gz	YTFTYBSFRATHFX-WFASDCNBSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OCC(F)(F)F	ZINC000676281585	1075488728	/nfs/dbraw/zinc/48/87/28/1075488728.db2.gz	YTFTYBSFRATHFX-WFASDCNBSA-N	1	1	403.401	1.710	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676282260	1075489528	/nfs/dbraw/zinc/48/95/28/1075489528.db2.gz	ZTHDGWKNMRJHKB-DNVCBOLYSA-N	1	1	416.522	1.979	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676282260	1075489534	/nfs/dbraw/zinc/48/95/34/1075489534.db2.gz	ZTHDGWKNMRJHKB-DNVCBOLYSA-N	1	1	416.522	1.979	20	0		HDADMO
COc1cccc([C@@H]2[C@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@@H+]2C2CC2)c1	ZINC000569397413	1075494360	/nfs/dbraw/zinc/49/43/60/1075494360.db2.gz	IVYLUCPUKHFMRP-WIYYLYMNSA-N	1	1	423.517	2.339	20	0		HDADMO
COc1cccc([C@@H]2[C@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@H+]2C2CC2)c1	ZINC000569397413	1075494362	/nfs/dbraw/zinc/49/43/62/1075494362.db2.gz	IVYLUCPUKHFMRP-WIYYLYMNSA-N	1	1	423.517	2.339	20	0		HDADMO
O=S(=O)(c1ccccc1Cl)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676303799	1075502279	/nfs/dbraw/zinc/50/22/79/1075502279.db2.gz	FLAFSKRLHJJYNV-UHFFFAOYSA-N	1	1	423.926	1.478	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc(OC)c1	ZINC000676307169	1075503838	/nfs/dbraw/zinc/50/38/38/1075503838.db2.gz	ZBGDSHNYFJEJRR-UZLBHIALSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc(OC)c1	ZINC000676307169	1075503840	/nfs/dbraw/zinc/50/38/40/1075503840.db2.gz	ZBGDSHNYFJEJRR-UZLBHIALSA-N	1	1	406.527	1.250	20	0		HDADMO
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000676316814	1075506446	/nfs/dbraw/zinc/50/64/46/1075506446.db2.gz	BDSLNVRYYSGEFB-IEBWSBKVSA-N	1	1	402.539	1.441	20	0		HDADMO
CC[C@]1(C)CCCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1	ZINC000434928551	1075507364	/nfs/dbraw/zinc/50/73/64/1075507364.db2.gz	XNDIOHAKWNJIBO-OAQYLSRUSA-N	1	1	414.510	2.324	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676334511	1075510465	/nfs/dbraw/zinc/51/04/65/1075510465.db2.gz	XVXXBHZVQQFASK-MAZHCROVSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676334511	1075510472	/nfs/dbraw/zinc/51/04/72/1075510472.db2.gz	XVXXBHZVQQFASK-MAZHCROVSA-N	1	1	410.312	1.637	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c2cccs2)CC1	ZINC000676335281	1075510994	/nfs/dbraw/zinc/51/09/94/1075510994.db2.gz	FHPUMQCQIKIZNQ-HOCLYGCPSA-N	1	1	416.613	1.117	20	0		HDADMO
Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)c1	ZINC000676342229	1075514675	/nfs/dbraw/zinc/51/46/75/1075514675.db2.gz	ZLBWBDWUGRMLTD-QZTJIDSGSA-N	1	1	400.479	1.133	20	0		HDADMO
Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)c1	ZINC000676342227	1075514746	/nfs/dbraw/zinc/51/47/46/1075514746.db2.gz	ZLBWBDWUGRMLTD-MSOLQXFVSA-N	1	1	400.479	1.133	20	0		HDADMO
COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1)[NH+](C)C	ZINC000551401392	1075515457	/nfs/dbraw/zinc/51/54/57/1075515457.db2.gz	CRVQXDRUBWTHCO-OAHLLOKOSA-N	1	1	401.467	1.630	20	0		HDADMO
O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000676342615	1075515864	/nfs/dbraw/zinc/51/58/64/1075515864.db2.gz	RIDDVECCEQFJGC-IAGOWNOFSA-N	1	1	420.897	1.478	20	0		HDADMO
O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000676342622	1075516067	/nfs/dbraw/zinc/51/60/67/1075516067.db2.gz	RIDDVECCEQFJGC-SJORKVTESA-N	1	1	420.897	1.478	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCNc2ccc(C(F)(F)F)cn2)CC1	ZINC000731762116	1075516441	/nfs/dbraw/zinc/51/64/41/1075516441.db2.gz	CXQJPZLZSSUUQX-UHFFFAOYSA-N	1	1	416.448	1.364	20	0		HDADMO
CCOC(=O)N(C)c1ccc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1	ZINC000731761965	1075516694	/nfs/dbraw/zinc/51/66/94/1075516694.db2.gz	QVQBCNPHRYKBND-UHFFFAOYSA-N	1	1	405.499	1.953	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2	ZINC000731763925	1075517884	/nfs/dbraw/zinc/51/78/84/1075517884.db2.gz	FOPJRTVNDWOOJN-AWEZNQCLSA-N	1	1	410.540	1.041	20	0		HDADMO
COc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000429426637	1075518612	/nfs/dbraw/zinc/51/86/12/1075518612.db2.gz	PXBXHXWZNFJSCK-CYBMUJFWSA-N	1	1	419.341	1.801	20	0		HDADMO
CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1	ZINC001006093782	1075518759	/nfs/dbraw/zinc/51/87/59/1075518759.db2.gz	IGEHHHMGHGHQLE-HUMVNOLHSA-N	1	1	402.495	1.061	20	0		HDADMO
CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1	ZINC001006093782	1075518769	/nfs/dbraw/zinc/51/87/69/1075518769.db2.gz	IGEHHHMGHGHQLE-HUMVNOLHSA-N	1	1	402.495	1.061	20	0		HDADMO
COCCCS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1	ZINC000676332176	1075521614	/nfs/dbraw/zinc/52/16/14/1075521614.db2.gz	ZBWLARSIKDEVRG-UHFFFAOYSA-N	1	1	424.567	1.117	20	0		HDADMO
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(OC)c1	ZINC000676332228	1075521698	/nfs/dbraw/zinc/52/16/98/1075521698.db2.gz	JVTSZQXHQZJKNW-LSBZLQRGSA-N	1	1	405.495	1.144	20	0		HDADMO
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(OC)c1	ZINC000676332228	1075521701	/nfs/dbraw/zinc/52/17/01/1075521701.db2.gz	JVTSZQXHQZJKNW-LSBZLQRGSA-N	1	1	405.495	1.144	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676333094	1075522118	/nfs/dbraw/zinc/52/21/18/1075522118.db2.gz	KBSVOZKEFUJKQR-YMTOWFKASA-N	1	1	400.262	1.425	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676333094	1075522122	/nfs/dbraw/zinc/52/21/22/1075522122.db2.gz	KBSVOZKEFUJKQR-YMTOWFKASA-N	1	1	400.262	1.425	20	0		HDADMO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676333180	1075522131	/nfs/dbraw/zinc/52/21/31/1075522131.db2.gz	XXTHMIXCUPNLSJ-QBIMZIAESA-N	1	1	409.914	1.789	20	0		HDADMO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676333180	1075522136	/nfs/dbraw/zinc/52/21/36/1075522136.db2.gz	XXTHMIXCUPNLSJ-QBIMZIAESA-N	1	1	409.914	1.789	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676333090	1075522270	/nfs/dbraw/zinc/52/22/70/1075522270.db2.gz	KBSVOZKEFUJKQR-OTYXRUKQSA-N	1	1	400.262	1.425	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676333090	1075522279	/nfs/dbraw/zinc/52/22/79/1075522279.db2.gz	KBSVOZKEFUJKQR-OTYXRUKQSA-N	1	1	400.262	1.425	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@H]1C[N@H+](C)CCO1	ZINC000676332831	1075522606	/nfs/dbraw/zinc/52/26/06/1075522606.db2.gz	TYLKYPPGRATMHP-IFXJQAMLSA-N	1	1	408.458	1.327	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676332831	1075522613	/nfs/dbraw/zinc/52/26/13/1075522613.db2.gz	TYLKYPPGRATMHP-IFXJQAMLSA-N	1	1	408.458	1.327	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1	ZINC000731827369	1075525402	/nfs/dbraw/zinc/52/54/02/1075525402.db2.gz	XYNJOMNBIGCBND-ZDUSSCGKSA-N	1	1	404.536	1.733	20	0		HDADMO
CC(C)(O)[C@@H]1CCCN1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000543671939	1075527294	/nfs/dbraw/zinc/52/72/94/1075527294.db2.gz	DWVAMOLFWIRALN-MOPGFXCFSA-N	1	1	402.539	1.829	20	0		HDADMO
O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000731809227	1075527492	/nfs/dbraw/zinc/52/74/92/1075527492.db2.gz	RFOFCYSLAGYNDP-KBPBESRZSA-N	1	1	406.533	1.655	20	0		HDADMO
O=C(C[N@@H+](CCO)CCCO)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2	ZINC000731845743	1075529976	/nfs/dbraw/zinc/52/99/76/1075529976.db2.gz	JAQXGFBYUKCFCB-UHFFFAOYSA-N	1	1	415.446	1.283	20	0		HDADMO
O=C(C[N@H+](CCO)CCCO)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2	ZINC000731845743	1075529979	/nfs/dbraw/zinc/52/99/79/1075529979.db2.gz	JAQXGFBYUKCFCB-UHFFFAOYSA-N	1	1	415.446	1.283	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)C1	ZINC000676359547	1075532774	/nfs/dbraw/zinc/53/27/74/1075532774.db2.gz	RFLQRGQJVCYHQB-HOTGVXAUSA-N	1	1	400.479	1.035	20	0		HDADMO
C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1	ZINC000731852316	1075534486	/nfs/dbraw/zinc/53/44/86/1075534486.db2.gz	NRIDFZIYLYTZMY-HIFRSBDPSA-N	1	1	415.943	1.479	20	0		HDADMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000438425270	1075542543	/nfs/dbraw/zinc/54/25/43/1075542543.db2.gz	IZXNHMDQVCVEJR-UHFFFAOYSA-N	1	1	415.885	1.972	20	0		HDADMO
CC(C)C[N@@H+]1CCO[C@H](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804143359	1075542741	/nfs/dbraw/zinc/54/27/41/1075542741.db2.gz	ANTSKUWETSBEAD-JXFKEZNVSA-N	1	1	423.535	1.214	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804143359	1075542743	/nfs/dbraw/zinc/54/27/43/1075542743.db2.gz	ANTSKUWETSBEAD-JXFKEZNVSA-N	1	1	423.535	1.214	20	0		HDADMO
Cc1cc(S(=O)(=O)NCCNC(=O)NCC[NH+]2Cc3ccccc3C2)c(C)s1	ZINC000676418447	1075548933	/nfs/dbraw/zinc/54/89/33/1075548933.db2.gz	CQWNVMLRORBCDU-UHFFFAOYSA-N	1	1	422.576	1.958	20	0		HDADMO
CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1	ZINC000731873023	1075549030	/nfs/dbraw/zinc/54/90/30/1075549030.db2.gz	KIFJVCBBJYDXDV-INIZCTEOSA-N	1	1	418.567	1.385	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1Br	ZINC000731879654	1075550490	/nfs/dbraw/zinc/55/04/90/1075550490.db2.gz	UETIJSPITPOEKI-NSHDSACASA-N	1	1	404.330	1.381	20	0		HDADMO
Cc1c(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)cnn1-c1ccccc1F	ZINC000676453034	1075558545	/nfs/dbraw/zinc/55/85/45/1075558545.db2.gz	GVGPFKKCYOBCRF-UHFFFAOYSA-N	1	1	416.501	1.402	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC2(CO)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676453545	1075558884	/nfs/dbraw/zinc/55/88/84/1075558884.db2.gz	QCBVXEDZLSUSAM-SFHVURJKSA-N	1	1	411.506	1.466	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC(C)(C)CO)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676455017	1075559239	/nfs/dbraw/zinc/55/92/39/1075559239.db2.gz	GTMYERFILZVNQM-GOSISDBHSA-N	1	1	413.522	1.712	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1(OCc2ccccc2)CCOCC1	ZINC000676473962	1075564202	/nfs/dbraw/zinc/56/42/02/1075564202.db2.gz	YNNWLSLLKIBWPF-OAQYLSRUSA-N	1	1	417.550	1.275	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](n2ccnc2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000676478698	1075565898	/nfs/dbraw/zinc/56/58/98/1075565898.db2.gz	OLFABWMCMWTBMD-FQEVSTJZSA-N	1	1	411.506	1.309	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](n2ccnc2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000676478698	1075565903	/nfs/dbraw/zinc/56/59/03/1075565903.db2.gz	OLFABWMCMWTBMD-FQEVSTJZSA-N	1	1	411.506	1.309	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)CCO2	ZINC000676496788	1075569109	/nfs/dbraw/zinc/56/91/09/1075569109.db2.gz	YIYBMQJVWZNBIA-APWZRJJASA-N	1	1	417.506	1.206	20	0		HDADMO
CC(C)OCC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1	ZINC000470231496	1075570161	/nfs/dbraw/zinc/57/01/61/1075570161.db2.gz	RBCYZXHZNJAFRK-UHFFFAOYSA-N	1	1	401.504	1.063	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O	ZINC000676502309	1075570270	/nfs/dbraw/zinc/57/02/70/1075570270.db2.gz	ZCLJRYOVQZXRFE-GAPZROTKSA-N	1	1	403.527	1.365	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)O[C@@H](C)C2	ZINC000676501855	1075570518	/nfs/dbraw/zinc/57/05/18/1075570518.db2.gz	WBMOZMNTYFZXNL-MAUKXSAKSA-N	1	1	402.539	1.986	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)O[C@@H](C)C2	ZINC000676501855	1075570523	/nfs/dbraw/zinc/57/05/23/1075570523.db2.gz	WBMOZMNTYFZXNL-MAUKXSAKSA-N	1	1	402.539	1.986	20	0		HDADMO
O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000676506736	1075572206	/nfs/dbraw/zinc/57/22/06/1075572206.db2.gz	ACBMBORIPROFGT-WBVHZDCISA-N	1	1	423.535	1.389	20	0		HDADMO
COC(=O)c1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1F	ZINC000731966363	1075578392	/nfs/dbraw/zinc/57/83/92/1075578392.db2.gz	MORGQTRYBDLYLZ-QGZVFWFLSA-N	1	1	407.442	1.264	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000676539756	1075580401	/nfs/dbraw/zinc/58/04/01/1075580401.db2.gz	DUIVKLRHVKXMAV-UGSOOPFHSA-N	1	1	410.515	1.631	20	0		HDADMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C[C@H](C)O1	ZINC000676544133	1075581745	/nfs/dbraw/zinc/58/17/45/1075581745.db2.gz	LKSZLJYJDTZKMX-IYBDPMFKSA-N	1	1	414.510	1.269	20	0		HDADMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C[C@H](C)O1	ZINC000676544133	1075581748	/nfs/dbraw/zinc/58/17/48/1075581748.db2.gz	LKSZLJYJDTZKMX-IYBDPMFKSA-N	1	1	414.510	1.269	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)O[C@@H](C)C2	ZINC000676543778	1075581801	/nfs/dbraw/zinc/58/18/01/1075581801.db2.gz	GKWDNGXXQGYOPP-QFBILLFUSA-N	1	1	402.539	1.940	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cccc(-n2cc[nH]c2=O)c1	ZINC000731977849	1075581895	/nfs/dbraw/zinc/58/18/95/1075581895.db2.gz	ZMBWVLPHUBZDBV-GOSISDBHSA-N	1	1	413.478	1.230	20	0		HDADMO
Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)o1	ZINC000676550551	1075583149	/nfs/dbraw/zinc/58/31/49/1075583149.db2.gz	LEWGPPILTCYYBA-QGZVFWFLSA-N	1	1	414.510	1.010	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)CC1	ZINC000486938439	1075591128	/nfs/dbraw/zinc/59/11/28/1075591128.db2.gz	CHDVPBALFSBJCP-AATRIKPKSA-N	1	1	404.496	1.929	20	0		HDADMO
CN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732034691	1075592100	/nfs/dbraw/zinc/59/21/00/1075592100.db2.gz	GGNXYTDBWRLWCN-CQSZACIVSA-N	1	1	406.533	1.607	20	0		HDADMO
CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000732061527	1075598228	/nfs/dbraw/zinc/59/82/28/1075598228.db2.gz	NKXGVZOCAFRICY-ZWKOTPCHSA-N	1	1	405.543	1.127	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000732066597	1075600677	/nfs/dbraw/zinc/60/06/77/1075600677.db2.gz	SNBMUAIOBPTKKO-ONEGZZNKSA-N	1	1	408.506	1.178	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC2(OC)CCOCC2)CC1	ZINC000676565439	1075602877	/nfs/dbraw/zinc/60/28/77/1075602877.db2.gz	PWBAZWPPJAXDGE-UHFFFAOYSA-N	1	1	404.555	1.819	20	0		HDADMO
COC1(CNC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCOCC1	ZINC000676566033	1075603246	/nfs/dbraw/zinc/60/32/46/1075603246.db2.gz	XQFWDDKTRBWILM-UHFFFAOYSA-N	1	1	404.511	1.069	20	0		HDADMO
CCOC(=O)N1CCCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1	ZINC000804176315	1075603625	/nfs/dbraw/zinc/60/36/25/1075603625.db2.gz	KDGYXDLIXYOTMN-KRWDZBQOSA-N	1	1	420.510	1.532	20	0		HDADMO
O=C(Nc1ccc2c(cnn2C(F)F)c1)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000676620364	1075619110	/nfs/dbraw/zinc/61/91/10/1075619110.db2.gz	XINPMJODHGOMNR-UHFFFAOYSA-N	1	1	407.421	1.693	20	0		HDADMO
Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000804182151	1075621080	/nfs/dbraw/zinc/62/10/80/1075621080.db2.gz	OCDXWNNGMBULEH-UHFFFAOYSA-N	1	1	420.510	1.743	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)C2CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000676632548	1075624920	/nfs/dbraw/zinc/62/49/20/1075624920.db2.gz	KXXVKETWAOSFRX-GOSISDBHSA-N	1	1	409.552	1.811	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)C2CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000676632548	1075624923	/nfs/dbraw/zinc/62/49/23/1075624923.db2.gz	KXXVKETWAOSFRX-GOSISDBHSA-N	1	1	409.552	1.811	20	0		HDADMO
CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000676633404	1075625226	/nfs/dbraw/zinc/62/52/26/1075625226.db2.gz	BODDBDGYARZMGT-QWHCGFSZSA-N	1	1	411.351	1.994	20	0		HDADMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429454832	1075630774	/nfs/dbraw/zinc/63/07/74/1075630774.db2.gz	UICWBHVVGADHIU-GOSISDBHSA-N	1	1	401.555	1.849	20	0		HDADMO
Cn1ccnc1[C@@](O)(CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C(F)(F)F	ZINC000732127349	1075630677	/nfs/dbraw/zinc/63/06/77/1075630677.db2.gz	IKAMHQWHYBHGLZ-PBHICJAKSA-N	1	1	404.433	1.273	20	0		HDADMO
O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000732127213	1075630962	/nfs/dbraw/zinc/63/09/62/1075630962.db2.gz	DVLIZJNFOFDEJN-INIZCTEOSA-N	1	1	407.898	1.779	20	0		HDADMO
CCOC(=O)COc1ccc(OCC[NH+]2CCN(c3nc(N)ns3)CC2)cc1	ZINC000610728902	1075633127	/nfs/dbraw/zinc/63/31/27/1075633127.db2.gz	SXFMUDFEGGFPDR-UHFFFAOYSA-N	1	1	407.496	1.263	20	0		HDADMO
C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc4c(cc3OC(F)F)OCO4)[C@H]2C1	ZINC000676669337	1075637692	/nfs/dbraw/zinc/63/76/92/1075637692.db2.gz	SIHBSKFPOIRIQP-AAEUAGOBSA-N	1	1	411.405	1.186	20	0		HDADMO
CN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000732166452	1075644499	/nfs/dbraw/zinc/64/44/99/1075644499.db2.gz	OFDBGTDNXMKWQQ-VIFPVBQESA-N	1	1	408.343	1.467	20	0		HDADMO
CN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732166452	1075644504	/nfs/dbraw/zinc/64/45/04/1075644504.db2.gz	OFDBGTDNXMKWQQ-VIFPVBQESA-N	1	1	408.343	1.467	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1	ZINC000732139322	1075647164	/nfs/dbraw/zinc/64/71/64/1075647164.db2.gz	NGLQTUSQNLIFJU-WFKXUCKUSA-N	1	1	412.534	1.780	20	0		HDADMO
c1nc(N2CCN(C[C@@H]3CCCO3)CC2)cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1	ZINC000676686505	1075647994	/nfs/dbraw/zinc/64/79/94/1075647994.db2.gz	NEOJTLACKVNXKP-PMACEKPBSA-N	1	1	416.570	1.079	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000732149001	1075649412	/nfs/dbraw/zinc/64/94/12/1075649412.db2.gz	ADKOYBRSOASTAG-CYBMUJFWSA-N	1	1	403.552	1.570	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1	ZINC000732150013	1075650349	/nfs/dbraw/zinc/65/03/49/1075650349.db2.gz	UEVMRBSAUMGLKH-AMRJIULGSA-N	1	1	407.478	1.293	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)CC2)cc1	ZINC000429458432	1075651101	/nfs/dbraw/zinc/65/11/01/1075651101.db2.gz	YEFOUGYPGIKFIP-POAQFYNOSA-N	1	1	400.523	1.922	20	0		HDADMO
O=C([C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1)N1CCCC1	ZINC000732191961	1075655847	/nfs/dbraw/zinc/65/58/47/1075655847.db2.gz	VJSNMDCPOUGLQB-OAHLLOKOSA-N	1	1	418.519	1.373	20	0		HDADMO
O=C([C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1)N1CCCC1	ZINC000732191961	1075655851	/nfs/dbraw/zinc/65/58/51/1075655851.db2.gz	VJSNMDCPOUGLQB-OAHLLOKOSA-N	1	1	418.519	1.373	20	0		HDADMO
Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676723295	1075660037	/nfs/dbraw/zinc/66/00/37/1075660037.db2.gz	COOFNIICZFFEAP-RTBURBONSA-N	1	1	424.549	1.896	20	0		HDADMO
COc1cccc(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000676724751	1075660722	/nfs/dbraw/zinc/66/07/22/1075660722.db2.gz	DQKBEWUCEOVWOG-LJQANCHMSA-N	1	1	404.555	1.679	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000732210704	1075667253	/nfs/dbraw/zinc/66/72/53/1075667253.db2.gz	DZCMXMOJWIIRDU-IBGZPJMESA-N	1	1	404.511	1.668	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)c1	ZINC000543682762	1075667880	/nfs/dbraw/zinc/66/78/80/1075667880.db2.gz	XACPDIPDFPKXQJ-KRWDZBQOSA-N	1	1	413.540	1.020	20	0		HDADMO
COc1ccc(CCNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1OC	ZINC000732211580	1075668038	/nfs/dbraw/zinc/66/80/38/1075668038.db2.gz	WMPPLGDZCOGLIE-SFHVURJKSA-N	1	1	403.523	1.839	20	0		HDADMO
COc1ccc(CCNC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1OC	ZINC000732211580	1075668043	/nfs/dbraw/zinc/66/80/43/1075668043.db2.gz	WMPPLGDZCOGLIE-SFHVURJKSA-N	1	1	403.523	1.839	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)CC1	ZINC000732213117	1075669292	/nfs/dbraw/zinc/66/92/92/1075669292.db2.gz	QQJVDZFUXAUPAN-HXUWFJFHSA-N	1	1	420.598	1.864	20	0		HDADMO
C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000732213137	1075669601	/nfs/dbraw/zinc/66/96/01/1075669601.db2.gz	YANRBEONWHDFFA-XLIONFOSSA-N	1	1	400.523	1.937	20	0		HDADMO
C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000732213137	1075669605	/nfs/dbraw/zinc/66/96/05/1075669605.db2.gz	YANRBEONWHDFFA-XLIONFOSSA-N	1	1	400.523	1.937	20	0		HDADMO
Cc1n[nH]cc1S(=O)(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000732219973	1075672924	/nfs/dbraw/zinc/67/29/24/1075672924.db2.gz	QNFGOOQEQZZDSK-UHFFFAOYSA-N	1	1	408.524	1.686	20	0		HDADMO
COc1ccc(C(=O)NCCN2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)cc1	ZINC000732203858	1075675294	/nfs/dbraw/zinc/67/52/94/1075675294.db2.gz	KGUYFRMCASCDJG-OAQYLSRUSA-N	1	1	401.482	1.915	20	0		HDADMO
O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000732246354	1075679435	/nfs/dbraw/zinc/67/94/35/1075679435.db2.gz	RDTOAUQJBJWXQA-HOTGVXAUSA-N	1	1	400.479	1.225	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1	ZINC000732254086	1075680520	/nfs/dbraw/zinc/68/05/20/1075680520.db2.gz	SINCTXXKOZVIPP-RHSMWYFYSA-N	1	1	411.344	1.778	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1	ZINC000732252983	1075680603	/nfs/dbraw/zinc/68/06/03/1075680603.db2.gz	CCKJRUXEGHDVLW-UHFFFAOYSA-N	1	1	417.601	1.156	20	0		HDADMO
COc1cccc([C@@H](O)CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000732234687	1075685528	/nfs/dbraw/zinc/68/55/28/1075685528.db2.gz	VDOHOQYOEXPQJC-PMACEKPBSA-N	1	1	412.490	2.000	20	0		HDADMO
COc1cccc([C@@H](O)CNC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000732234687	1075685530	/nfs/dbraw/zinc/68/55/30/1075685530.db2.gz	VDOHOQYOEXPQJC-PMACEKPBSA-N	1	1	412.490	2.000	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)cn1	ZINC000732274375	1075686516	/nfs/dbraw/zinc/68/65/16/1075686516.db2.gz	HEEZLLBDUDIGFD-UHFFFAOYSA-N	1	1	401.430	1.790	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C	ZINC000732274449	1075686585	/nfs/dbraw/zinc/68/65/85/1075686585.db2.gz	ODFRDUIADPLNEM-KRWDZBQOSA-N	1	1	406.527	1.625	20	0		HDADMO
CCc1nc(N)nc(S[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)n1	ZINC000502098930	1075689585	/nfs/dbraw/zinc/68/95/85/1075689585.db2.gz	QHVSYGFISZZEHN-CQSZACIVSA-N	1	1	416.551	1.645	20	0		HDADMO
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1	ZINC000532731200	1075689912	/nfs/dbraw/zinc/68/99/12/1075689912.db2.gz	JFISRGIHRYZGIM-HNNXBMFYSA-N	1	1	420.525	1.359	20	0		HDADMO
CCOc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cn1	ZINC000509250418	1075692920	/nfs/dbraw/zinc/69/29/20/1075692920.db2.gz	VCJFKXLZAHSNIQ-MRXNPFEDSA-N	1	1	418.519	1.978	20	0		HDADMO
COc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1	ZINC001084996164	1075695347	/nfs/dbraw/zinc/69/53/47/1075695347.db2.gz	UCQAXDGAAIOYJF-RQBDKXJUSA-N	1	1	401.507	1.565	20	0		HDADMO
CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)c1ccccc1	ZINC001084992764	1075697883	/nfs/dbraw/zinc/69/78/83/1075697883.db2.gz	RTHRLSKHTCENDP-WTCHQRSMSA-N	1	1	409.530	1.996	20	0		HDADMO
CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)c1ccccc1	ZINC001084992764	1075697885	/nfs/dbraw/zinc/69/78/85/1075697885.db2.gz	RTHRLSKHTCENDP-WTCHQRSMSA-N	1	1	409.530	1.996	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4nc(N)ns4)CC3)cc2)C[C@@H](C)O1	ZINC000441527229	1075699648	/nfs/dbraw/zinc/69/96/48/1075699648.db2.gz	TYKZLFLIWWSHFY-HUUCEWRRSA-N	1	1	416.551	1.692	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)CC1	ZINC000732291936	1075700616	/nfs/dbraw/zinc/70/06/16/1075700616.db2.gz	IPTCGLMBKVOIKM-UHFFFAOYSA-N	1	1	405.524	1.423	20	0		HDADMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)Nc3cc4ccccn4n3)CC2)C[C@@H](C)O1	ZINC000554437325	1075702399	/nfs/dbraw/zinc/70/23/99/1075702399.db2.gz	DCCJMLDZHWFVAZ-IAGOWNOFSA-N	1	1	401.511	2.456	20	0		HDADMO
COc1cc2[nH+]c(NCc3ccncc3OC[C@@H]3CCOC3)nc(N)c2cc1OC	ZINC000565855263	1075702990	/nfs/dbraw/zinc/70/29/90/1075702990.db2.gz	SEHBWPIUAGSEJF-CYBMUJFWSA-N	1	1	411.462	2.074	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1	ZINC000545907559	1075704732	/nfs/dbraw/zinc/70/47/32/1075704732.db2.gz	DSIRUBNVHQKFPY-NQIIRXRSSA-N	1	1	417.513	2.507	20	0		HDADMO
COc1cc2[nH+]c(N3CCS(=O)(=O)C4(CCCCC4)C3)nc(N)c2cc1OC	ZINC000441822855	1075707057	/nfs/dbraw/zinc/70/70/57/1075707057.db2.gz	KQNVBGDGMJGUNZ-UHFFFAOYSA-N	1	1	406.508	2.167	20	0		HDADMO
COC(C)(C)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439142	1075714206	/nfs/dbraw/zinc/71/42/06/1075714206.db2.gz	OBHHMMTXVGICTE-MSOLQXFVSA-N	1	1	404.555	1.633	20	0		HDADMO
Cc1cccc(OC[C@H](O)C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1	ZINC000438644571	1075715957	/nfs/dbraw/zinc/71/59/57/1075715957.db2.gz	BBMNSEKAZFJREL-GOSISDBHSA-N	1	1	407.518	2.078	20	0		HDADMO
C[C@H](c1ccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)cc1)[NH+]1CCOCC1	ZINC000485033690	1075715965	/nfs/dbraw/zinc/71/59/65/1075715965.db2.gz	MFADOWLTHZEFTM-CQSZACIVSA-N	1	1	417.539	1.868	20	0		HDADMO
CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C	ZINC000509438721	1075716362	/nfs/dbraw/zinc/71/63/62/1075716362.db2.gz	NPMYTZFLGRPGAR-HFJQGTKSSA-N	1	1	416.566	1.633	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1	ZINC000425996170	1075716417	/nfs/dbraw/zinc/71/64/17/1075716417.db2.gz	OJAWWVAHBJFTCT-ZBFHGGJFSA-N	1	1	401.540	1.787	20	0		HDADMO
Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1N	ZINC000467574717	1075718406	/nfs/dbraw/zinc/71/84/06/1075718406.db2.gz	CPBVCODGLCWBNA-OAHLLOKOSA-N	1	1	422.493	1.187	20	0		HDADMO
Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1N	ZINC000467574717	1075718408	/nfs/dbraw/zinc/71/84/08/1075718408.db2.gz	CPBVCODGLCWBNA-OAHLLOKOSA-N	1	1	422.493	1.187	20	0		HDADMO
Cc1cccn2cc(CC(=O)OCC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)nc12	ZINC000732359326	1075722914	/nfs/dbraw/zinc/72/29/14/1075722914.db2.gz	VLJSFXFCUHOJQW-SFHVURJKSA-N	1	1	402.495	1.201	20	0		HDADMO
CCC1(CO)CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000509442073	1075727314	/nfs/dbraw/zinc/72/73/14/1075727314.db2.gz	MNPKUIMUYBGPEZ-LJQANCHMSA-N	1	1	416.566	1.324	20	0		HDADMO
CCn1nc(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)ccc1=O	ZINC000732374901	1075729017	/nfs/dbraw/zinc/72/90/17/1075729017.db2.gz	VRVDSTNSKGGOSD-UHFFFAOYSA-N	1	1	412.490	1.463	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)CC2)nc2ccccc12	ZINC000462028064	1075728998	/nfs/dbraw/zinc/72/89/98/1075728998.db2.gz	CPPSDRNLRZCVHC-OAQYLSRUSA-N	1	1	416.529	2.131	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)CC2)nc2ccccc12	ZINC000462028064	1075729004	/nfs/dbraw/zinc/72/90/04/1075729004.db2.gz	CPPSDRNLRZCVHC-OAQYLSRUSA-N	1	1	416.529	2.131	20	0		HDADMO
C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1Cc1ccccc1	ZINC000511719901	1075734232	/nfs/dbraw/zinc/73/42/32/1075734232.db2.gz	BNNFVDOWVLGMEK-YLJYHZDGSA-N	1	1	424.549	1.868	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H](C)c1nccs1	ZINC000509442918	1075734442	/nfs/dbraw/zinc/73/44/42/1075734442.db2.gz	VJLDSWHOKLKAIN-DLBZAZTESA-N	1	1	415.563	1.690	20	0		HDADMO
COC(=O)Cc1ccc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)cc1	ZINC000543687889	1075740720	/nfs/dbraw/zinc/74/07/20/1075740720.db2.gz	VKNLJCZCINOOSP-UHFFFAOYSA-N	1	1	423.579	1.440	20	0		HDADMO
CN(CCS(C)(=O)=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000732432505	1075743839	/nfs/dbraw/zinc/74/38/39/1075743839.db2.gz	KOCSXAUJTDMPOQ-UHFFFAOYSA-N	1	1	408.524	1.482	20	0		HDADMO
CN(c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1F)C1CCCCC1	ZINC000732485427	1075747881	/nfs/dbraw/zinc/74/78/81/1075747881.db2.gz	QONWTYUQDUJCCZ-SFHVURJKSA-N	1	1	419.545	1.895	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccnc(C(=O)OC)c3)cc2)CC1	ZINC000429268359	1075750313	/nfs/dbraw/zinc/75/03/13/1075750313.db2.gz	BDFZJKDJDACLJN-UHFFFAOYSA-N	1	1	410.474	1.827	20	0		HDADMO
CC[C@@H](c1nn(CN2CCNC(=O)C2)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C	ZINC000732461076	1075750549	/nfs/dbraw/zinc/75/05/49/1075750549.db2.gz	MLCDAKIZGMFMLH-INIZCTEOSA-N	1	1	404.540	1.814	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1	ZINC000732463848	1075751847	/nfs/dbraw/zinc/75/18/47/1075751847.db2.gz	SSGJYVJCBKOCKQ-KRWDZBQOSA-N	1	1	403.527	1.307	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	ZINC000732465375	1075752936	/nfs/dbraw/zinc/75/29/36/1075752936.db2.gz	DKKZCIXFKHGJMR-MRXNPFEDSA-N	1	1	412.556	1.996	20	0		HDADMO
CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000732465998	1075753507	/nfs/dbraw/zinc/75/35/07/1075753507.db2.gz	PBUWFUADNUUERO-IIDMSEBBSA-N	1	1	406.914	1.950	20	0		HDADMO
CN(C)c1nc(NC[C@@H](O)COc2ccc(I)cc2)cc[nH+]1	ZINC000610130130	1075754601	/nfs/dbraw/zinc/75/46/01/1075754601.db2.gz	HKVFALGPDHVJPL-GFCCVEGCSA-N	1	1	414.247	1.999	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000525485368	1075755714	/nfs/dbraw/zinc/75/57/14/1075755714.db2.gz	DSUDBUXPEATSNM-DNVCBOLYSA-N	1	1	423.521	1.272	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000525485368	1075755717	/nfs/dbraw/zinc/75/57/17/1075755717.db2.gz	DSUDBUXPEATSNM-DNVCBOLYSA-N	1	1	423.521	1.272	20	0		HDADMO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1	ZINC000509264539	1075760844	/nfs/dbraw/zinc/76/08/44/1075760844.db2.gz	QTNVHISFYXDTKA-UHFFFAOYSA-N	1	1	401.555	1.240	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)cn1	ZINC000732485046	1075762337	/nfs/dbraw/zinc/76/23/37/1075762337.db2.gz	UPFPBXZDROJEPG-CYBMUJFWSA-N	1	1	416.482	1.886	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1)C1CC1	ZINC000804223552	1075775960	/nfs/dbraw/zinc/77/59/60/1075775960.db2.gz	FAOLYDRBZBLJJS-SZMVWBNQSA-N	1	1	422.570	1.739	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)C1CC1	ZINC000804225033	1075776851	/nfs/dbraw/zinc/77/68/51/1075776851.db2.gz	RYVVRKWZWQMNNA-HNNXBMFYSA-N	1	1	402.495	1.763	20	0		HDADMO
C[NH+]1CCC(CNC(=O)Nc2ccn(CC(F)(F)F)n2)(N2CCCCC2)CC1	ZINC000448291078	1075776980	/nfs/dbraw/zinc/77/69/80/1075776980.db2.gz	VTINRVNTXDOXGK-UHFFFAOYSA-N	1	1	402.465	2.517	20	0		HDADMO
NC(=[NH+]OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCOCC1	ZINC000732570861	1075782014	/nfs/dbraw/zinc/78/20/14/1075782014.db2.gz	WWVDKPMUWRDRFB-UHFFFAOYSA-N	1	1	410.496	1.335	20	0		HDADMO
CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559280	1075785547	/nfs/dbraw/zinc/78/55/47/1075785547.db2.gz	KLZYNRJRQAQHHK-JXFKEZNVSA-N	1	1	402.514	1.806	20	0		HDADMO
CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559280	1075785550	/nfs/dbraw/zinc/78/55/50/1075785550.db2.gz	KLZYNRJRQAQHHK-JXFKEZNVSA-N	1	1	402.514	1.806	20	0		HDADMO
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565058	1075789785	/nfs/dbraw/zinc/78/97/85/1075789785.db2.gz	VCVTUJPUMWGMAQ-FXAWDEMLSA-N	1	1	402.539	1.928	20	0		HDADMO
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565058	1075789791	/nfs/dbraw/zinc/78/97/91/1075789791.db2.gz	VCVTUJPUMWGMAQ-FXAWDEMLSA-N	1	1	402.539	1.928	20	0		HDADMO
CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565403	1075789883	/nfs/dbraw/zinc/78/98/83/1075789883.db2.gz	YPGRYKTWXQSMDK-QGZVFWFLSA-N	1	1	420.941	1.692	20	0		HDADMO
CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565403	1075789887	/nfs/dbraw/zinc/78/98/87/1075789887.db2.gz	YPGRYKTWXQSMDK-QGZVFWFLSA-N	1	1	420.941	1.692	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1	ZINC000448507138	1075790858	/nfs/dbraw/zinc/79/08/58/1075790858.db2.gz	DOLXUYQAESSZSR-HIFRSBDPSA-N	1	1	409.412	2.336	20	0		HDADMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C[C@@H]1Cc1ccccc1	ZINC000551757612	1075790967	/nfs/dbraw/zinc/79/09/67/1075790967.db2.gz	VDERHDHKKSKYLD-FQEVSTJZSA-N	1	1	418.501	1.650	20	0		HDADMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C[C@@H]1Cc1ccccc1	ZINC000551757612	1075790972	/nfs/dbraw/zinc/79/09/72/1075790972.db2.gz	VDERHDHKKSKYLD-FQEVSTJZSA-N	1	1	418.501	1.650	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C(=O)Nc1ccccc1	ZINC000732594531	1075792142	/nfs/dbraw/zinc/79/21/42/1075792142.db2.gz	XXZXMAKTWQHPSA-QGZVFWFLSA-N	1	1	423.517	1.910	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCCCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1	ZINC000613504155	1075797684	/nfs/dbraw/zinc/79/76/84/1075797684.db2.gz	WJASITCUBFQKSR-SFHVURJKSA-N	1	1	409.600	1.942	20	0		HDADMO
CCc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1CC	ZINC000487866326	1075804813	/nfs/dbraw/zinc/80/48/13/1075804813.db2.gz	CDOZPADFFVKRDT-IBGZPJMESA-N	1	1	402.539	1.809	20	0		HDADMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000491515947	1075808328	/nfs/dbraw/zinc/80/83/28/1075808328.db2.gz	VXGOBSYTFSLLBO-SMDDNHRTSA-N	1	1	422.411	1.824	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1	ZINC000462947449	1075809700	/nfs/dbraw/zinc/80/97/00/1075809700.db2.gz	ULCQKKDCAXARQN-LPHOPBHVSA-N	1	1	410.522	2.359	20	0		HDADMO
CC(C)CCn1ccc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1	ZINC000535994012	1075813418	/nfs/dbraw/zinc/81/34/18/1075813418.db2.gz	NJRGQUVHZPZNCB-DFNIBXOVSA-N	1	1	416.570	1.637	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C[N@H+]1Cc1ccccc1	ZINC000466685244	1075815069	/nfs/dbraw/zinc/81/50/69/1075815069.db2.gz	ZRAUNMFRIMKJSN-ZFWWWQNUSA-N	1	1	401.536	2.553	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000611036612	1075817995	/nfs/dbraw/zinc/81/79/95/1075817995.db2.gz	FACVCHAPIQBJBJ-OAHLLOKOSA-N	1	1	411.524	1.636	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000611036612	1075817998	/nfs/dbraw/zinc/81/79/98/1075817998.db2.gz	FACVCHAPIQBJBJ-OAHLLOKOSA-N	1	1	411.524	1.636	20	0		HDADMO
C[N@@H+](CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCCC1	ZINC000732673417	1075827389	/nfs/dbraw/zinc/82/73/89/1075827389.db2.gz	HAXAPDWRHQVRKB-UHFFFAOYSA-N	1	1	414.494	1.722	20	0		HDADMO
CC[N@@H+](CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(C)C	ZINC000732673429	1075827455	/nfs/dbraw/zinc/82/74/55/1075827455.db2.gz	HMPIFMAJISSHDL-UHFFFAOYSA-N	1	1	402.483	1.578	20	0		HDADMO
CC[N@H+]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C[C@H]1C	ZINC000611088311	1075827605	/nfs/dbraw/zinc/82/76/05/1075827605.db2.gz	OYNGRPBJKOZXHB-SJLPKXTDSA-N	1	1	413.609	1.948	20	0		HDADMO
CC(C)C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cc[nH]n1	ZINC000479644049	1075828358	/nfs/dbraw/zinc/82/83/58/1075828358.db2.gz	LINIJRONRIHFDM-LJQANCHMSA-N	1	1	412.538	1.697	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000732675894	1075830103	/nfs/dbraw/zinc/83/01/03/1075830103.db2.gz	MWNZNIKXULIYDE-KBPBESRZSA-N	1	1	412.478	1.474	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1	ZINC000732678007	1075830886	/nfs/dbraw/zinc/83/08/86/1075830886.db2.gz	KFSAOFALZYZTKM-UHFFFAOYSA-N	1	1	411.572	1.614	20	0		HDADMO
O=C(COC(=O)c1ccnc(C2CC2)n1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000732694465	1075833183	/nfs/dbraw/zinc/83/31/83/1075833183.db2.gz	MBXQYXMVACBFCZ-UHFFFAOYSA-N	1	1	402.495	1.662	20	0		HDADMO
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000509284473	1075835648	/nfs/dbraw/zinc/83/56/48/1075835648.db2.gz	HHFQOKJMYIVLCP-KZNAEPCWSA-N	1	1	409.571	1.798	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1	ZINC000732703800	1075837911	/nfs/dbraw/zinc/83/79/11/1075837911.db2.gz	LAQMNAFFMKXLOD-VAMGGRTRSA-N	1	1	422.957	1.564	20	0		HDADMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000550417403	1075843610	/nfs/dbraw/zinc/84/36/10/1075843610.db2.gz	KQFPZEAQDZPJFN-UHFFFAOYSA-N	1	1	408.300	2.030	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429295052	1075846238	/nfs/dbraw/zinc/84/62/38/1075846238.db2.gz	AAXRUZACVJHQPF-KSZLIROESA-N	1	1	418.538	1.749	20	0		HDADMO
CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cs1	ZINC000732764952	1075848494	/nfs/dbraw/zinc/84/84/94/1075848494.db2.gz	VLKUSCZSHBSFME-HUUCEWRRSA-N	1	1	410.540	1.839	20	0		HDADMO
CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCCN1CCN(c2ccccc2)CC1	ZINC000509292556	1075856910	/nfs/dbraw/zinc/85/69/10/1075856910.db2.gz	ASXUJIQAFWNXNC-OAQYLSRUSA-N	1	1	408.612	1.993	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1	ZINC000556525461	1075860263	/nfs/dbraw/zinc/86/02/63/1075860263.db2.gz	CCVIABRQHUYFSV-FUHWJXTLSA-N	1	1	411.506	2.372	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCSC(F)(F)F)cc2)CC1	ZINC000143580059	1075861217	/nfs/dbraw/zinc/86/12/17/1075861217.db2.gz	OPXHZOPCSKASCX-UHFFFAOYSA-N	1	1	418.441	1.382	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(F)c2I)C[C@@H]1C	ZINC000611150542	1075862887	/nfs/dbraw/zinc/86/28/87/1075862887.db2.gz	KKWACEZTDCJEIB-JTQLQIEISA-N	1	1	419.238	1.921	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(F)c2I)C[C@@H]1C	ZINC000611150542	1075862890	/nfs/dbraw/zinc/86/28/90/1075862890.db2.gz	KKWACEZTDCJEIB-JTQLQIEISA-N	1	1	419.238	1.921	20	0		HDADMO
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732778774	1075864132	/nfs/dbraw/zinc/86/41/32/1075864132.db2.gz	IYCSBYTWVSSPQW-RDJZCZTQSA-N	1	1	414.616	1.918	20	0		HDADMO
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732778774	1075864135	/nfs/dbraw/zinc/86/41/35/1075864135.db2.gz	IYCSBYTWVSSPQW-RDJZCZTQSA-N	1	1	414.616	1.918	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)C2)CC1	ZINC000732781379	1075864679	/nfs/dbraw/zinc/86/46/79/1075864679.db2.gz	QJJWWKOELZQYBZ-HIFRSBDPSA-N	1	1	406.449	1.434	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)C2)CC1	ZINC000732781379	1075864682	/nfs/dbraw/zinc/86/46/82/1075864682.db2.gz	QJJWWKOELZQYBZ-HIFRSBDPSA-N	1	1	406.449	1.434	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)C2)CC1	ZINC000732781404	1075864787	/nfs/dbraw/zinc/86/47/87/1075864787.db2.gz	QYPHSXAYALEPPT-QUCCMNQESA-N	1	1	400.523	1.855	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)C2)CC1	ZINC000732781404	1075864789	/nfs/dbraw/zinc/86/47/89/1075864789.db2.gz	QYPHSXAYALEPPT-QUCCMNQESA-N	1	1	400.523	1.855	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732780676	1075865272	/nfs/dbraw/zinc/86/52/72/1075865272.db2.gz	LTXWYZOETVSJFB-RXWSAZGZSA-N	1	1	413.501	1.403	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732780676	1075865275	/nfs/dbraw/zinc/86/52/75/1075865275.db2.gz	LTXWYZOETVSJFB-RXWSAZGZSA-N	1	1	413.501	1.403	20	0		HDADMO
Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2=O)cc1F	ZINC000732782367	1075866270	/nfs/dbraw/zinc/86/62/70/1075866270.db2.gz	YAQYQFNDXKILDP-IAGOWNOFSA-N	1	1	402.514	1.772	20	0		HDADMO
Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2=O)cc1F	ZINC000732782367	1075866280	/nfs/dbraw/zinc/86/62/80/1075866280.db2.gz	YAQYQFNDXKILDP-IAGOWNOFSA-N	1	1	402.514	1.772	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1	ZINC000732781726	1075866873	/nfs/dbraw/zinc/86/68/73/1075866873.db2.gz	SLRPEMKNGYMAAD-PMACEKPBSA-N	1	1	410.562	1.813	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1	ZINC000732781726	1075866879	/nfs/dbraw/zinc/86/68/79/1075866879.db2.gz	SLRPEMKNGYMAAD-PMACEKPBSA-N	1	1	410.562	1.813	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1	ZINC000732782738	1075867649	/nfs/dbraw/zinc/86/76/49/1075867649.db2.gz	ZCHVNARPDXZLHD-MSOLQXFVSA-N	1	1	418.969	1.973	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1	ZINC000732782738	1075867654	/nfs/dbraw/zinc/86/76/54/1075867654.db2.gz	ZCHVNARPDXZLHD-MSOLQXFVSA-N	1	1	418.969	1.973	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732810250	1075871699	/nfs/dbraw/zinc/87/16/99/1075871699.db2.gz	WCIRQTUBEQPIQD-SFHVURJKSA-N	1	1	402.495	1.958	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732810250	1075871705	/nfs/dbraw/zinc/87/17/05/1075871705.db2.gz	WCIRQTUBEQPIQD-SFHVURJKSA-N	1	1	402.495	1.958	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732809780	1075872016	/nfs/dbraw/zinc/87/20/16/1075872016.db2.gz	OOBSAGCGRAYHFY-MSOLQXFVSA-N	1	1	416.522	1.429	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732809780	1075872020	/nfs/dbraw/zinc/87/20/20/1075872020.db2.gz	OOBSAGCGRAYHFY-MSOLQXFVSA-N	1	1	416.522	1.429	20	0		HDADMO
COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732813155	1075874508	/nfs/dbraw/zinc/87/45/08/1075874508.db2.gz	IGBPONVGCKRGFU-ZFWWWQNUSA-N	1	1	404.385	1.308	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732813151	1075874525	/nfs/dbraw/zinc/87/45/25/1075874525.db2.gz	IGBPONVGCKRGFU-HIFRSBDPSA-N	1	1	404.385	1.308	20	0		HDADMO
COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732813150	1075874698	/nfs/dbraw/zinc/87/46/98/1075874698.db2.gz	IGBPONVGCKRGFU-DZGCQCFKSA-N	1	1	404.385	1.308	20	0		HDADMO
COCCOCCN1C(=O)C[C@@H]([NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1=O	ZINC000732819516	1075878908	/nfs/dbraw/zinc/87/89/08/1075878908.db2.gz	YVWDULJVGUPYQI-MRXNPFEDSA-N	1	1	413.515	1.108	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@@H]1C	ZINC000611225413	1075880739	/nfs/dbraw/zinc/88/07/39/1075880739.db2.gz	WIQIOKORADQSGB-RYUDHWBXSA-N	1	1	411.524	1.983	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000611244143	1075885039	/nfs/dbraw/zinc/88/50/39/1075885039.db2.gz	DOZYENSFMMWIGD-QUCCMNQESA-N	1	1	419.522	1.017	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1	ZINC000611244143	1075885044	/nfs/dbraw/zinc/88/50/44/1075885044.db2.gz	DOZYENSFMMWIGD-QUCCMNQESA-N	1	1	419.522	1.017	20	0		HDADMO
COc1c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1C	ZINC000732854883	1075886883	/nfs/dbraw/zinc/88/68/83/1075886883.db2.gz	RPLRZIHRURKANK-DOTOQJQBSA-N	1	1	400.479	1.673	20	0		HDADMO
C[N@H+]1CCC[C@H](NC(=O)c2cnc3ccc(I)cc3c2O)C1	ZINC000611305142	1075895562	/nfs/dbraw/zinc/89/55/62/1075895562.db2.gz	GHIQUKYDYZWUFZ-NSHDSACASA-N	1	1	411.243	1.957	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1	ZINC000611321393	1075899644	/nfs/dbraw/zinc/89/96/44/1075899644.db2.gz	AASBPQMADVDZST-INIZCTEOSA-N	1	1	419.588	1.074	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000611321384	1075899661	/nfs/dbraw/zinc/89/96/61/1075899661.db2.gz	OHQRXCMKIGGIAC-IRXDYDNUSA-N	1	1	419.522	1.864	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000611322368	1075900071	/nfs/dbraw/zinc/90/00/71/1075900071.db2.gz	XGPZFAWPWJSTQG-CYBMUJFWSA-N	1	1	405.451	1.975	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000611322368	1075900072	/nfs/dbraw/zinc/90/00/72/1075900072.db2.gz	XGPZFAWPWJSTQG-CYBMUJFWSA-N	1	1	405.451	1.975	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1	ZINC000611321306	1075900105	/nfs/dbraw/zinc/90/01/05/1075900105.db2.gz	LXVXSJIEDXAODI-GOSISDBHSA-N	1	1	403.523	1.802	20	0		HDADMO
O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732872006	1075902108	/nfs/dbraw/zinc/90/21/08/1075902108.db2.gz	RLLSXWAOCRKWJF-ROUUACIJSA-N	1	1	400.479	1.341	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000732913846	1075911218	/nfs/dbraw/zinc/91/12/18/1075911218.db2.gz	CZHCVVPXKRVOSO-IBGZPJMESA-N	1	1	418.586	1.910	20	0		HDADMO
COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000611365612	1075913630	/nfs/dbraw/zinc/91/36/30/1075913630.db2.gz	GETJJIRQTATDJE-UONOGXRCSA-N	1	1	409.508	1.148	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1	ZINC000732899033	1075915963	/nfs/dbraw/zinc/91/59/63/1075915963.db2.gz	NEBBVSXSPIXFFO-INIZCTEOSA-N	1	1	422.420	1.575	20	0		HDADMO
CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000611382504	1075922777	/nfs/dbraw/zinc/92/27/77/1075922777.db2.gz	GWPFIRJIEXJVSH-MSOLQXFVSA-N	1	1	417.506	1.638	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C	ZINC000611456084	1075938709	/nfs/dbraw/zinc/93/87/09/1075938709.db2.gz	JZFOUXGBGXAZBG-VXGBXAGGSA-N	1	1	411.524	1.786	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733046341	1075952805	/nfs/dbraw/zinc/95/28/05/1075952805.db2.gz	PEDFUULSNCXSNP-GOEBONIOSA-N	1	1	414.506	1.824	20	0		HDADMO
COC(=O)c1ccc(OCCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1	ZINC000611546636	1075959610	/nfs/dbraw/zinc/95/96/10/1075959610.db2.gz	YFSBSZIZKWVTDV-UHFFFAOYSA-N	1	1	409.402	1.188	20	0		HDADMO
Cc1cc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1N1C(=O)CCC1=O	ZINC000733036171	1075960925	/nfs/dbraw/zinc/96/09/25/1075960925.db2.gz	NHHLWNJOWAXMOT-QGZVFWFLSA-N	1	1	400.479	1.977	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)[nH+]c1	ZINC000733038479	1075961801	/nfs/dbraw/zinc/96/18/01/1075961801.db2.gz	OYZSHICIJRCLOG-UHFFFAOYSA-N	1	1	419.498	1.756	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC2(CC[NH+](Cc3ncccn3)CC2)[C@H]2COC[C@H]21	ZINC001079252166	1075967346	/nfs/dbraw/zinc/96/73/46/1075967346.db2.gz	AXKWVKFFJGIYST-BHQCHZOVSA-N	1	1	410.518	1.339	20	0		HDADMO
Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1ccccc1F	ZINC001079313848	1075969090	/nfs/dbraw/zinc/96/90/90/1075969090.db2.gz	VGPZLFKKZYTBMZ-KXOCWROSSA-N	1	1	400.458	1.001	20	0		HDADMO
C[C@H]1C[C@@H](CCNC(=O)N(CCO)CCN2CCOCC2)C[N@H+]1Cc1ccccc1	ZINC000490991415	1075970628	/nfs/dbraw/zinc/97/06/28/1075970628.db2.gz	AWMFGAOIPYNLMV-RBBKRZOGSA-N	1	1	418.582	1.623	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=S)NCCN1CCN(C(=O)C2CCCCC2)CC1	ZINC000733087715	1075971271	/nfs/dbraw/zinc/97/12/71/1075971271.db2.gz	XDVHAXWAJCQGCF-IBGZPJMESA-N	1	1	409.644	1.659	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CCOC2=O)CC1=O	ZINC000733143186	1075975059	/nfs/dbraw/zinc/97/50/59/1075975059.db2.gz	BUBNKZRYYSXZKT-HOTGVXAUSA-N	1	1	400.479	1.915	20	0		HDADMO
CN1CC[NH+](CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733125573	1075978553	/nfs/dbraw/zinc/97/85/53/1075978553.db2.gz	ZRTRBQQJDYVQLX-FXBPSFAMSA-N	1	1	407.518	1.606	20	0		HDADMO
COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000507960061	1075980225	/nfs/dbraw/zinc/98/02/25/1075980225.db2.gz	BJEHXMBVNKITHB-YIONKMFJSA-N	1	1	424.523	1.089	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C(F)(F)F)n1	ZINC000733155300	1075989263	/nfs/dbraw/zinc/98/92/63/1075989263.db2.gz	AKUJHCIKWILTID-WMLDXEAASA-N	1	1	422.517	1.980	20	0		HDADMO
CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)N1CC[NH+](C)CC1	ZINC000733157348	1075990233	/nfs/dbraw/zinc/99/02/33/1075990233.db2.gz	SPJWXNQIOXNQRY-LSDHHAIUSA-N	1	1	408.465	1.538	20	0		HDADMO
O=C(CS(=O)(=O)CCCc1ccccc1)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000733159679	1075992932	/nfs/dbraw/zinc/99/29/32/1075992932.db2.gz	HQRYKXZVELHUET-HXUWFJFHSA-N	1	1	408.564	1.794	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)no1	ZINC000511227408	1075993128	/nfs/dbraw/zinc/99/31/28/1075993128.db2.gz	BWBZLXLQNGJDLI-YOEHRIQHSA-N	1	1	404.515	1.415	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)CC[N@H+]1C	ZINC001080877794	1075994368	/nfs/dbraw/zinc/99/43/68/1075994368.db2.gz	MMOQNIXNDFFIMJ-LCWAXJCOSA-N	1	1	403.567	1.789	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCN2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1	ZINC000511822855	1075999041	/nfs/dbraw/zinc/99/90/41/1075999041.db2.gz	IVGLAGIZBNJMKJ-MQSCRBSSSA-N	1	1	404.599	1.206	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCN2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1	ZINC000511822855	1075999044	/nfs/dbraw/zinc/99/90/44/1075999044.db2.gz	IVGLAGIZBNJMKJ-MQSCRBSSSA-N	1	1	404.599	1.206	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1	ZINC000733169612	1075999819	/nfs/dbraw/zinc/99/98/19/1075999819.db2.gz	DHHDMZXPASNLKV-GOSISDBHSA-N	1	1	401.555	1.324	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000733170766	1076000461	/nfs/dbraw/zinc/00/04/61/1076000461.db2.gz	RYBJYIPRDNTJRI-CGQZWFTASA-N	1	1	408.568	1.461	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)cc1	ZINC000733183266	1076011683	/nfs/dbraw/zinc/01/16/83/1076011683.db2.gz	AFQOHFUUTHKOGG-UHFFFAOYSA-N	1	1	415.519	1.790	20	0		HDADMO
COCCN(CCC(=O)OC)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000733222419	1076014832	/nfs/dbraw/zinc/01/48/32/1076014832.db2.gz	FFKIICKLQMHIHA-UHFFFAOYSA-N	1	1	415.494	1.215	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)no1	ZINC000514026978	1076016568	/nfs/dbraw/zinc/01/65/68/1076016568.db2.gz	MTMCSBCCMONDNG-HQSKLWIPSA-N	1	1	418.542	1.780	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001081958665	1076019235	/nfs/dbraw/zinc/01/92/35/1076019235.db2.gz	ZWTPURCFRRLLBV-AYZHRIAMSA-N	1	1	401.507	1.776	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001081958665	1076019241	/nfs/dbraw/zinc/01/92/41/1076019241.db2.gz	ZWTPURCFRRLLBV-AYZHRIAMSA-N	1	1	401.507	1.776	20	0		HDADMO
CCc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)cc1	ZINC001081974862	1076021000	/nfs/dbraw/zinc/02/10/00/1076021000.db2.gz	GATWQRQVNMMPKB-VNXMGFANSA-N	1	1	402.535	1.658	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O	ZINC000733274219	1076027043	/nfs/dbraw/zinc/02/70/43/1076027043.db2.gz	VFRAACSWZPJHGL-LAUBAEHRSA-N	1	1	404.486	1.973	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000727032814	1076029251	/nfs/dbraw/zinc/02/92/51/1076029251.db2.gz	JHQPOPBUDIAONM-UHFFFAOYSA-N	1	1	418.460	1.991	20	0		HDADMO
CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1	ZINC000733301896	1076033761	/nfs/dbraw/zinc/03/37/61/1076033761.db2.gz	XNORPYKLQFBWMO-GFCCVEGCSA-N	1	1	414.325	1.735	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC(=O)OCc2ccccc2Cl)C1	ZINC000733347407	1076043220	/nfs/dbraw/zinc/04/32/20/1076043220.db2.gz	XFKJADUCHREFCT-AWEZNQCLSA-N	1	1	410.902	1.270	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(=NNC(=S)NCC(C)(C)C[NH+](C)C)[nH]c1	ZINC000727073599	1076045927	/nfs/dbraw/zinc/04/59/27/1076045927.db2.gz	FMOWJXGPRICHEX-UHFFFAOYSA-N	1	1	402.590	1.147	20	0		HDADMO
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000727135735	1076051014	/nfs/dbraw/zinc/05/10/14/1076051014.db2.gz	PAPOSRXFCANSOK-SFHVURJKSA-N	1	1	418.538	1.994	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1=O	ZINC000733359056	1076051629	/nfs/dbraw/zinc/05/16/29/1076051629.db2.gz	XIRICDIMVDGBFC-PXNSSMCTSA-N	1	1	414.550	1.919	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1=O	ZINC000733359055	1076051738	/nfs/dbraw/zinc/05/17/38/1076051738.db2.gz	XIRICDIMVDGBFC-FXAWDEMLSA-N	1	1	414.550	1.919	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1	ZINC000053524872	1076058074	/nfs/dbraw/zinc/05/80/74/1076058074.db2.gz	WWPARAHWHWIJTK-KRWDZBQOSA-N	1	1	406.508	1.598	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@H+](CC)C[C@@H]2COc3ccccc3O2)CC1	ZINC000727225848	1076084323	/nfs/dbraw/zinc/08/43/23/1076084323.db2.gz	PGBQVFJDGKSNAO-QGZVFWFLSA-N	1	1	405.495	1.885	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@@H+](CC)C[C@@H]2COc3ccccc3O2)CC1	ZINC000727225848	1076084330	/nfs/dbraw/zinc/08/43/30/1076084330.db2.gz	PGBQVFJDGKSNAO-QGZVFWFLSA-N	1	1	405.495	1.885	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000733593951	1076120232	/nfs/dbraw/zinc/12/02/32/1076120232.db2.gz	DYTMNBRMMUCGTC-FQEVSTJZSA-N	1	1	420.506	1.468	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(=O)N(C)CCc2ccccn2)cn1	ZINC000727479034	1076129691	/nfs/dbraw/zinc/12/96/91/1076129691.db2.gz	ZTFPUIFTXFSOBO-UHFFFAOYSA-N	1	1	407.478	1.471	20	0		HDADMO
CCOC(=O)C1C(CN2CC[C@@H](C[NH+](C)C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000733614649	1076130322	/nfs/dbraw/zinc/13/03/22/1076130322.db2.gz	SZFVUQMQRBSPCN-YWZLYKJASA-N	1	1	416.522	1.750	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)CC1	ZINC000733641509	1076136006	/nfs/dbraw/zinc/13/60/06/1076136006.db2.gz	LEQQBFYRZBZCBB-UHFFFAOYSA-N	1	1	417.554	1.929	20	0		HDADMO
CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1	ZINC000727484050	1076140701	/nfs/dbraw/zinc/14/07/01/1076140701.db2.gz	COVWNOPNDQNXMV-UHFFFAOYSA-N	1	1	415.538	1.016	20	0		HDADMO
CC(=O)NCc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1	ZINC000733666261	1076146871	/nfs/dbraw/zinc/14/68/71/1076146871.db2.gz	ZXNDVGWOECUJMW-UHFFFAOYSA-N	1	1	406.446	1.467	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1	ZINC000733667966	1076148653	/nfs/dbraw/zinc/14/86/53/1076148653.db2.gz	AGAWJPNKKLYKFA-GOSISDBHSA-N	1	1	402.495	1.958	20	0		HDADMO
CO[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C(F)(F)F	ZINC000733673994	1076157069	/nfs/dbraw/zinc/15/70/69/1076157069.db2.gz	NVVSUSUTABNUCQ-HNNXBMFYSA-N	1	1	402.417	1.461	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H](OC)C(F)(F)F)CC2)CC1	ZINC000733659419	1076165067	/nfs/dbraw/zinc/16/50/67/1076165067.db2.gz	FYHBARLVAOXZAI-OAHLLOKOSA-N	1	1	408.465	1.540	20	0		HDADMO
COc1ccc(OC)c([C@H](O)CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1	ZINC000727766736	1076220702	/nfs/dbraw/zinc/22/07/02/1076220702.db2.gz	FRIPUTZVZDRNOC-IRLDBZIGSA-N	1	1	413.518	1.842	20	0		HDADMO
COc1ccc(OC)c([C@@H](O)CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1	ZINC000727766738	1076220737	/nfs/dbraw/zinc/22/07/37/1076220737.db2.gz	FRIPUTZVZDRNOC-UNMCSNQZSA-N	1	1	413.518	1.842	20	0		HDADMO
NS(=O)(=O)c1ccc(OCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000727752418	1076225594	/nfs/dbraw/zinc/22/55/94/1076225594.db2.gz	YCXRXBCJUSVCSQ-UHFFFAOYSA-N	1	1	403.504	1.447	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000533832416	1076245454	/nfs/dbraw/zinc/24/54/54/1076245454.db2.gz	LMFOZYFLQYYQIY-IBGZPJMESA-N	1	1	403.504	1.528	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000533832416	1076245459	/nfs/dbraw/zinc/24/54/59/1076245459.db2.gz	LMFOZYFLQYYQIY-IBGZPJMESA-N	1	1	403.504	1.528	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1	ZINC000533831147	1076245606	/nfs/dbraw/zinc/24/56/06/1076245606.db2.gz	MDFGHQRPVYCEBC-OAQYLSRUSA-N	1	1	413.543	1.834	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1	ZINC000533831147	1076245611	/nfs/dbraw/zinc/24/56/11/1076245611.db2.gz	MDFGHQRPVYCEBC-OAQYLSRUSA-N	1	1	413.543	1.834	20	0		HDADMO
CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000534183909	1076246936	/nfs/dbraw/zinc/24/69/36/1076246936.db2.gz	OBGPMCJEAGBWSR-RTWAWAEBSA-N	1	1	416.543	1.844	20	0		HDADMO
COCC(COC)[NH+]1CCN(C(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)CC1	ZINC001299319882	1076247886	/nfs/dbraw/zinc/24/78/86/1076247886.db2.gz	YLVKMUABDMXHMY-UHFFFAOYSA-N	1	1	401.389	1.396	20	0		HDADMO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000535267008	1076250804	/nfs/dbraw/zinc/25/08/04/1076250804.db2.gz	AIQWUXCFQBCPBW-GUYCJALGSA-N	1	1	405.524	1.007	20	0		HDADMO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535267008	1076250810	/nfs/dbraw/zinc/25/08/10/1076250810.db2.gz	AIQWUXCFQBCPBW-GUYCJALGSA-N	1	1	405.524	1.007	20	0		HDADMO
COc1ccc(-n2cnnc2SCC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1	ZINC000536208204	1076255974	/nfs/dbraw/zinc/25/59/74/1076255974.db2.gz	JZGGILUYTYNAIN-UHFFFAOYSA-N	1	1	419.551	1.673	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1	ZINC000727806861	1076259668	/nfs/dbraw/zinc/25/96/68/1076259668.db2.gz	HUUSFQZSITVCEX-UHFFFAOYSA-N	1	1	404.330	1.653	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000144462024	1076261318	/nfs/dbraw/zinc/26/13/18/1076261318.db2.gz	ZSONAUDBHJEKGC-GOSISDBHSA-N	1	1	418.494	1.541	20	0		HDADMO
COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1	ZINC000727816271	1076261894	/nfs/dbraw/zinc/26/18/94/1076261894.db2.gz	KVZZXLNRYHJPPZ-UHFFFAOYSA-N	1	1	402.495	1.180	20	0		HDADMO
CNC(=O)CC[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O	ZINC000727832995	1076264517	/nfs/dbraw/zinc/26/45/17/1076264517.db2.gz	HVZXEPAQLHIFCK-PTNGSMBKSA-N	1	1	422.482	1.046	20	0		HDADMO
COc1ccc(CCN2C(=O)C(=O)N(CN3CCC[N@H+](C(C)C)CC3)C2=O)cc1	ZINC000727824612	1076268098	/nfs/dbraw/zinc/26/80/98/1076268098.db2.gz	YZXLTKHYWWPKHZ-UHFFFAOYSA-N	1	1	402.495	1.402	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O	ZINC000727860210	1076274653	/nfs/dbraw/zinc/27/46/53/1076274653.db2.gz	XQFSBNHDLUAOFW-SFHVURJKSA-N	1	1	422.485	1.932	20	0		HDADMO
COCCN(CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C	ZINC000733957246	1076275051	/nfs/dbraw/zinc/27/50/51/1076275051.db2.gz	BLOMNCJBRMKROC-GOSISDBHSA-N	1	1	412.575	1.497	20	0		HDADMO
COCCN(CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C	ZINC000733957246	1076275056	/nfs/dbraw/zinc/27/50/56/1076275056.db2.gz	BLOMNCJBRMKROC-GOSISDBHSA-N	1	1	412.575	1.497	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000733975696	1076280144	/nfs/dbraw/zinc/28/01/44/1076280144.db2.gz	JMYUGQPNKMWWCQ-HNNXBMFYSA-N	1	1	408.465	1.684	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)NCCCN2CCC[N@H+](C)CC2)C(F)(F)F)n1	ZINC000733978445	1076281118	/nfs/dbraw/zinc/28/11/18/1076281118.db2.gz	CLYTXFHBRMTMNM-INIZCTEOSA-N	1	1	408.490	1.735	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)NCCC[N@H+]2CCCN(C)CC2)C(F)(F)F)n1	ZINC000733978445	1076281123	/nfs/dbraw/zinc/28/11/23/1076281123.db2.gz	CLYTXFHBRMTMNM-INIZCTEOSA-N	1	1	408.490	1.735	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)C(F)(F)F)n1	ZINC000733978445	1076281124	/nfs/dbraw/zinc/28/11/24/1076281124.db2.gz	CLYTXFHBRMTMNM-INIZCTEOSA-N	1	1	408.490	1.735	20	0		HDADMO
C[C@@H](OC(=O)CCN1CCCC1=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000727912541	1076286287	/nfs/dbraw/zinc/28/62/87/1076286287.db2.gz	GQYBRHOPBSBQBV-QGZVFWFLSA-N	1	1	417.506	1.079	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)n1C	ZINC000733970184	1076287611	/nfs/dbraw/zinc/28/76/11/1076287611.db2.gz	LMUZMTCPXXJVEE-UHFFFAOYSA-N	1	1	411.503	1.632	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H](O)C3CCCCC3)cc2)CC1	ZINC000727949881	1076295131	/nfs/dbraw/zinc/29/51/31/1076295131.db2.gz	YPGNNFAAJWSHAU-FQEVSTJZSA-N	1	1	402.539	1.824	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000727989998	1076298630	/nfs/dbraw/zinc/29/86/30/1076298630.db2.gz	YHOJBFIOJXOIOC-MISIWFIQSA-N	1	1	410.584	1.351	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)c3ccccc3)cc2)CC1	ZINC000734075790	1076303060	/nfs/dbraw/zinc/30/30/60/1076303060.db2.gz	IXSOETJXHINMCX-QHCPKHFHSA-N	1	1	410.518	1.791	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]21	ZINC001083148878	1076307691	/nfs/dbraw/zinc/30/76/91/1076307691.db2.gz	LFYQMLYBDUOFPE-FVCOPRDSSA-N	1	1	402.466	1.540	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]21	ZINC001083148878	1076307698	/nfs/dbraw/zinc/30/76/98/1076307698.db2.gz	LFYQMLYBDUOFPE-FVCOPRDSSA-N	1	1	402.466	1.540	20	0		HDADMO
CCc1cccc(OCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)c1	ZINC001083148884	1076307841	/nfs/dbraw/zinc/30/78/41/1076307841.db2.gz	LQZKSSSTXVBIES-ZHHZFAINSA-N	1	1	412.530	1.963	20	0		HDADMO
CCc1cccc(OCC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)c1	ZINC001083148884	1076307842	/nfs/dbraw/zinc/30/78/42/1076307842.db2.gz	LQZKSSSTXVBIES-ZHHZFAINSA-N	1	1	412.530	1.963	20	0		HDADMO
C[N@@H+](CCOc1cccc(CNC(=O)CN2CCSC2=O)c1)C1CCOCC1	ZINC000728030226	1076312056	/nfs/dbraw/zinc/31/20/56/1076312056.db2.gz	BALFVBNODPAAIP-UHFFFAOYSA-N	1	1	407.536	1.961	20	0		HDADMO
Cc1cc(F)ccc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H]2C1	ZINC001083151681	1076317230	/nfs/dbraw/zinc/31/72/30/1076317230.db2.gz	NIMOFLONEVKABL-OFOKGCAXSA-N	1	1	404.482	1.597	20	0		HDADMO
Cc1cc(F)ccc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H]2C1	ZINC001083151681	1076317237	/nfs/dbraw/zinc/31/72/37/1076317237.db2.gz	NIMOFLONEVKABL-OFOKGCAXSA-N	1	1	404.482	1.597	20	0		HDADMO
Cc1ccc(C)c(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c1	ZINC001083151821	1076317545	/nfs/dbraw/zinc/31/75/45/1076317545.db2.gz	VOIGMIPTFIOFNL-RTOMLYRKSA-N	1	1	400.519	1.767	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)C1	ZINC000728041939	1076318087	/nfs/dbraw/zinc/31/80/87/1076318087.db2.gz	FNQXUJUMPNBCJB-YVHKJVDXSA-N	1	1	416.522	1.583	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)C1	ZINC000728041939	1076318090	/nfs/dbraw/zinc/31/80/90/1076318090.db2.gz	FNQXUJUMPNBCJB-YVHKJVDXSA-N	1	1	416.522	1.583	20	0		HDADMO
CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1	ZINC000728056079	1076323209	/nfs/dbraw/zinc/32/32/09/1076323209.db2.gz	AJMKAEKAMVIPOQ-RNYZQXAPSA-N	1	1	407.536	1.242	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(Cc2ccccc2OC)CC1	ZINC000728055986	1076323390	/nfs/dbraw/zinc/32/33/90/1076323390.db2.gz	VPUNVRFZZWWXJK-ZHZULCJRSA-N	1	1	419.547	1.793	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCCN1CC[NH+](Cc2ccccc2OC)CC1	ZINC000728055986	1076323399	/nfs/dbraw/zinc/32/33/99/1076323399.db2.gz	VPUNVRFZZWWXJK-ZHZULCJRSA-N	1	1	419.547	1.793	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000728070179	1076332411	/nfs/dbraw/zinc/33/24/11/1076332411.db2.gz	FIDSRZPNHOAPSD-IPOSWJEFSA-N	1	1	408.568	1.185	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1	ZINC000728151987	1076348100	/nfs/dbraw/zinc/34/81/00/1076348100.db2.gz	KYGHWSOOBSPDST-ALKREAHSSA-N	1	1	400.504	1.668	20	0		HDADMO
O=C(CSc1nnnn1C[C@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000029629798	1076363033	/nfs/dbraw/zinc/36/30/33/1076363033.db2.gz	JXVFGBHGUDEBFM-MRXNPFEDSA-N	1	1	424.571	1.096	20	0		HDADMO
CCCCOCCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000728171438	1076363625	/nfs/dbraw/zinc/36/36/25/1076363625.db2.gz	JXWVLFHOTPCJBM-UHFFFAOYSA-N	1	1	405.495	1.999	20	0		HDADMO
CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5CCCC[C@H]45)[C@@H]3C2)C1=O	ZINC001084540734	1076370914	/nfs/dbraw/zinc/37/09/14/1076370914.db2.gz	VGGQLPKLDQHHME-IGKNDFSCSA-N	1	1	402.539	1.676	20	0		HDADMO
CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5CCCC[C@H]45)[C@@H]3C2)C1=O	ZINC001084540734	1076370926	/nfs/dbraw/zinc/37/09/26/1076370926.db2.gz	VGGQLPKLDQHHME-IGKNDFSCSA-N	1	1	402.539	1.676	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)OCC(C)C)CC2)CC1=O	ZINC000729920414	1076396029	/nfs/dbraw/zinc/39/60/29/1076396029.db2.gz	LKOMRUJUEHIDEA-MSOLQXFVSA-N	1	1	408.543	1.256	20	0		HDADMO
COc1ccc(/C=C\C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)cc1	ZINC000729979442	1076404186	/nfs/dbraw/zinc/40/41/86/1076404186.db2.gz	AIYRHWKSMFUJBP-TWGQIWQCSA-N	1	1	414.550	1.405	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1	ZINC000729980619	1076404437	/nfs/dbraw/zinc/40/44/37/1076404437.db2.gz	QYOKGCBZJJLGEM-INIZCTEOSA-N	1	1	413.515	1.451	20	0		HDADMO
C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)C[C@H](C)O1	ZINC000543691350	1076405849	/nfs/dbraw/zinc/40/58/49/1076405849.db2.gz	BONBOXPUVHBMQO-HDICACEKSA-N	1	1	404.555	1.879	20	0		HDADMO
C[C@@H]1C[N@H+](CCOC2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)C[C@H](C)O1	ZINC000543691350	1076405853	/nfs/dbraw/zinc/40/58/53/1076405853.db2.gz	BONBOXPUVHBMQO-HDICACEKSA-N	1	1	404.555	1.879	20	0		HDADMO
CCOCC[NH+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000729995474	1076410000	/nfs/dbraw/zinc/41/00/00/1076410000.db2.gz	VEIQVUHSAZGYLG-UHFFFAOYSA-N	1	1	405.467	1.276	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)cc1	ZINC000730106634	1076439523	/nfs/dbraw/zinc/43/95/23/1076439523.db2.gz	MPEPUHRRIQLBKD-UHFFFAOYSA-N	1	1	403.508	1.596	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730127292	1076459107	/nfs/dbraw/zinc/45/91/07/1076459107.db2.gz	NRGFDCGEKPONPL-HOTGVXAUSA-N	1	1	411.547	1.238	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730116179	1076462743	/nfs/dbraw/zinc/46/27/43/1076462743.db2.gz	PDKHFOVFQABURP-MRXNPFEDSA-N	1	1	411.547	1.286	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1	ZINC000730227343	1076485023	/nfs/dbraw/zinc/48/50/23/1076485023.db2.gz	CHMWXFZECANAOB-MRXNPFEDSA-N	1	1	423.521	1.206	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1	ZINC000730255501	1076500412	/nfs/dbraw/zinc/50/04/12/1076500412.db2.gz	YBANZKVYMNTUBX-IIBYNOLFSA-N	1	1	402.495	1.483	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1	ZINC000730255501	1076500421	/nfs/dbraw/zinc/50/04/21/1076500421.db2.gz	YBANZKVYMNTUBX-IIBYNOLFSA-N	1	1	402.495	1.483	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000730264902	1076505832	/nfs/dbraw/zinc/50/58/32/1076505832.db2.gz	WYLJKRXGXLCYCP-KRWDZBQOSA-N	1	1	403.527	1.719	20	0		HDADMO
CCOC(=O)c1cc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)ccc1F	ZINC000730266395	1076507790	/nfs/dbraw/zinc/50/77/90/1076507790.db2.gz	FVAYXPFAHARLOD-UHFFFAOYSA-N	1	1	401.504	1.308	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1	ZINC000730286408	1076514772	/nfs/dbraw/zinc/51/47/72/1076514772.db2.gz	MYWXASWHMXRQPE-ZDUSSCGKSA-N	1	1	408.959	1.639	20	0		HDADMO
O=C(Nc1c(F)cccc1-n1cccn1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000730387084	1076566834	/nfs/dbraw/zinc/56/68/34/1076566834.db2.gz	QADGKJLGOYIWJI-MRXNPFEDSA-N	1	1	415.469	1.663	20	0		HDADMO
CC(C)[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C[C@H](C)O	ZINC000730420510	1076575710	/nfs/dbraw/zinc/57/57/10/1076575710.db2.gz	IJGMOJXKXQXMLD-INIZCTEOSA-N	1	1	424.567	1.967	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1	ZINC000730538868	1076585544	/nfs/dbraw/zinc/58/55/44/1076585544.db2.gz	ASYBAIWGOLUWFF-HSALFYBXSA-N	1	1	421.563	1.208	20	0		HDADMO
CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000730534571	1076592746	/nfs/dbraw/zinc/59/27/46/1076592746.db2.gz	LUEIBGCNKPJPMH-OAHLLOKOSA-N	1	1	411.553	1.253	20	0		HDADMO
C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000730676263	1076635399	/nfs/dbraw/zinc/63/53/99/1076635399.db2.gz	UQHZLJRWKSDINC-UHFFFAOYSA-N	1	1	404.536	1.770	20	0		HDADMO
CN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1	ZINC000730676830	1076635882	/nfs/dbraw/zinc/63/58/82/1076635882.db2.gz	XNFPKPHROWMESU-UHFFFAOYSA-N	1	1	411.547	1.191	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1N(C)C	ZINC000730683752	1076640028	/nfs/dbraw/zinc/64/00/28/1076640028.db2.gz	LBCVMIBYXQEYIP-LJQANCHMSA-N	1	1	401.555	1.628	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)C1	ZINC000730789596	1076658828	/nfs/dbraw/zinc/65/88/28/1076658828.db2.gz	PWOHHIQFBHRNHR-SOUVJXGZSA-N	1	1	405.495	1.749	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1	ZINC000730821086	1076670096	/nfs/dbraw/zinc/67/00/96/1076670096.db2.gz	WEJLNLRLIMJTQY-OAHLLOKOSA-N	1	1	402.417	1.248	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000730955097	1076700989	/nfs/dbraw/zinc/70/09/89/1076700989.db2.gz	UGZNLDKFOBTVQL-HNNXBMFYSA-N	1	1	412.581	1.336	20	0		HDADMO
CC(C)(C)OC(=O)NCCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000730970634	1076701748	/nfs/dbraw/zinc/70/17/48/1076701748.db2.gz	KSAWXIGCABATJS-GOSISDBHSA-N	1	1	418.538	1.915	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2sccc2S(=O)(=O)C(F)F)C1	ZINC000731006278	1076704466	/nfs/dbraw/zinc/70/44/66/1076704466.db2.gz	WWFGWRGVQNHOCN-SNVBAGLBSA-N	1	1	409.480	1.062	20	0		HDADMO
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@H+](C)CCO)C2=O)cc1	ZINC000731030249	1076708845	/nfs/dbraw/zinc/70/88/45/1076708845.db2.gz	CQTAUDPYURCJKC-FOWTUZBSSA-N	1	1	407.492	1.162	20	0		HDADMO
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+](C)CCO)C2=O)cc1	ZINC000731030249	1076708849	/nfs/dbraw/zinc/70/88/49/1076708849.db2.gz	CQTAUDPYURCJKC-FOWTUZBSSA-N	1	1	407.492	1.162	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F	ZINC000731007863	1076709284	/nfs/dbraw/zinc/70/92/84/1076709284.db2.gz	VXQBWMCIJJNUJS-HNNXBMFYSA-N	1	1	415.531	1.695	20	0		HDADMO
CCc1noc(CCCC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1	ZINC000731007993	1076710074	/nfs/dbraw/zinc/71/00/74/1076710074.db2.gz	ATSDTMNHSOLJOI-SFHVURJKSA-N	1	1	413.522	1.968	20	0		HDADMO
CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1Cl	ZINC000731019914	1076712515	/nfs/dbraw/zinc/71/25/15/1076712515.db2.gz	MDNWXGCLJLBXDZ-AWEZNQCLSA-N	1	1	401.916	1.736	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2F)C[C@@H](C)O1	ZINC000731133531	1076736554	/nfs/dbraw/zinc/73/65/54/1076736554.db2.gz	BDDPMHNLEPXMSK-IIDMSEBBSA-N	1	1	418.513	1.978	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)COc3ccccc3C=O)CC2)CC1	ZINC000731178319	1076745139	/nfs/dbraw/zinc/74/51/39/1076745139.db2.gz	BCSMQBMUBFWCMV-UHFFFAOYSA-N	1	1	401.507	1.671	20	0		HDADMO
CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3C[C@@H](C2)[C@@H](C(=O)OCC)[NH2+]3)nc1Cl	ZINC001164450519	719003528	/nfs/dbraw/zinc/00/35/28/719003528.db2.gz	XSKGUVOOPYLSTC-UMNHJUIQSA-N	1	1	418.828	1.581	20	0		HDADMO
COCCN1CCN(C)C2(CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)C1=O	ZINC001164635686	719269382	/nfs/dbraw/zinc/26/93/82/719269382.db2.gz	TVLBFOUACISDSI-UHFFFAOYSA-N	1	1	402.543	1.145	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4cnccc43)CC2)C1=O	ZINC001164634737	719271355	/nfs/dbraw/zinc/27/13/55/719271355.db2.gz	NEJWLVFIXNKCSI-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4cnccc43)CC2)C1=O	ZINC001164634737	719271362	/nfs/dbraw/zinc/27/13/62/719271362.db2.gz	NEJWLVFIXNKCSI-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
Cc1cc2c(ncnc2N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1S(=O)(=O)c1ccccc1	ZINC001164669561	719379858	/nfs/dbraw/zinc/37/98/58/719379858.db2.gz	RCEIEELSYURJPU-ROUUACIJSA-N	1	1	413.503	1.496	20	0		HDADMO
CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)nc2N1C1CCCC1	ZINC001164667653	719393269	/nfs/dbraw/zinc/39/32/69/719393269.db2.gz	OJQBKBHHYYYXSL-BPQIPLTHSA-N	1	1	400.527	1.500	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)n1	ZINC001164686793	719734339	/nfs/dbraw/zinc/73/43/39/719734339.db2.gz	STZMXBJDTGTSHN-UHFFFAOYSA-N	1	1	414.510	1.326	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)ccc21	ZINC001164705594	719854592	/nfs/dbraw/zinc/85/45/92/719854592.db2.gz	UQIQPZHTPNUIEA-QVKFZJNVSA-N	1	1	400.479	1.871	20	0		HDADMO
COC(=O)c1cc2c[nH]c(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)cc-2n1	ZINC001164707651	719864117	/nfs/dbraw/zinc/86/41/17/719864117.db2.gz	UXGGHBMIIRGIOB-BTYIYWSLSA-N	1	1	416.478	1.582	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)C2	ZINC001164808573	720120336	/nfs/dbraw/zinc/12/03/36/720120336.db2.gz	FOFAWUBTMJDPQI-ZJTDPSCFSA-N	1	1	400.527	1.438	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC	ZINC001164807940	720138399	/nfs/dbraw/zinc/13/83/99/720138399.db2.gz	CZOVGABZKMVBIN-XLIONFOSSA-N	1	1	408.568	1.565	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)C2	ZINC001164816810	720187758	/nfs/dbraw/zinc/18/77/58/720187758.db2.gz	MUXJJFSKTVSDHW-NJNPRVFISA-N	1	1	414.554	1.115	20	0		HDADMO
Cn1nnc2c1CCN(c1n[nH]c(Cl)c3ncnc1-3)[C@@H]2COCC[NH+]1CCCC1	ZINC001164715468	720188005	/nfs/dbraw/zinc/18/80/05/720188005.db2.gz	CQJPBTDIHDEMPE-CYBMUJFWSA-N	1	1	417.905	1.351	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4[nH]cc(F)c43)C2)C1	ZINC001164719700	720210358	/nfs/dbraw/zinc/21/03/58/720210358.db2.gz	SQICSEHBYFABQL-GOSISDBHSA-N	1	1	410.881	1.415	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4[nH]cc(F)c43)C2)C1	ZINC001164719700	720210384	/nfs/dbraw/zinc/21/03/84/720210384.db2.gz	SQICSEHBYFABQL-GOSISDBHSA-N	1	1	410.881	1.415	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(N)=O)cc(Cl)n1)CCC2	ZINC001164814658	720211675	/nfs/dbraw/zinc/21/16/75/720211675.db2.gz	VUXVJKHEHRUBIC-UHFFFAOYSA-N	1	1	404.902	1.641	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3C(=O)OC)C2)C1	ZINC001164716814	720213229	/nfs/dbraw/zinc/21/32/29/720213229.db2.gz	FLQHZSNYDBONJA-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3C(=O)OC)C2)C1	ZINC001164716814	720213235	/nfs/dbraw/zinc/21/32/35/720213235.db2.gz	FLQHZSNYDBONJA-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ncccc43)C2)C1	ZINC001164719718	720222626	/nfs/dbraw/zinc/22/26/26/720222626.db2.gz	SSBYMJHRWFPODB-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ncccc43)C2)C1	ZINC001164719718	720222634	/nfs/dbraw/zinc/22/26/34/720222634.db2.gz	SSBYMJHRWFPODB-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1	ZINC001164718529	720225322	/nfs/dbraw/zinc/22/53/22/720225322.db2.gz	MXMWMMSACZNPNE-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1	ZINC001164718529	720225333	/nfs/dbraw/zinc/22/53/33/720225333.db2.gz	MXMWMMSACZNPNE-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CCOC(=O)c1ncnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C	ZINC001164813495	720225313	/nfs/dbraw/zinc/22/53/13/720225313.db2.gz	MXAWOQLCHNRGSM-UHFFFAOYSA-N	1	1	414.510	1.769	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)cc(C(=O)OC)n3)C2)C1	ZINC001164717243	720225942	/nfs/dbraw/zinc/22/59/42/720225942.db2.gz	HFMYPKUPXQOVEV-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)cc(C(=O)OC)n3)C2)C1	ZINC001164717243	720225947	/nfs/dbraw/zinc/22/59/47/720225947.db2.gz	HFMYPKUPXQOVEV-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1	ZINC001164720115	720244618	/nfs/dbraw/zinc/24/46/18/720244618.db2.gz	RMRKHNVVYBYRCD-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1	ZINC001164720115	720244626	/nfs/dbraw/zinc/24/46/26/720244626.db2.gz	RMRKHNVVYBYRCD-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC(C)(C)C)cn3)C2)C1	ZINC001164718732	720250912	/nfs/dbraw/zinc/25/09/12/720250912.db2.gz	IBMGMBNYXZYGCT-JOCHJYFZSA-N	1	1	417.554	1.275	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC(C)(C)C)cn3)C2)C1	ZINC001164718732	720250920	/nfs/dbraw/zinc/25/09/20/720250920.db2.gz	IBMGMBNYXZYGCT-JOCHJYFZSA-N	1	1	417.554	1.275	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4sc5c(c43)CCC5)C2)C1	ZINC001164723239	720283193	/nfs/dbraw/zinc/28/31/93/720283193.db2.gz	VFQZYZKPAARWCL-OAQYLSRUSA-N	1	1	415.563	1.845	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4sc5c(c43)CCC5)C2)C1	ZINC001164723239	720283209	/nfs/dbraw/zinc/28/32/09/720283209.db2.gz	VFQZYZKPAARWCL-OAQYLSRUSA-N	1	1	415.563	1.845	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc(Cl)c3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164842919	720560358	/nfs/dbraw/zinc/56/03/58/720560358.db2.gz	YVICDLDYWAESRX-SOUVJXGZSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc4nc[nH]c4c(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164835451	720561716	/nfs/dbraw/zinc/56/17/16/720561716.db2.gz	HJMRCEBCMMVVQP-YESZJQIVSA-N	1	1	409.542	1.993	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164836801	720567856	/nfs/dbraw/zinc/56/78/56/720567856.db2.gz	KYFGBRRLUWGDHY-HSALFYBXSA-N	1	1	411.554	1.888	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(S(N)(=O)=O)cc3F)CC[C@@H]21	ZINC001164844242	720647162	/nfs/dbraw/zinc/64/71/62/720647162.db2.gz	ZIDMCKATTCVDLR-MPGHIAIKSA-N	1	1	422.530	1.442	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739393	720700460	/nfs/dbraw/zinc/70/04/60/720700460.db2.gz	NOWQEMHWBGFGKL-UONOGXRCSA-N	1	1	418.885	1.368	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739392	720702020	/nfs/dbraw/zinc/70/20/20/720702020.db2.gz	NOWQEMHWBGFGKL-KGLIPLIRSA-N	1	1	418.885	1.368	20	0		HDADMO
O=C1NCc2c1c(N1CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C1)nc(Cl)c2F	ZINC001164739283	720711494	/nfs/dbraw/zinc/71/14/94/720711494.db2.gz	MTGDFEQYSLWZDF-MNOVXSKESA-N	1	1	404.833	1.249	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)[nH]c-2n1	ZINC001164746294	720731619	/nfs/dbraw/zinc/73/16/19/720731619.db2.gz	XCMFKHARPJNPJW-CVEARBPZSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2[nH]1	ZINC001164746294	720731630	/nfs/dbraw/zinc/73/16/30/720731630.db2.gz	XCMFKHARPJNPJW-CVEARBPZSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2[nH]1	ZINC001164746294	720731644	/nfs/dbraw/zinc/73/16/44/720731644.db2.gz	XCMFKHARPJNPJW-CVEARBPZSA-N	1	1	408.462	1.872	20	0		HDADMO
FC(F)(COc1ccc(Cl)nn1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743420	720763671	/nfs/dbraw/zinc/76/36/71/720763671.db2.gz	QAEFMTICOMVKEP-OLZOCXBDSA-N	1	1	412.828	1.729	20	0		HDADMO
FC(F)(COc1cncc(Cl)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164738992	720770826	/nfs/dbraw/zinc/77/08/26/720770826.db2.gz	HIBNSKJMADSHGN-OLZOCXBDSA-N	1	1	412.828	1.729	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)n2)CC1	ZINC001164846117	720777950	/nfs/dbraw/zinc/77/79/50/720777950.db2.gz	HNHCVQLQIUHKGA-ACRUOGEOSA-N	1	1	424.549	1.967	20	0		HDADMO
Clc1cc(O[C@@H]2CCOC2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164743505	720804201	/nfs/dbraw/zinc/80/42/01/720804201.db2.gz	GEXLUDUOQUMVKT-RRFJBIMHSA-N	1	1	418.885	1.430	20	0		HDADMO
COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164751941	720804378	/nfs/dbraw/zinc/80/43/78/720804378.db2.gz	YGUPTZAZVJBMTG-VXGBXAGGSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164751941	720804379	/nfs/dbraw/zinc/80/43/79/720804379.db2.gz	YGUPTZAZVJBMTG-VXGBXAGGSA-N	1	1	412.828	1.815	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164744782	720812820	/nfs/dbraw/zinc/81/28/20/720812820.db2.gz	ILHMYZZUXXEDJE-VDZJLULYSA-N	1	1	414.485	1.978	20	0		HDADMO
CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164737969	720816991	/nfs/dbraw/zinc/81/69/91/720816991.db2.gz	CSJWKWVCCZFIKU-ZIFCJYIRSA-N	1	1	411.510	1.624	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164744537	720830264	/nfs/dbraw/zinc/83/02/64/720830264.db2.gz	UYFQGGFGGFBPPS-VDHUWJSZSA-N	1	1	422.537	1.893	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@@H]2C1	ZINC001164850977	720835191	/nfs/dbraw/zinc/83/51/91/720835191.db2.gz	FXVUGXLUBFTSDU-OCCSQVGLSA-N	1	1	418.872	1.552	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(C(=O)OC)ccc43)CC[C@H]2C1	ZINC001164853691	720838841	/nfs/dbraw/zinc/83/88/41/720838841.db2.gz	OKOYSGNTXHLDNZ-LPHOPBHVSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)CC[C@H]2C1	ZINC001164853239	720847082	/nfs/dbraw/zinc/84/70/82/720847082.db2.gz	NGJFQXJVPOKGCO-HOTGVXAUSA-N	1	1	407.515	1.997	20	0		HDADMO
COCCOc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164739536	720848990	/nfs/dbraw/zinc/84/89/90/720848990.db2.gz	AZMRBCPOUHJIJZ-GUDVDZBRSA-N	1	1	413.526	1.473	20	0		HDADMO
c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(-n5cncn5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164742535	720851004	/nfs/dbraw/zinc/85/10/04/720851004.db2.gz	HHHPVABZLNSRMJ-FGTMMUONSA-N	1	1	406.498	1.028	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc4nc(C(=O)OC)cc-4c(OC)[nH]3)CC[C@H]2C1	ZINC001164858993	720852887	/nfs/dbraw/zinc/85/28/87/720852887.db2.gz	TXKIFSZZSSLRAJ-KBXCAEBGSA-N	1	1	418.494	1.532	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164750373	720852956	/nfs/dbraw/zinc/85/29/56/720852956.db2.gz	PPAFNPOZQNLDKC-YVWKXTFCSA-N	1	1	422.537	1.340	20	0		HDADMO
COCc1nc(OC)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164746859	720859099	/nfs/dbraw/zinc/85/90/99/720859099.db2.gz	GUMYCPMKSJAJQA-RCCFBDPRSA-N	1	1	413.526	1.603	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3OC)CC[C@@H]2C1	ZINC001164852324	720870516	/nfs/dbraw/zinc/87/05/16/720870516.db2.gz	CHFBPGLPDUNHIO-TZMCWYRMSA-N	1	1	406.861	1.857	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc(Cl)c(C(=O)OC)c3OC)CC[C@@H]2C1	ZINC001164862192	720870722	/nfs/dbraw/zinc/87/07/22/720870722.db2.gz	ZKIDVKKICGVBNF-UKRRQHHQSA-N	1	1	413.902	1.704	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@H]2C1	ZINC001164859521	720871179	/nfs/dbraw/zinc/87/11/79/720871179.db2.gz	UFIVYCMOFCUKTM-SWLSCSKDSA-N	1	1	418.872	1.552	20	0		HDADMO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@H]2C1	ZINC001164854480	720872025	/nfs/dbraw/zinc/87/20/25/720872025.db2.gz	KBRCZWVUTZHBTE-UONOGXRCSA-N	1	1	403.932	1.312	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@H]2C1	ZINC001164854480	720872027	/nfs/dbraw/zinc/87/20/27/720872027.db2.gz	KBRCZWVUTZHBTE-UONOGXRCSA-N	1	1	403.932	1.312	20	0		HDADMO
NC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164753302	720876575	/nfs/dbraw/zinc/87/65/75/720876575.db2.gz	OTIOZPQQWZATCE-CVDCTZTESA-N	1	1	422.533	1.726	20	0		HDADMO
O=C(c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCOCC1	ZINC001164869945	721050498	/nfs/dbraw/zinc/05/04/98/721050498.db2.gz	URUCBFXNLGWQJU-SFTDATJTSA-N	1	1	423.517	1.429	20	0		HDADMO
NC(=O)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867792	721066449	/nfs/dbraw/zinc/06/64/49/721066449.db2.gz	KLRXDRHIOBFZEF-KBPBESRZSA-N	1	1	405.861	1.848	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1	ZINC001164866123	721078029	/nfs/dbraw/zinc/07/80/29/721078029.db2.gz	RGOKDCQYDQYYRS-GJZGRUSLSA-N	1	1	423.926	1.257	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164863537	721108449	/nfs/dbraw/zinc/10/84/49/721108449.db2.gz	CTGZJZCKZXVSKK-MSOLQXFVSA-N	1	1	417.535	1.255	20	0		HDADMO
CN1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1	ZINC001164867652	721109917	/nfs/dbraw/zinc/10/99/17/721109917.db2.gz	ZGCMEKHRJZFRGY-RTWAWAEBSA-N	1	1	408.550	1.708	20	0		HDADMO
CN1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1	ZINC001164867652	721109925	/nfs/dbraw/zinc/10/99/25/721109925.db2.gz	ZGCMEKHRJZFRGY-RTWAWAEBSA-N	1	1	408.550	1.708	20	0		HDADMO
CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164872763	721123628	/nfs/dbraw/zinc/12/36/28/721123628.db2.gz	IHCONHBMTZAPIA-OALUTQOASA-N	1	1	411.506	1.898	20	0		HDADMO
NS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879929	721170106	/nfs/dbraw/zinc/17/01/06/721170106.db2.gz	VJYFTHPPKRXEKH-LSDHHAIUSA-N	1	1	423.926	1.257	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@H]3C2)cn1	ZINC001164767231	721236330	/nfs/dbraw/zinc/23/63/30/721236330.db2.gz	WKKPCAHCSCDROS-HZPDHXFCSA-N	1	1	401.946	1.810	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(Cl)cc3Cl)CC2)C1	ZINC001164879328	721263360	/nfs/dbraw/zinc/26/33/60/721263360.db2.gz	XZLLUAYAMPKAKN-UHFFFAOYSA-N	1	1	402.326	1.790	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)cn3)CC2)C1	ZINC001164868841	721263840	/nfs/dbraw/zinc/26/38/40/721263840.db2.gz	FNXCJILRDQPAOM-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(Cl)c4ccncc43)CC2)C1	ZINC001164869368	721265060	/nfs/dbraw/zinc/26/50/60/721265060.db2.gz	LXRSQLJYYMBCPY-UHFFFAOYSA-N	1	1	418.929	1.685	20	0		HDADMO
CSc1ncc(Cl)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164870286	721265576	/nfs/dbraw/zinc/26/55/76/721265576.db2.gz	VDYGWJSNCAHNDW-UHFFFAOYSA-N	1	1	413.975	1.859	20	0		HDADMO
COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1F	ZINC001164869911	721267738	/nfs/dbraw/zinc/26/77/38/721267738.db2.gz	UPSNJYKENMKSQV-UHFFFAOYSA-N	1	1	408.474	1.014	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4ncsc43)CC2)C1	ZINC001164869896	721274689	/nfs/dbraw/zinc/27/46/89/721274689.db2.gz	SPPQBTAUMVLTMX-UHFFFAOYSA-N	1	1	424.958	1.747	20	0		HDADMO
CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2	ZINC001164767859	721294550	/nfs/dbraw/zinc/29/45/50/721294550.db2.gz	AGHKCSZQQAYYGD-UHFFFAOYSA-N	1	1	401.511	1.412	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1	ZINC001164882484	721338092	/nfs/dbraw/zinc/33/80/92/721338092.db2.gz	FHNXQZWZDOYQFF-CVDCTZTESA-N	1	1	414.550	1.768	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1	ZINC001164886770	721382707	/nfs/dbraw/zinc/38/27/07/721382707.db2.gz	GDXNILMHEHFHIL-LIRRHRJNSA-N	1	1	405.934	1.772	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cnc(F)cc54)C3)O2)CC1	ZINC001164890550	721397371	/nfs/dbraw/zinc/39/73/71/721397371.db2.gz	OEYXLGGLJZIBEA-HRAATJIYSA-N	1	1	400.502	1.929	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164892128	721399581	/nfs/dbraw/zinc/39/95/81/721399581.db2.gz	RSNLYHUVECLFLY-JTSKRJEESA-N	1	1	418.538	1.642	20	0		HDADMO
COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1F	ZINC001164893047	721400544	/nfs/dbraw/zinc/40/05/44/721400544.db2.gz	ZXBBGHJHLUTESU-KKSFZXQISA-N	1	1	406.502	1.773	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1F	ZINC001164893037	721400607	/nfs/dbraw/zinc/40/06/07/721400607.db2.gz	ZXBBGHJHLUTESU-HRAATJIYSA-N	1	1	406.502	1.773	20	0		HDADMO
COc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1	ZINC001164889943	721411273	/nfs/dbraw/zinc/41/12/73/721411273.db2.gz	RXAXSTICUSANGW-JXFKEZNVSA-N	1	1	407.584	1.973	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164890619	721412411	/nfs/dbraw/zinc/41/24/11/721412411.db2.gz	UESUXOJRGBNNGK-NFBKMPQASA-N	1	1	416.566	1.953	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C(N)=O)C3)O2)CC1	ZINC001164888329	721413232	/nfs/dbraw/zinc/41/32/32/721413232.db2.gz	OFYKVLAUEMXBEX-YWZLYKJASA-N	1	1	407.946	1.599	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(n4)NC(=O)CO5)C3)O2)CC1	ZINC001164888369	721417614	/nfs/dbraw/zinc/41/76/14/721417614.db2.gz	OLGMLQQXHBLKGX-IERDGZPVSA-N	1	1	401.511	1.178	20	0		HDADMO
CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164888296	721420358	/nfs/dbraw/zinc/42/03/58/721420358.db2.gz	NYVVZDODTONKHZ-GCJKJVERSA-N	1	1	417.602	1.826	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c4CNC5=O)C3)O2)CC1	ZINC001164888288	721421451	/nfs/dbraw/zinc/42/14/51/721421451.db2.gz	NYVUEFWNPZCIRZ-VFNWGFHPSA-N	1	1	419.957	1.744	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1	ZINC001164897721	721424347	/nfs/dbraw/zinc/42/43/47/721424347.db2.gz	UNUKOPMXAUSCTL-KNQAVFIVSA-N	1	1	400.571	1.842	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(S(C)(=O)=O)cn4)C3)O2)CC1	ZINC001164896789	721429446	/nfs/dbraw/zinc/42/94/46/721429446.db2.gz	RZUWPWJWVWSIDD-YLJYHZDGSA-N	1	1	408.568	1.251	20	0		HDADMO
COCCOc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164892344	721436901	/nfs/dbraw/zinc/43/69/01/721436901.db2.gz	IEYSUEAMESFAHL-NQIIRXRSSA-N	1	1	405.543	1.267	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164893673	721441987	/nfs/dbraw/zinc/44/19/87/721441987.db2.gz	JXMLSFRTGJWIBD-YWZLYKJASA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1	ZINC001164893101	721446134	/nfs/dbraw/zinc/44/61/34/721446134.db2.gz	JAAIWBOVADSTHN-QRWLVFNGSA-N	1	1	407.946	1.599	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1	ZINC001164893099	721446573	/nfs/dbraw/zinc/44/65/73/721446573.db2.gz	JAAIWBOVADSTHN-MGPUTAFESA-N	1	1	407.946	1.599	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)n1)CC2	ZINC001164790199	721454701	/nfs/dbraw/zinc/45/47/01/721454701.db2.gz	XHTMZXAALSWQPY-SFHVURJKSA-N	1	1	418.538	1.997	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncncc1C(=O)OC)CC2	ZINC001164788659	721460340	/nfs/dbraw/zinc/46/03/40/721460340.db2.gz	VJEYTBYMLZYRII-SFHVURJKSA-N	1	1	418.538	1.997	20	0		HDADMO
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@@H]12	ZINC001164806631	721536922	/nfs/dbraw/zinc/53/69/22/721536922.db2.gz	PJPCWZWIAOUFLZ-NNMXDRDESA-N	1	1	409.538	1.149	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164907597	721543090	/nfs/dbraw/zinc/54/30/90/721543090.db2.gz	NGLQJYIIGALJSD-WMZOPIPTSA-N	1	1	420.510	1.861	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164903055	721543574	/nfs/dbraw/zinc/54/35/74/721543574.db2.gz	BYKUBENGDUGQMC-WBVHZDCISA-N	1	1	406.483	1.471	20	0		HDADMO
Cc1cc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n1)C(=O)NC2=O	ZINC001164806733	721575150	/nfs/dbraw/zinc/57/51/50/721575150.db2.gz	RJYMQQPKTOHFTO-JENIJYKNSA-N	1	1	407.474	1.537	20	0		HDADMO
Cc1cc2c(c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n1)C(=O)NC2=O	ZINC001164806733	721575154	/nfs/dbraw/zinc/57/51/54/721575154.db2.gz	RJYMQQPKTOHFTO-JENIJYKNSA-N	1	1	407.474	1.537	20	0		HDADMO
Clc1nc2nc[nH]c2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1	ZINC001164912380	721768914	/nfs/dbraw/zinc/76/89/14/721768914.db2.gz	LDWAVBGHUXKVFI-IBGZPJMESA-N	1	1	415.885	1.509	20	0		HDADMO
Clc1nc2nc[nH]c2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1	ZINC001164912380	721768916	/nfs/dbraw/zinc/76/89/16/721768916.db2.gz	LDWAVBGHUXKVFI-IBGZPJMESA-N	1	1	415.885	1.509	20	0		HDADMO
c1nc2c(ncnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1C1CC1	ZINC001164913981	721795559	/nfs/dbraw/zinc/79/55/59/721795559.db2.gz	JMMJEIWDSYZQBA-JOCHJYFZSA-N	1	1	421.505	1.664	20	0		HDADMO
c1nc2c(ncnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1C1CC1	ZINC001164913981	721795560	/nfs/dbraw/zinc/79/55/60/721795560.db2.gz	JMMJEIWDSYZQBA-JOCHJYFZSA-N	1	1	421.505	1.664	20	0		HDADMO
CCN(C)c1cc[nH+]c(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)n1	ZINC001164919481	721822470	/nfs/dbraw/zinc/82/24/70/721822470.db2.gz	RRZHEVJBXLIGFA-FQEVSTJZSA-N	1	1	418.567	1.805	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(N)(=O)=O)ccn3)C[C@@H]21	ZINC001165024106	721827699	/nfs/dbraw/zinc/82/76/99/721827699.db2.gz	JSWWILXJIMBASI-AYOQOUSVSA-N	1	1	401.536	1.861	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1	ZINC001164925769	721852997	/nfs/dbraw/zinc/85/29/97/721852997.db2.gz	FYUXFCJCURCQLU-SJORKVTESA-N	1	1	402.568	1.743	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1	ZINC001164925769	721852998	/nfs/dbraw/zinc/85/29/98/721852998.db2.gz	FYUXFCJCURCQLU-SJORKVTESA-N	1	1	402.568	1.743	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)CC1	ZINC001164922699	721869823	/nfs/dbraw/zinc/86/98/23/721869823.db2.gz	HSZLBBJQXMMAOV-QZTJIDSGSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)CC1	ZINC001164922699	721869824	/nfs/dbraw/zinc/86/98/24/721869824.db2.gz	HSZLBBJQXMMAOV-QZTJIDSGSA-N	1	1	402.543	1.081	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1	ZINC001164931489	721881247	/nfs/dbraw/zinc/88/12/47/721881247.db2.gz	FTPNYRHPYKNDOL-IAGOWNOFSA-N	1	1	400.527	1.127	20	0		HDADMO
C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1	ZINC001164931489	721881250	/nfs/dbraw/zinc/88/12/50/721881250.db2.gz	FTPNYRHPYKNDOL-IAGOWNOFSA-N	1	1	400.527	1.127	20	0		HDADMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(S(N)(=O)=O)ccn4)CC3)C2)cc1	ZINC001164940058	721931810	/nfs/dbraw/zinc/93/18/10/721931810.db2.gz	PYKYOKITWHOSIH-UHFFFAOYSA-N	1	1	416.547	1.909	20	0		HDADMO
CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)C1	ZINC001164953310	722010972	/nfs/dbraw/zinc/01/09/72/722010972.db2.gz	DXLSNXKZLPDJSM-VGOFRKELSA-N	1	1	417.554	1.954	20	0		HDADMO
CN1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)nn2)CC1	ZINC001164959490	722051045	/nfs/dbraw/zinc/05/10/45/722051045.db2.gz	LFEALLFUXFABJH-JBYIUTFZSA-N	1	1	409.538	1.529	20	0		HDADMO
NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164984377	722103308	/nfs/dbraw/zinc/10/33/08/722103308.db2.gz	SWZWRTREIVSBGU-QAPCUYQASA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1OC	ZINC001164978203	722103725	/nfs/dbraw/zinc/10/37/25/722103725.db2.gz	GDNZEGXEKQASLC-YLJYHZDGSA-N	1	1	412.490	1.999	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1OC	ZINC001164973162	722158392	/nfs/dbraw/zinc/15/83/92/722158392.db2.gz	LMCKNPMZAFWZPJ-SJORKVTESA-N	1	1	413.478	1.394	20	0		HDADMO
Cc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1NCC1CC1	ZINC001164997685	722228759	/nfs/dbraw/zinc/22/87/59/722228759.db2.gz	SMBPBFIPPYTLIX-UHFFFAOYSA-N	1	1	408.554	1.754	20	0		HDADMO
COC(=O)c1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc1OC	ZINC001164998138	722229997	/nfs/dbraw/zinc/22/99/97/722229997.db2.gz	YKECJZQFMBSDJU-UHFFFAOYSA-N	1	1	412.494	1.024	20	0		HDADMO
COC(=O)c1cc(F)c(C)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996619	722234035	/nfs/dbraw/zinc/23/40/35/722234035.db2.gz	HEMSFQBVMHORAS-UHFFFAOYSA-N	1	1	414.485	1.463	20	0		HDADMO
COc1nnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c2ccccc21	ZINC001165001247	722236907	/nfs/dbraw/zinc/23/69/07/722236907.db2.gz	FULFBWVNAVSKMQ-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
C=Cc1nc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1OC	ZINC001165001901	722237065	/nfs/dbraw/zinc/23/70/65/722237065.db2.gz	OQBIOBYDYVPTTE-UHFFFAOYSA-N	1	1	415.929	1.929	20	0		HDADMO
CC1CCN(c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)CC1	ZINC001165002195	722237459	/nfs/dbraw/zinc/23/74/59/722237459.db2.gz	QTWWPIRLHHPJEG-UHFFFAOYSA-N	1	1	422.581	1.860	20	0		HDADMO
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429043765	1073458257	/nfs/dbraw/zinc/45/82/57/1073458257.db2.gz	BLXFNBIILUDXFD-SZMVWBNQSA-N	1	1	413.609	1.684	20	0		HDADMO
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429043765	1073458262	/nfs/dbraw/zinc/45/82/62/1073458262.db2.gz	BLXFNBIILUDXFD-SZMVWBNQSA-N	1	1	413.609	1.684	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000673639498	1073468364	/nfs/dbraw/zinc/46/83/64/1073468364.db2.gz	DTGCMGVTMQLQJR-LJQANCHMSA-N	1	1	402.520	1.613	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000673639498	1073468373	/nfs/dbraw/zinc/46/83/73/1073468373.db2.gz	DTGCMGVTMQLQJR-LJQANCHMSA-N	1	1	402.520	1.613	20	0		HDADMO
Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000625097553	1073487108	/nfs/dbraw/zinc/48/71/08/1073487108.db2.gz	NHNGTWJXDSEMHR-SFHVURJKSA-N	1	1	411.506	1.808	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1	ZINC000429062641	1073497237	/nfs/dbraw/zinc/49/72/37/1073497237.db2.gz	UXXSEGPIDNYFSB-HKUYNNGSSA-N	1	1	409.552	1.732	20	0		HDADMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	ZINC001299281765	1073503780	/nfs/dbraw/zinc/50/37/80/1073503780.db2.gz	SBEZBTOMVSYULC-CQSZACIVSA-N	1	1	404.536	1.252	20	0		HDADMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	ZINC001299281765	1073503789	/nfs/dbraw/zinc/50/37/89/1073503789.db2.gz	SBEZBTOMVSYULC-CQSZACIVSA-N	1	1	404.536	1.252	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)C1	ZINC000671399480	1073506258	/nfs/dbraw/zinc/50/62/58/1073506258.db2.gz	TVGPOXLYMPXFPA-OAQYLSRUSA-N	1	1	413.566	1.010	20	0		HDADMO
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC001299281973	1073515048	/nfs/dbraw/zinc/51/50/48/1073515048.db2.gz	VOUAQTDANVEDQV-SJLPKXTDSA-N	1	1	412.575	1.983	20	0		HDADMO
COc1ccnc(OC)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001004677846	1073524359	/nfs/dbraw/zinc/52/43/59/1073524359.db2.gz	AELPHDUJUMZYNB-QCODTGAPSA-N	1	1	402.495	1.301	20	0		HDADMO
CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1	ZINC000625163169	1073527050	/nfs/dbraw/zinc/52/70/50/1073527050.db2.gz	GIBRBVNRFMEORZ-UHFFFAOYSA-N	1	1	410.584	1.226	20	0		HDADMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1	ZINC000671406960	1073533058	/nfs/dbraw/zinc/53/30/58/1073533058.db2.gz	RLQVDODFXZGBAX-SJLPKXTDSA-N	1	1	406.571	1.520	20	0		HDADMO
CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000625179196	1073546676	/nfs/dbraw/zinc/54/66/76/1073546676.db2.gz	MGVFNEHXFJHBCE-HXUWFJFHSA-N	1	1	407.580	1.863	20	0		HDADMO
COc1ccc(C(=O)NCCCC(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000625182796	1073550868	/nfs/dbraw/zinc/55/08/68/1073550868.db2.gz	LKDSRJNFACPHMN-HXUWFJFHSA-N	1	1	403.523	1.919	20	0		HDADMO
C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)no1	ZINC001004721784	1073571800	/nfs/dbraw/zinc/57/18/00/1073571800.db2.gz	NZAGKZWBKYODHM-UZBAKIRXSA-N	1	1	400.479	1.021	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1	ZINC000673657317	1073597042	/nfs/dbraw/zinc/59/70/42/1073597042.db2.gz	XJGPLHFHJJBBPB-HNAYVOBHSA-N	1	1	402.520	1.832	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1	ZINC000673657317	1073597049	/nfs/dbraw/zinc/59/70/49/1073597049.db2.gz	XJGPLHFHJJBBPB-HNAYVOBHSA-N	1	1	402.520	1.832	20	0		HDADMO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)c1	ZINC000673661575	1073615512	/nfs/dbraw/zinc/61/55/12/1073615512.db2.gz	INFFSGPLSRTXRW-VXKWHMMOSA-N	1	1	400.567	1.565	20	0		HDADMO
Cc1noc(C(F)F)c1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000673661082	1073616443	/nfs/dbraw/zinc/61/64/43/1073616443.db2.gz	AGIBPPCGDIXNGH-UHFFFAOYSA-N	1	1	413.469	1.231	20	0		HDADMO
NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000673668357	1073620893	/nfs/dbraw/zinc/62/08/93/1073620893.db2.gz	LGTYSPBLQPTEFY-JPYJTQIMSA-N	1	1	408.502	1.117	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1	ZINC000673670089	1073624806	/nfs/dbraw/zinc/62/48/06/1073624806.db2.gz	ZFPFRFBDFFBYCO-HKUYNNGSSA-N	1	1	405.587	1.635	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1	ZINC000673670089	1073624812	/nfs/dbraw/zinc/62/48/12/1073624812.db2.gz	ZFPFRFBDFFBYCO-HKUYNNGSSA-N	1	1	405.587	1.635	20	0		HDADMO
CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673670021	1073625467	/nfs/dbraw/zinc/62/54/67/1073625467.db2.gz	OIMLDRLBUPUULR-DHIUTWEWSA-N	1	1	414.594	1.904	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000673673690	1073629924	/nfs/dbraw/zinc/62/99/24/1073629924.db2.gz	UGEMIDRMJXKRQN-QGZVFWFLSA-N	1	1	414.554	1.462	20	0		HDADMO
NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000673673745	1073630031	/nfs/dbraw/zinc/63/00/31/1073630031.db2.gz	VYGIRWKXRNVVHA-XMMPIXPASA-N	1	1	407.514	1.669	20	0		HDADMO
O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673679324	1073633023	/nfs/dbraw/zinc/63/30/23/1073633023.db2.gz	YBJVXUOBXLYXES-FPOVZHCZSA-N	1	1	408.502	1.842	20	0		HDADMO
O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673679324	1073633026	/nfs/dbraw/zinc/63/30/26/1073633026.db2.gz	YBJVXUOBXLYXES-FPOVZHCZSA-N	1	1	408.502	1.842	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673700898	1073643940	/nfs/dbraw/zinc/64/39/40/1073643940.db2.gz	XESYACYFZOSMSV-VQTJNVASSA-N	1	1	400.523	1.237	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	ZINC000673753720	1073688986	/nfs/dbraw/zinc/68/89/86/1073688986.db2.gz	QEJGEOJUGCRYKH-MRXNPFEDSA-N	1	1	421.501	1.369	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)NCCC3CCS(=O)(=O)CC3)CC2)nc(C)[nH+]1	ZINC000509136951	1073701763	/nfs/dbraw/zinc/70/17/63/1073701763.db2.gz	JTQLFLVKHVNFNU-UHFFFAOYSA-N	1	1	409.556	1.576	20	0		HDADMO
Cc1cccn2cc(CCNC(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)nc12	ZINC000673772935	1073706292	/nfs/dbraw/zinc/70/62/92/1073706292.db2.gz	LIYWDQNGLULINN-SFHVURJKSA-N	1	1	400.527	1.427	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CCN(C)CC1	ZINC000673769736	1073713064	/nfs/dbraw/zinc/71/30/64/1073713064.db2.gz	UYRFVYDQRRFZSI-IBGZPJMESA-N	1	1	401.555	1.457	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@@H]1O	ZINC000509143466	1073716490	/nfs/dbraw/zinc/71/64/90/1073716490.db2.gz	ZGRHSGVRHCKDLQ-UZLBHIALSA-N	1	1	417.531	1.758	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@@H]1O	ZINC000509143466	1073716501	/nfs/dbraw/zinc/71/65/01/1073716501.db2.gz	ZGRHSGVRHCKDLQ-UZLBHIALSA-N	1	1	417.531	1.758	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1	ZINC000509144233	1073723106	/nfs/dbraw/zinc/72/31/06/1073723106.db2.gz	NZUYKLXBIAVSMH-LEWJYISDSA-N	1	1	416.566	1.245	20	0		HDADMO
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCCCCn2cncn2)CCO1	ZINC001108089886	1073766186	/nfs/dbraw/zinc/76/61/86/1073766186.db2.gz	PLFHNKHXGQEEIU-FBGLYXIBSA-N	1	1	403.527	1.079	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000429144888	1073775230	/nfs/dbraw/zinc/77/52/30/1073775230.db2.gz	UKBABUBOZLUDBG-SFHVURJKSA-N	1	1	405.543	1.791	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2cnc3c(cnn3C)c2)cc1	ZINC000673826518	1073779796	/nfs/dbraw/zinc/77/97/96/1073779796.db2.gz	KTEXVLYWQOQVIV-UHFFFAOYSA-N	1	1	421.505	1.431	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC(N)=O)cc1	ZINC000429148568	1073781887	/nfs/dbraw/zinc/78/18/87/1073781887.db2.gz	CWGOEJYXTWZWIS-QFIPXVFZSA-N	1	1	412.490	1.651	20	0		HDADMO
CN(C)C(=O)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1	ZINC000015501296	1073782865	/nfs/dbraw/zinc/78/28/65/1073782865.db2.gz	PJHYKHAXUAYLQI-HXUWFJFHSA-N	1	1	417.531	1.627	20	0		HDADMO
CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000673831169	1073789539	/nfs/dbraw/zinc/78/95/39/1073789539.db2.gz	QHVKARUNYXKSBT-GOSISDBHSA-N	1	1	412.531	1.131	20	0		HDADMO
CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000673831169	1073789542	/nfs/dbraw/zinc/78/95/42/1073789542.db2.gz	QHVKARUNYXKSBT-GOSISDBHSA-N	1	1	412.531	1.131	20	0		HDADMO
CCOC(=O)[C@@H](NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1	ZINC000543489023	1073802000	/nfs/dbraw/zinc/80/20/00/1073802000.db2.gz	LHOGADQZBBBKTD-FPOVZHCZSA-N	1	1	403.523	1.279	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673835086	1073809395	/nfs/dbraw/zinc/80/93/95/1073809395.db2.gz	YFMSPJFYZZJVJI-LJQANCHMSA-N	1	1	408.506	1.401	20	0		HDADMO
CN(C)c1nc(CNC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cs1	ZINC000673849127	1073815889	/nfs/dbraw/zinc/81/58/89/1073815889.db2.gz	GCMBGLQZHQCLQF-UHFFFAOYSA-N	1	1	416.551	1.596	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCCN3c3ncccn3)c2)CC1	ZINC000673845156	1073820693	/nfs/dbraw/zinc/82/06/93/1073820693.db2.gz	VVLRCMCQIPTHRE-IBGZPJMESA-N	1	1	408.506	1.401	20	0		HDADMO
COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)c(OC)c1OC	ZINC000673846474	1073821218	/nfs/dbraw/zinc/82/12/18/1073821218.db2.gz	PLAIVUCCDOFVPB-MRXNPFEDSA-N	1	1	405.495	1.481	20	0		HDADMO
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1	ZINC000673863581	1073830522	/nfs/dbraw/zinc/83/05/22/1073830522.db2.gz	SFXSFBXJXOCIIY-UHFFFAOYSA-N	1	1	407.478	1.880	20	0		HDADMO
COc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1OC	ZINC000673876684	1073843113	/nfs/dbraw/zinc/84/31/13/1073843113.db2.gz	SMSXVHZKUXRIIO-HNNXBMFYSA-N	1	1	420.510	1.274	20	0		HDADMO
O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000673876603	1073843700	/nfs/dbraw/zinc/84/37/00/1073843700.db2.gz	HDDIZQPGKXQYIG-HKUYNNGSSA-N	1	1	410.509	1.898	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(F)c(F)cc3Cl)CC2)C1	ZINC000673886061	1073857568	/nfs/dbraw/zinc/85/75/68/1073857568.db2.gz	APDRBDHLDSDEPW-GFCCVEGCSA-N	1	1	400.857	1.795	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1	ZINC000673911823	1073883699	/nfs/dbraw/zinc/88/36/99/1073883699.db2.gz	GBMWIOCZQMPBNA-JXFKEZNVSA-N	1	1	416.522	1.935	20	0		HDADMO
COc1ccccc1C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C	ZINC000673912491	1073885166	/nfs/dbraw/zinc/88/51/66/1073885166.db2.gz	JOEKYEMXSADAON-SFTDATJTSA-N	1	1	418.582	1.968	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2=O)c1	ZINC000673914917	1073886508	/nfs/dbraw/zinc/88/65/08/1073886508.db2.gz	GXTXTSDMYXWIQE-UWJYYQICSA-N	1	1	402.539	1.521	20	0		HDADMO
COCCNC(=O)C1CC[NH+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1	ZINC000673915009	1073887262	/nfs/dbraw/zinc/88/72/62/1073887262.db2.gz	LLGHTFMKTIBXFV-IBGZPJMESA-N	1	1	405.495	1.284	20	0		HDADMO
CC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(C)noc1C	ZINC000543507714	1073917698	/nfs/dbraw/zinc/91/76/98/1073917698.db2.gz	IWNMRYILXKJYOL-GOSISDBHSA-N	1	1	420.535	1.865	20	0		HDADMO
COC[C@@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1	ZINC000466561740	1073925725	/nfs/dbraw/zinc/92/57/25/1073925725.db2.gz	HCPYWHMTKSZJSJ-LJQANCHMSA-N	1	1	406.502	1.709	20	0		HDADMO
C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000670432459	1073927142	/nfs/dbraw/zinc/92/71/42/1073927142.db2.gz	SLJWQYKKXPFXND-SXLOBPIMSA-N	1	1	403.523	1.013	20	0		HDADMO
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000030523618	1073936216	/nfs/dbraw/zinc/93/62/16/1073936216.db2.gz	ZJOOEMXOXNMECU-FQEVSTJZSA-N	1	1	401.532	1.908	20	0		HDADMO
C[C@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@H]1OCCc2sccc21	ZINC000429176604	1073951518	/nfs/dbraw/zinc/95/15/18/1073951518.db2.gz	YDTZOQYFIPLFDO-KPZWWZAWSA-N	1	1	419.532	1.919	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC(=O)OCc2ccccc2)CC1=O	ZINC000766044901	1073971689	/nfs/dbraw/zinc/97/16/89/1073971689.db2.gz	NSNKYIYZEAVGLJ-OALUTQOASA-N	1	1	401.507	1.569	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1	ZINC000466573877	1073979759	/nfs/dbraw/zinc/97/97/59/1073979759.db2.gz	OJPIJPSNNSSZTL-TXPKVOOTSA-N	1	1	403.527	1.509	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1	ZINC000466573875	1073979905	/nfs/dbraw/zinc/97/99/05/1073979905.db2.gz	OJPIJPSNNSSZTL-GPMSIDNRSA-N	1	1	403.527	1.509	20	0		HDADMO
CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000058255476	1073988303	/nfs/dbraw/zinc/98/83/03/1073988303.db2.gz	VSZVLGXRCPMAOJ-IBGZPJMESA-N	1	1	423.579	1.841	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O	ZINC000466574819	1073993119	/nfs/dbraw/zinc/99/31/19/1073993119.db2.gz	QFVBPEJCZOJUTJ-RLLQIKCJSA-N	1	1	401.555	1.931	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1	ZINC000509190008	1074004430	/nfs/dbraw/zinc/00/44/30/1074004430.db2.gz	KTSBTAZSQUPPLN-LSDHHAIUSA-N	1	1	415.581	1.621	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1	ZINC000509190008	1074004439	/nfs/dbraw/zinc/00/44/39/1074004439.db2.gz	KTSBTAZSQUPPLN-LSDHHAIUSA-N	1	1	415.581	1.621	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1	ZINC000509189618	1074004883	/nfs/dbraw/zinc/00/48/83/1074004883.db2.gz	GELCKTJITVXPDU-KSSFIOAISA-N	1	1	415.581	1.478	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cccc(CS(=O)(=O)c2ccccc2)c1	ZINC000670446810	1074007292	/nfs/dbraw/zinc/00/72/92/1074007292.db2.gz	SFMFJIWMMYNLGE-FQEVSTJZSA-N	1	1	413.543	1.780	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cccc(CS(=O)(=O)c2ccccc2)c1	ZINC000670446811	1074007390	/nfs/dbraw/zinc/00/73/90/1074007390.db2.gz	SFMFJIWMMYNLGE-HXUWFJFHSA-N	1	1	413.543	1.780	20	0		HDADMO
COCCOc1ccc(Cl)cc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000673989977	1074011819	/nfs/dbraw/zinc/01/18/19/1074011819.db2.gz	YLFRUANZZBRVCW-QGZVFWFLSA-N	1	1	409.914	1.920	20	0		HDADMO
CC(C)C[C@@H]1C[C@@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1	ZINC000509192038	1074025186	/nfs/dbraw/zinc/02/51/86/1074025186.db2.gz	OVQXUTIEJAYRCJ-UYAOXDASSA-N	1	1	414.550	1.883	20	0		HDADMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1	ZINC000543536478	1074038048	/nfs/dbraw/zinc/03/80/48/1074038048.db2.gz	ODPOVZFEKUBDEM-OAHLLOKOSA-N	1	1	422.551	1.184	20	0		HDADMO
O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000429196408	1074051817	/nfs/dbraw/zinc/05/18/17/1074051817.db2.gz	GHFVNIPEMLVYBW-TZIWHRDSSA-N	1	1	424.549	1.628	20	0		HDADMO
O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000557927233	1074058870	/nfs/dbraw/zinc/05/88/70/1074058870.db2.gz	UCQRIIVSLMOTKQ-JYJNAYRXSA-N	1	1	408.465	1.192	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1	ZINC000674013273	1074063939	/nfs/dbraw/zinc/06/39/39/1074063939.db2.gz	CQVJAVBPVGRPKL-GOSISDBHSA-N	1	1	408.506	1.903	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC[N@@H+]1CCO	ZINC000429199824	1074074259	/nfs/dbraw/zinc/07/42/59/1074074259.db2.gz	CJEZTRLGOOGZJI-MRXNPFEDSA-N	1	1	410.540	1.392	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC[N@H+]1CCO	ZINC000429199824	1074074266	/nfs/dbraw/zinc/07/42/66/1074074266.db2.gz	CJEZTRLGOOGZJI-MRXNPFEDSA-N	1	1	410.540	1.392	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)NC1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2	ZINC000466606805	1074076743	/nfs/dbraw/zinc/07/67/43/1074076743.db2.gz	BIYBILPHSUSJNR-MRXNPFEDSA-N	1	1	414.514	1.114	20	0		HDADMO
C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000509202538	1074087817	/nfs/dbraw/zinc/08/78/17/1074087817.db2.gz	KFALDUFHVFMHAO-FZMZJTMJSA-N	1	1	409.449	1.890	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C[C@H]1C	ZINC000543556574	1074096088	/nfs/dbraw/zinc/09/60/88/1074096088.db2.gz	FSQAXMPAKAKGFZ-CVEARBPZSA-N	1	1	416.522	1.492	20	0		HDADMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000543559168	1074102235	/nfs/dbraw/zinc/10/22/35/1074102235.db2.gz	NDTNTWCZFLIJAK-UHFFFAOYSA-N	1	1	419.507	1.001	20	0		HDADMO
O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000674038857	1074109683	/nfs/dbraw/zinc/10/96/83/1074109683.db2.gz	FAXJBWOWTYIOLP-MRXNPFEDSA-N	1	1	402.886	1.519	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC1CCS(=O)(=O)CC1	ZINC000509208157	1074111962	/nfs/dbraw/zinc/11/19/62/1074111962.db2.gz	DHMNWUWCXDGZQG-KRWDZBQOSA-N	1	1	423.583	1.106	20	0		HDADMO
O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000429207284	1074117399	/nfs/dbraw/zinc/11/73/99/1074117399.db2.gz	WYOWUNJPNNFGAN-PZJWPPBQSA-N	1	1	424.549	1.628	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1	ZINC000429209821	1074123724	/nfs/dbraw/zinc/12/37/24/1074123724.db2.gz	VVSHNOGDHFDCDF-GOSISDBHSA-N	1	1	415.538	1.273	20	0		HDADMO
Cc1c(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cccc1S(=O)(=O)N(C)C	ZINC001299293926	1074146509	/nfs/dbraw/zinc/14/65/09/1074146509.db2.gz	YERLJZPHJLJKSD-UHFFFAOYSA-N	1	1	417.535	1.644	20	0		HDADMO
CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1	ZINC000674055540	1074149795	/nfs/dbraw/zinc/14/97/95/1074149795.db2.gz	DMRYZDCPMONAJH-GOEBONIOSA-N	1	1	409.556	1.974	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1	ZINC000509214846	1074149806	/nfs/dbraw/zinc/14/98/06/1074149806.db2.gz	AWJGFZWHMHOPKB-GOSISDBHSA-N	1	1	416.570	1.400	20	0		HDADMO
O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccnc(O[C@@H]2CCOC2)c1	ZINC000543579817	1074165950	/nfs/dbraw/zinc/16/59/50/1074165950.db2.gz	QKSZUAWBUSFGPQ-PWRODBHTSA-N	1	1	411.502	1.862	20	0		HDADMO
CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)C1	ZINC000543580925	1074169717	/nfs/dbraw/zinc/16/97/17/1074169717.db2.gz	VRUJEEHKSKKEIN-IRXDYDNUSA-N	1	1	410.584	1.907	20	0		HDADMO
CN1CCn2nc(C(=O)NC[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2S1(=O)=O	ZINC001128604739	1074182778	/nfs/dbraw/zinc/18/27/78/1074182778.db2.gz	IGEULIUAIOLQRR-FQEVSTJZSA-N	1	1	417.535	1.159	20	0		HDADMO
COCC(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000674168819	1074201149	/nfs/dbraw/zinc/20/11/49/1074201149.db2.gz	NRVOQAKJEQGMEX-PXNSSMCTSA-N	1	1	402.539	1.834	20	0		HDADMO
C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000674176568	1074202405	/nfs/dbraw/zinc/20/24/05/1074202405.db2.gz	WBMWQPYUJNVEOY-LMMKCTJWSA-N	1	1	408.568	1.572	20	0		HDADMO
C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000674176568	1074202407	/nfs/dbraw/zinc/20/24/07/1074202407.db2.gz	WBMWQPYUJNVEOY-LMMKCTJWSA-N	1	1	408.568	1.572	20	0		HDADMO
CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1	ZINC000674193199	1074208444	/nfs/dbraw/zinc/20/84/44/1074208444.db2.gz	SISVWPXHUBQNAC-KRWDZBQOSA-N	1	1	408.524	1.377	20	0		HDADMO
CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000674194625	1074209305	/nfs/dbraw/zinc/20/93/05/1074209305.db2.gz	OKZZRUPEMOGLGP-INIZCTEOSA-N	1	1	407.946	1.583	20	0		HDADMO
O=C(CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429223164	1074214124	/nfs/dbraw/zinc/21/41/24/1074214124.db2.gz	QILWSJXNMFSLAP-XJKSGUPXSA-N	1	1	412.494	1.858	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000674226312	1074234375	/nfs/dbraw/zinc/23/43/75/1074234375.db2.gz	PPJDMRDVXLILGC-QAPCUYQASA-N	1	1	422.485	1.983	20	0		HDADMO
O=C(Nc1cccnc1Oc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000674229382	1074235991	/nfs/dbraw/zinc/23/59/91/1074235991.db2.gz	KKGWWOPXXPADQC-KRWDZBQOSA-N	1	1	410.474	1.993	20	0		HDADMO
CC(C)CN(C(=O)CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000674250699	1074243376	/nfs/dbraw/zinc/24/33/76/1074243376.db2.gz	FTCFCGVQEAAGLM-SFTDATJTSA-N	1	1	421.607	1.864	20	0		HDADMO
CC(C)CN(C(=O)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000674250699	1074243383	/nfs/dbraw/zinc/24/33/83/1074243383.db2.gz	FTCFCGVQEAAGLM-SFTDATJTSA-N	1	1	421.607	1.864	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000674268493	1074249261	/nfs/dbraw/zinc/24/92/61/1074249261.db2.gz	RBPQPMHVFOFSPY-UHFFFAOYSA-N	1	1	400.504	1.891	20	0		HDADMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1	ZINC000674291824	1074257105	/nfs/dbraw/zinc/25/71/05/1074257105.db2.gz	FSTHZFZSYHKIMK-MRXNPFEDSA-N	1	1	421.519	1.551	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000674294634	1074258070	/nfs/dbraw/zinc/25/80/70/1074258070.db2.gz	HQICCZBPTGMZOP-GOSISDBHSA-N	1	1	423.508	1.203	20	0		HDADMO
COc1ccc([C@H](CNC(=O)NCC[NH+]2CCC(OC)CC2)N(C)C)cc1OC	ZINC000674325849	1074275448	/nfs/dbraw/zinc/27/54/48/1074275448.db2.gz	KRXHFYXQLPTGJA-SFHVURJKSA-N	1	1	408.543	1.717	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccc3[nH]c(=O)oc3c2)CC1	ZINC000674320771	1074282960	/nfs/dbraw/zinc/28/29/60/1074282960.db2.gz	MYPIUQZRWCDQRT-UHFFFAOYSA-N	1	1	416.478	1.224	20	0		HDADMO
CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C	ZINC001273133714	1074307015	/nfs/dbraw/zinc/30/70/15/1074307015.db2.gz	NNOURARPSCQJPB-IRXDYDNUSA-N	1	1	411.568	1.997	20	0		HDADMO
O=C(NCC1(CO)CCCCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000674485564	1074390386	/nfs/dbraw/zinc/39/03/86/1074390386.db2.gz	XIMDIEOLSPNHRY-UHFFFAOYSA-N	1	1	403.523	1.559	20	0		HDADMO
Cn1c2ncn(CC[N@@H+]3C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2c(=O)n(C)c1=O	ZINC000674497439	1074408733	/nfs/dbraw/zinc/40/87/33/1074408733.db2.gz	RMAZUIYUTYKCOD-DTORHVGOSA-N	1	1	413.322	1.106	20	0		HDADMO
Cn1c2ncn(CC[N@H+]3C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2c(=O)n(C)c1=O	ZINC000674497439	1074408742	/nfs/dbraw/zinc/40/87/42/1074408742.db2.gz	RMAZUIYUTYKCOD-DTORHVGOSA-N	1	1	413.322	1.106	20	0		HDADMO
C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674514131	1074411260	/nfs/dbraw/zinc/41/12/60/1074411260.db2.gz	DIKGYCVTFHDYSV-WMZOPIPTSA-N	1	1	409.552	1.364	20	0		HDADMO
COc1cc2cc(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[nH]c2cc1OC	ZINC001626100948	1074416441	/nfs/dbraw/zinc/41/64/41/1074416441.db2.gz	LAEUQZQOLDTONV-UHFFFAOYSA-N	1	1	403.479	1.796	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O	ZINC000674583195	1074448555	/nfs/dbraw/zinc/44/85/55/1074448555.db2.gz	JPLKPXQSAWFEET-JLHGSKIFSA-N	1	1	416.497	1.874	20	0		HDADMO
CS(=O)(=O)CC1CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000429234706	1074452050	/nfs/dbraw/zinc/45/20/50/1074452050.db2.gz	ZJQHKSJZFCCBLH-UHFFFAOYSA-N	1	1	411.543	1.621	20	0		HDADMO
CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1F	ZINC000674579640	1074457257	/nfs/dbraw/zinc/45/72/57/1074457257.db2.gz	JGOBQWHGKAIBLR-MRXNPFEDSA-N	1	1	420.485	1.179	20	0		HDADMO
CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1nc(C(F)(F)F)cs1	ZINC000674607887	1074477887	/nfs/dbraw/zinc/47/78/87/1074477887.db2.gz	FKZJVMLTAPJJAI-GARJFASQSA-N	1	1	408.446	1.565	20	0		HDADMO
CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1nc(C(F)(F)F)cs1	ZINC000674607887	1074477893	/nfs/dbraw/zinc/47/78/93/1074477893.db2.gz	FKZJVMLTAPJJAI-GARJFASQSA-N	1	1	408.446	1.565	20	0		HDADMO
CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1	ZINC000674621851	1074482158	/nfs/dbraw/zinc/48/21/58/1074482158.db2.gz	ZEOHEFKXCHXKGT-UXHICEINSA-N	1	1	402.539	1.835	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1=O	ZINC000674616487	1074486372	/nfs/dbraw/zinc/48/63/72/1074486372.db2.gz	SFLYTFJDXSMRRM-RISOHXOYSA-N	1	1	421.929	1.962	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1=O	ZINC000674616484	1074486399	/nfs/dbraw/zinc/48/63/99/1074486399.db2.gz	SFLYTFJDXSMRRM-OWZDWXTDSA-N	1	1	421.929	1.962	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)N[C@@H](C)C[NH+]1CCN(c3ccccc3)CC1)CC2	ZINC000674635409	1074489833	/nfs/dbraw/zinc/48/98/33/1074489833.db2.gz	VKPUMWTXXQKUMS-SFHVURJKSA-N	1	1	424.549	1.542	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)N[C@H](C)C[NH+]1CCN(c3ccccc3)CC1)CC2	ZINC000674635408	1074489873	/nfs/dbraw/zinc/48/98/73/1074489873.db2.gz	VKPUMWTXXQKUMS-GOSISDBHSA-N	1	1	424.549	1.542	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC(Cc2ccccc2Cl)C1	ZINC000674631534	1074494458	/nfs/dbraw/zinc/49/44/58/1074494458.db2.gz	QONNBUNCAZQYFN-LJQANCHMSA-N	1	1	406.958	1.930	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1	ZINC000674644365	1074502032	/nfs/dbraw/zinc/50/20/32/1074502032.db2.gz	UAJHPSOLOBZUOD-UWJYYQICSA-N	1	1	407.559	1.860	20	0		HDADMO
O=S(=O)(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc2c1OCO2	ZINC000509232977	1074502588	/nfs/dbraw/zinc/50/25/88/1074502588.db2.gz	JWWKLAAIYDMCGT-KRWDZBQOSA-N	1	1	404.488	1.985	20	0		HDADMO
O=S(=O)(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc2c1OCO2	ZINC000509232977	1074502594	/nfs/dbraw/zinc/50/25/94/1074502594.db2.gz	JWWKLAAIYDMCGT-KRWDZBQOSA-N	1	1	404.488	1.985	20	0		HDADMO
CO[C@@H]1C[C@H](NC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1(C)C	ZINC000674678925	1074520781	/nfs/dbraw/zinc/52/07/81/1074520781.db2.gz	JYOYWDYJQPZKJI-RBUKOAKNSA-N	1	1	417.554	1.832	20	0		HDADMO
Cc1noc(C2CCC(NC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)n1	ZINC000674672914	1074525138	/nfs/dbraw/zinc/52/51/38/1074525138.db2.gz	ADXLXMBGQHAVSZ-ABHNRTSZSA-N	1	1	406.531	1.110	20	0		HDADMO
Cc1noc(C2CCC(NC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)n1	ZINC000674672917	1074525181	/nfs/dbraw/zinc/52/51/81/1074525181.db2.gz	ADXLXMBGQHAVSZ-DAWZGUTISA-N	1	1	406.531	1.110	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN(Cc1ccccc1)Cc1ccccc1	ZINC000674694584	1074526441	/nfs/dbraw/zinc/52/64/41/1074526441.db2.gz	FJNJYMZOMKRJQD-UHFFFAOYSA-N	1	1	408.546	1.921	20	0		HDADMO
CC(C)([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1	ZINC000674753618	1074547984	/nfs/dbraw/zinc/54/79/84/1074547984.db2.gz	DDYCUOLJJSTIKR-GOSISDBHSA-N	1	1	421.563	1.952	20	0		HDADMO
C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000670482923	1074550428	/nfs/dbraw/zinc/55/04/28/1074550428.db2.gz	RQTZIPNCMYGVEL-WIYYLYMNSA-N	1	1	400.567	1.751	20	0		HDADMO
C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000670482923	1074550435	/nfs/dbraw/zinc/55/04/35/1074550435.db2.gz	RQTZIPNCMYGVEL-WIYYLYMNSA-N	1	1	400.567	1.751	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3c3ncccn3)C2)cc(OC)c1	ZINC000674839024	1074585539	/nfs/dbraw/zinc/58/55/39/1074585539.db2.gz	LOLCYWPJSOVJTF-FXAWDEMLSA-N	1	1	411.506	1.853	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3c3ncccn3)C2)cc(OC)c1	ZINC000674839024	1074585547	/nfs/dbraw/zinc/58/55/47/1074585547.db2.gz	LOLCYWPJSOVJTF-FXAWDEMLSA-N	1	1	411.506	1.853	20	0		HDADMO
CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000674869147	1074596682	/nfs/dbraw/zinc/59/66/82/1074596682.db2.gz	BCEONSJMXAYXMK-KRWDZBQOSA-N	1	1	410.522	1.554	20	0		HDADMO
COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)sc1S(N)(=O)=O	ZINC000674876100	1074599319	/nfs/dbraw/zinc/59/93/19/1074599319.db2.gz	ARUYDKUISQMLFW-UHFFFAOYSA-N	1	1	406.489	1.828	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3)CC2)C1	ZINC000674877378	1074599596	/nfs/dbraw/zinc/59/95/96/1074599596.db2.gz	RBDNZWLZIZJHTC-DLBZAZTESA-N	1	1	407.509	1.965	20	0		HDADMO
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000674892615	1074608551	/nfs/dbraw/zinc/60/85/51/1074608551.db2.gz	LFBMQXCRIMJBLJ-WMLDXEAASA-N	1	1	408.449	1.576	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1	ZINC000674893028	1074610155	/nfs/dbraw/zinc/61/01/55/1074610155.db2.gz	TZBCWUREYDXSSN-CRAIPNDOSA-N	1	1	421.492	1.492	20	0		HDADMO
C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(OCCCO)CC1	ZINC000674912490	1074617305	/nfs/dbraw/zinc/61/73/05/1074617305.db2.gz	FESLCBYHFYZONQ-GFCCVEGCSA-N	1	1	417.428	1.411	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000674927506	1074625599	/nfs/dbraw/zinc/62/55/99/1074625599.db2.gz	KHBLEAHDOYHLKG-HLAWJBBLSA-N	1	1	402.539	1.787	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@H+](CCc2ccccc2)Cc2cccnc2)CC1	ZINC000429309866	1074669551	/nfs/dbraw/zinc/66/95/51/1074669551.db2.gz	SEMBCERDWWZWSA-UHFFFAOYSA-N	1	1	423.561	1.359	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)CC1	ZINC000429309866	1074669558	/nfs/dbraw/zinc/66/95/58/1074669558.db2.gz	SEMBCERDWWZWSA-UHFFFAOYSA-N	1	1	423.561	1.359	20	0		HDADMO
O=C(NC1CCCC1)c1ccc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)nn1	ZINC000468626122	1074706027	/nfs/dbraw/zinc/70/60/27/1074706027.db2.gz	ZSPNXUKXVJHXSK-UHFFFAOYSA-N	1	1	412.513	2.522	20	0		HDADMO
CC(C)(C)N1C[C@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1=O	ZINC000429314327	1074709504	/nfs/dbraw/zinc/70/95/04/1074709504.db2.gz	VWYBKXMOHGIWBC-LJQANCHMSA-N	1	1	417.554	1.715	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](C)[N@@H+]3CCc4sccc4C3)CCN2C1=O	ZINC000675089799	1074712563	/nfs/dbraw/zinc/71/25/63/1074712563.db2.gz	STJWHMAZRVTWSD-DZGCQCFKSA-N	1	1	405.524	1.173	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](C)[N@H+]3CCc4sccc4C3)CCN2C1=O	ZINC000675089799	1074712574	/nfs/dbraw/zinc/71/25/74/1074712574.db2.gz	STJWHMAZRVTWSD-DZGCQCFKSA-N	1	1	405.524	1.173	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nn1[C@H](C)C1CC1	ZINC000544203234	1074714952	/nfs/dbraw/zinc/71/49/52/1074714952.db2.gz	HYKBCKKOHLYBET-MJGOQNOKSA-N	1	1	416.570	1.730	20	0		HDADMO
O=C(NCCCCN1CC[NH+](CCO)CC1)Nc1nnc(/C=C/c2ccco2)s1	ZINC000484094753	1074722500	/nfs/dbraw/zinc/72/25/00/1074722500.db2.gz	GSGJQZNVFMBETO-AATRIKPKSA-N	1	1	420.539	1.813	20	0		HDADMO
CN1CCN(C(=O)c2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccn2)CC1	ZINC000543614432	1074726645	/nfs/dbraw/zinc/72/66/45/1074726645.db2.gz	CINNMNDHDVSKPV-AYHJJNSGSA-N	1	1	400.527	1.606	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@@H](C)O1	ZINC000675127935	1074732714	/nfs/dbraw/zinc/73/27/14/1074732714.db2.gz	MTLRYUXGMNLROC-MTNOOBJLSA-N	1	1	403.523	1.902	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)CCN2C1=O	ZINC000675140075	1074739409	/nfs/dbraw/zinc/73/94/09/1074739409.db2.gz	MYBTVLYDTGEHQB-GOSISDBHSA-N	1	1	415.494	1.062	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCSCC3)CCN2C1=O	ZINC000675140698	1074739466	/nfs/dbraw/zinc/73/94/66/1074739466.db2.gz	JVYDMSGBPOWYNS-QGZVFWFLSA-N	1	1	417.535	1.736	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)CCN2C1=O	ZINC000675140077	1074739482	/nfs/dbraw/zinc/73/94/82/1074739482.db2.gz	MYBTVLYDTGEHQB-SFHVURJKSA-N	1	1	415.494	1.062	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000675147316	1074744436	/nfs/dbraw/zinc/74/44/36/1074744436.db2.gz	RARIGLAKRFWASQ-WBVHZDCISA-N	1	1	403.504	1.492	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@@H]21	ZINC000766096755	1074750376	/nfs/dbraw/zinc/75/03/76/1074750376.db2.gz	HDAJISIPRZWPBB-ZBFHGGJFSA-N	1	1	422.482	1.739	20	0		HDADMO
C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl	ZINC000766096815	1074753985	/nfs/dbraw/zinc/75/39/85/1074753985.db2.gz	IFSJRTVCNLDYDM-KFWWJZLASA-N	1	1	414.959	1.735	20	0		HDADMO
CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000675226686	1074766010	/nfs/dbraw/zinc/76/60/10/1074766010.db2.gz	VMCJEDTWWWXJHI-IBGZPJMESA-N	1	1	400.502	1.706	20	0		HDADMO
CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675226686	1074766020	/nfs/dbraw/zinc/76/60/20/1074766020.db2.gz	VMCJEDTWWWXJHI-IBGZPJMESA-N	1	1	400.502	1.706	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000675240336	1074769782	/nfs/dbraw/zinc/76/97/82/1074769782.db2.gz	GJKMAIBSGZJQKN-LJQANCHMSA-N	1	1	412.542	1.577	20	0		HDADMO
Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1	ZINC000675263854	1074774026	/nfs/dbraw/zinc/77/40/26/1074774026.db2.gz	PTHCYHLSXIHASU-GOSISDBHSA-N	1	1	410.522	1.358	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[C@H](CO)CC3)cc2)CC1	ZINC000675265551	1074776113	/nfs/dbraw/zinc/77/61/13/1074776113.db2.gz	HIKWWHPNUOUIBR-SAABIXHNSA-N	1	1	416.522	1.070	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1	ZINC000675265374	1074776164	/nfs/dbraw/zinc/77/61/64/1074776164.db2.gz	VLNMAARIYODJEU-UHFFFAOYSA-N	1	1	400.520	1.518	20	0		HDADMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000675290926	1074782069	/nfs/dbraw/zinc/78/20/69/1074782069.db2.gz	FWORZXXYAVHROR-RBUKOAKNSA-N	1	1	418.513	1.376	20	0		HDADMO
C[C@@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000675300502	1074792319	/nfs/dbraw/zinc/79/23/19/1074792319.db2.gz	AVSISUXRBUBQOZ-PKOBYXMFSA-N	1	1	418.538	1.962	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1-n1cccn1	ZINC000675310605	1074801408	/nfs/dbraw/zinc/80/14/08/1074801408.db2.gz	WYSDLIQEOGMRFG-OALUTQOASA-N	1	1	412.538	1.639	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@H]21	ZINC000766106917	1074812397	/nfs/dbraw/zinc/81/23/97/1074812397.db2.gz	GASTWDMPHAKOON-NMLBUPMWSA-N	1	1	401.507	1.701	20	0		HDADMO
C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1	ZINC000675363742	1074813836	/nfs/dbraw/zinc/81/38/36/1074813836.db2.gz	PLGLBRNLBSHIFL-NHYWBVRUSA-N	1	1	413.305	1.425	20	0		HDADMO
C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1	ZINC000675363741	1074813960	/nfs/dbraw/zinc/81/39/60/1074813960.db2.gz	PLGLBRNLBSHIFL-IAQYHMDHSA-N	1	1	413.305	1.425	20	0		HDADMO
C[C@H](C[C@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000675366875	1074818635	/nfs/dbraw/zinc/81/86/35/1074818635.db2.gz	DTXZGHSGXNKWCL-IAGOWNOFSA-N	1	1	424.567	1.949	20	0		HDADMO
C[C@H](C[C@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000675366875	1074818637	/nfs/dbraw/zinc/81/86/37/1074818637.db2.gz	DTXZGHSGXNKWCL-IAGOWNOFSA-N	1	1	424.567	1.949	20	0		HDADMO
CCCCCc1nnc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)s1	ZINC000554044097	1075091393	/nfs/dbraw/zinc/09/13/93/1075091393.db2.gz	PPECLHNZXUJGMQ-GOOCMWNKSA-N	1	1	408.572	2.476	20	0		HDADMO
CN1C(=O)c2ccc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2C1=O	ZINC000429341256	1075123864	/nfs/dbraw/zinc/12/38/64/1075123864.db2.gz	ZGMWSGRWCTWQFI-SFHVURJKSA-N	1	1	407.470	1.933	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)C1	ZINC000576071047	1075124655	/nfs/dbraw/zinc/12/46/55/1075124655.db2.gz	KPDSPBJSSOTYSJ-CQSZACIVSA-N	1	1	405.449	2.246	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)n1	ZINC000675405034	1075129568	/nfs/dbraw/zinc/12/95/68/1075129568.db2.gz	XIFFYFJJAKESGI-QGZVFWFLSA-N	1	1	413.522	1.736	20	0		HDADMO
COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c1	ZINC001005658478	1075134575	/nfs/dbraw/zinc/13/45/75/1075134575.db2.gz	IKTATMHGGDGJES-MKRDWBOCSA-N	1	1	401.507	1.584	20	0		HDADMO
COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c1	ZINC001005658478	1075134582	/nfs/dbraw/zinc/13/45/82/1075134582.db2.gz	IKTATMHGGDGJES-MKRDWBOCSA-N	1	1	401.507	1.584	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC000670524952	1075146023	/nfs/dbraw/zinc/14/60/23/1075146023.db2.gz	VOYRHXCGZNMDIV-QRQLOZEOSA-N	1	1	405.495	1.329	20	0		HDADMO
CCN1C[C@H](CN(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)Oc2ccccc21	ZINC000670525636	1075147879	/nfs/dbraw/zinc/14/78/79/1075147879.db2.gz	WQIYRXWEDAOJNI-FUHWJXTLSA-N	1	1	414.506	1.744	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1	ZINC000429346329	1075150910	/nfs/dbraw/zinc/15/09/10/1075150910.db2.gz	BWVUAEGPDCXHQH-KRWDZBQOSA-N	1	1	400.527	1.553	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC[C@@H](OC(F)F)C1	ZINC000670527112	1075151073	/nfs/dbraw/zinc/15/10/73/1075151073.db2.gz	YRTSRPWIIYYJFF-OAHLLOKOSA-N	1	1	403.470	1.368	20	0		HDADMO
Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000543627807	1075151736	/nfs/dbraw/zinc/15/17/36/1075151736.db2.gz	HESLCCGGVMFYEW-LSDHHAIUSA-N	1	1	417.574	1.643	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1	ZINC000670527011	1075154855	/nfs/dbraw/zinc/15/48/55/1075154855.db2.gz	GGUCCBDSKWVISF-QGZVFWFLSA-N	1	1	403.527	1.267	20	0		HDADMO
COCCCn1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1	ZINC000494081424	1075156650	/nfs/dbraw/zinc/15/66/50/1075156650.db2.gz	YTCCFCRJBWZBSS-RTBURBONSA-N	1	1	401.511	1.924	20	0		HDADMO
COC[C@H](O)C(=O)OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000766136244	1075159307	/nfs/dbraw/zinc/15/93/07/1075159307.db2.gz	GOXNXRUDMNJVKQ-FQEVSTJZSA-N	1	1	412.486	1.471	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1	ZINC000675480157	1075170249	/nfs/dbraw/zinc/17/02/49/1075170249.db2.gz	IFMBBTVGBRUFBQ-UHFFFAOYSA-N	1	1	422.595	1.543	20	0		HDADMO
Cn1cc(-c2nn(C)cc2C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1	ZINC000429351879	1075179448	/nfs/dbraw/zinc/17/94/48/1075179448.db2.gz	UTKWEQLUVZHUKQ-IBGZPJMESA-N	1	1	408.506	1.842	20	0		HDADMO
Cc1nc(CC(C)C)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)s1	ZINC000675516412	1075181202	/nfs/dbraw/zinc/18/12/02/1075181202.db2.gz	WUGFBIVZDSLILJ-INIZCTEOSA-N	1	1	407.584	1.827	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC(NC(C)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500795	1075185554	/nfs/dbraw/zinc/18/55/54/1075185554.db2.gz	LTSFRVHNQLNHAO-NHCUHLMSSA-N	1	1	402.539	1.976	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC(NC(C)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500795	1075185557	/nfs/dbraw/zinc/18/55/57/1075185557.db2.gz	LTSFRVHNQLNHAO-NHCUHLMSSA-N	1	1	402.539	1.976	20	0		HDADMO
CC[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500502	1075185563	/nfs/dbraw/zinc/18/55/63/1075185563.db2.gz	VVRJQDDIDKASDI-IPMKNSEASA-N	1	1	409.552	1.206	20	0		HDADMO
CC[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500502	1075185567	/nfs/dbraw/zinc/18/55/67/1075185567.db2.gz	VVRJQDDIDKASDI-IPMKNSEASA-N	1	1	409.552	1.206	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446861405	1075187160	/nfs/dbraw/zinc/18/71/60/1075187160.db2.gz	LGICKNRKONKSKO-INIZCTEOSA-N	1	1	423.439	2.507	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCOc3ccc(C(F)(F)F)cn3)CC2)C1	ZINC000675542708	1075198796	/nfs/dbraw/zinc/19/87/96/1075198796.db2.gz	BSYJNWBYQBBPGA-INIZCTEOSA-N	1	1	415.460	1.901	20	0		HDADMO
Cc1cc(C)cc(-n2ccnc2SCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1	ZINC000675563668	1075204491	/nfs/dbraw/zinc/20/44/91/1075204491.db2.gz	HAGZBIIAWWFWMJ-UHFFFAOYSA-N	1	1	415.563	1.814	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1	ZINC000675547528	1075205890	/nfs/dbraw/zinc/20/58/90/1075205890.db2.gz	VPGSAFIRKHNROH-KVPLUYHFSA-N	1	1	422.595	1.866	20	0		HDADMO
O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000675578767	1075210873	/nfs/dbraw/zinc/21/08/73/1075210873.db2.gz	IAASPGFZXXEMLU-NQIIRXRSSA-N	1	1	424.501	1.487	20	0		HDADMO
O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[N@H+]1Cc1ccccn1	ZINC000675578767	1075210876	/nfs/dbraw/zinc/21/08/76/1075210876.db2.gz	IAASPGFZXXEMLU-NQIIRXRSSA-N	1	1	424.501	1.487	20	0		HDADMO
CC[N@@H+](CCC1CCN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1)CC1CC1	ZINC000540045325	1075212424	/nfs/dbraw/zinc/21/24/24/1075212424.db2.gz	FQUSYHHFLDEGDR-UHFFFAOYSA-N	1	1	405.547	1.732	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C[C@@H](C)O1	ZINC000675585109	1075213992	/nfs/dbraw/zinc/21/39/92/1075213992.db2.gz	CKGVDSQJCSDOBZ-BFYDXBDKSA-N	1	1	407.515	1.005	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000675584681	1075214326	/nfs/dbraw/zinc/21/43/26/1075214326.db2.gz	HUGCCBKCPNEXDN-GOSISDBHSA-N	1	1	419.526	1.152	20	0		HDADMO
COCCn1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)n1	ZINC000446878554	1075214356	/nfs/dbraw/zinc/21/43/56/1075214356.db2.gz	ZTXHVGZQINCGCS-MRXNPFEDSA-N	1	1	403.483	1.943	20	0		HDADMO
COCCn1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)n1	ZINC000446878554	1075214359	/nfs/dbraw/zinc/21/43/59/1075214359.db2.gz	ZTXHVGZQINCGCS-MRXNPFEDSA-N	1	1	403.483	1.943	20	0		HDADMO
COCCn1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)n1	ZINC000446878553	1075214403	/nfs/dbraw/zinc/21/44/03/1075214403.db2.gz	ZTXHVGZQINCGCS-INIZCTEOSA-N	1	1	403.483	1.943	20	0		HDADMO
COCCn1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)n1	ZINC000446878553	1075214405	/nfs/dbraw/zinc/21/44/05/1075214405.db2.gz	ZTXHVGZQINCGCS-INIZCTEOSA-N	1	1	403.483	1.943	20	0		HDADMO
O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000675587188	1075216307	/nfs/dbraw/zinc/21/63/07/1075216307.db2.gz	YCHNHZZWIHPQCZ-AZUAARDMSA-N	1	1	411.506	1.781	20	0		HDADMO
CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1	ZINC000466690896	1075228061	/nfs/dbraw/zinc/22/80/61/1075228061.db2.gz	SCYRQCCODKUOBA-MAUKXSAKSA-N	1	1	424.501	1.773	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccn(CCCOC)n3)CC2)CC1	ZINC000605934390	1075230765	/nfs/dbraw/zinc/23/07/65/1075230765.db2.gz	YZPLGAWJZVIFTL-UHFFFAOYSA-N	1	1	420.558	1.718	20	0		HDADMO
COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1	ZINC000470194099	1075231741	/nfs/dbraw/zinc/23/17/41/1075231741.db2.gz	NEJCUCFJSONICY-INIZCTEOSA-N	1	1	403.504	1.846	20	0		HDADMO
O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N1CC[NH+](C2CCC2)CC1	ZINC000483936406	1075232439	/nfs/dbraw/zinc/23/24/39/1075232439.db2.gz	ZXJJQUHBTWXUGK-UHFFFAOYSA-N	1	1	402.886	1.615	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1	ZINC000509356276	1075233581	/nfs/dbraw/zinc/23/35/81/1075233581.db2.gz	HGJGXVJOXBMZTQ-WMZOPIPTSA-N	1	1	405.543	1.657	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1	ZINC000509356274	1075233657	/nfs/dbraw/zinc/23/36/57/1075233657.db2.gz	HGJGXVJOXBMZTQ-SJLPKXTDSA-N	1	1	405.543	1.657	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C[C@@H]1C	ZINC000443375016	1075236288	/nfs/dbraw/zinc/23/62/88/1075236288.db2.gz	QUUVMNASJZUIJB-WMLDXEAASA-N	1	1	418.929	2.250	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)cc21	ZINC000675598799	1075236840	/nfs/dbraw/zinc/23/68/40/1075236840.db2.gz	SNKDZBBBPNIZGE-INIZCTEOSA-N	1	1	401.511	1.715	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000804220229	1075241906	/nfs/dbraw/zinc/24/19/06/1075241906.db2.gz	QLIMSQJFWRQXBV-MRXNPFEDSA-N	1	1	412.575	1.986	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCN3CCOC[C@H]3C2)[C@H](c2ccccc2)C1	ZINC000543640952	1075242461	/nfs/dbraw/zinc/24/24/61/1075242461.db2.gz	CCOHJFBYBSFVBS-RTWAWAEBSA-N	1	1	401.555	1.091	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCN3CCOC[C@H]3C2)[C@H](c2ccccc2)C1	ZINC000543640952	1075242465	/nfs/dbraw/zinc/24/24/65/1075242465.db2.gz	CCOHJFBYBSFVBS-RTWAWAEBSA-N	1	1	401.555	1.091	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCN3CCOC[C@H]3C2)[C@H](c2ccccc2)C1	ZINC000543640952	1075242469	/nfs/dbraw/zinc/24/24/69/1075242469.db2.gz	CCOHJFBYBSFVBS-RTWAWAEBSA-N	1	1	401.555	1.091	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1	ZINC000426549500	1075244544	/nfs/dbraw/zinc/24/45/44/1075244544.db2.gz	RRKXGMQESMGBHI-OKZBNKHCSA-N	1	1	405.543	2.142	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000675664451	1075251370	/nfs/dbraw/zinc/25/13/70/1075251370.db2.gz	MSIVWAWHJBMFLH-RBUKOAKNSA-N	1	1	409.552	1.152	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000675665649	1075251930	/nfs/dbraw/zinc/25/19/30/1075251930.db2.gz	MWTPVWGXLFUHFX-YLJYHZDGSA-N	1	1	406.571	1.617	20	0		HDADMO
CS(=O)(=O)NC1(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1	ZINC000675709321	1075259269	/nfs/dbraw/zinc/25/92/69/1075259269.db2.gz	ADVIOIDRCSYLKG-DLBZAZTESA-N	1	1	416.588	1.181	20	0		HDADMO
CN1CCN(C(=O)CC[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)CC1	ZINC000429377768	1075267080	/nfs/dbraw/zinc/26/70/80/1075267080.db2.gz	NZAFZNYIVRKBFV-UHFFFAOYSA-N	1	1	408.546	1.988	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)[C@H]1C(C)C	ZINC000429377251	1075267715	/nfs/dbraw/zinc/26/77/15/1075267715.db2.gz	ISMYYAOXDVYMAW-NSHGMRRFSA-N	1	1	402.491	1.632	20	0		HDADMO
C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1CCOCC1	ZINC000675770138	1075268785	/nfs/dbraw/zinc/26/87/85/1075268785.db2.gz	RRMMSEYTAUGKOF-PKOBYXMFSA-N	1	1	408.564	1.997	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)CC1	ZINC000509367427	1075269064	/nfs/dbraw/zinc/26/90/64/1075269064.db2.gz	XATSBGQMHZDAQU-UHFFFAOYSA-N	1	1	423.535	1.370	20	0		HDADMO
NC(=O)C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1	ZINC000544456187	1075269102	/nfs/dbraw/zinc/26/91/02/1075269102.db2.gz	FUNMIQKOGNHHHS-ZFWWWQNUSA-N	1	1	402.264	1.375	20	0		HDADMO
CCCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000429377895	1075270259	/nfs/dbraw/zinc/27/02/59/1075270259.db2.gz	FYEIOVNKSABOEG-QZWWFDLISA-N	1	1	402.557	1.320	20	0		HDADMO
CCCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000429377895	1075270264	/nfs/dbraw/zinc/27/02/64/1075270264.db2.gz	FYEIOVNKSABOEG-QZWWFDLISA-N	1	1	402.557	1.320	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCc1cc(C(N)=O)co1	ZINC000429378982	1075271551	/nfs/dbraw/zinc/27/15/51/1075271551.db2.gz	BEHCVZMGULRLND-UHFFFAOYSA-N	1	1	415.450	1.096	20	0		HDADMO
O=C(c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000675786015	1075271540	/nfs/dbraw/zinc/27/15/40/1075271540.db2.gz	KYOCUAZSYDMKCP-JKSUJKDBSA-N	1	1	412.412	1.975	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000543651268	1075285267	/nfs/dbraw/zinc/28/52/67/1075285267.db2.gz	JGZCDGFZUUOOOB-INIZCTEOSA-N	1	1	404.511	1.700	20	0		HDADMO
O=S1(=O)CCCN1c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1F	ZINC000475721045	1075287432	/nfs/dbraw/zinc/28/74/32/1075287432.db2.gz	FHRRPUOIBIHWLQ-UHFFFAOYSA-N	1	1	407.471	1.604	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1	ZINC000675898910	1075288163	/nfs/dbraw/zinc/28/81/63/1075288163.db2.gz	RYEQBHJQXRYSMD-KBXCAEBGSA-N	1	1	416.349	1.972	20	0		HDADMO
C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)C[C@H](C)O1	ZINC000509371948	1075292190	/nfs/dbraw/zinc/29/21/90/1075292190.db2.gz	MOQFAYHXDNAQRX-IRXDYDNUSA-N	1	1	423.517	1.879	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1=O	ZINC000675911341	1075295452	/nfs/dbraw/zinc/29/54/52/1075295452.db2.gz	TVIWEFWDSVGOOW-UHOSZYNNSA-N	1	1	404.555	1.369	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466706638	1075298040	/nfs/dbraw/zinc/29/80/40/1075298040.db2.gz	QSQJZEHPGZPSIL-YOEHRIQHSA-N	1	1	408.458	1.849	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(Cn4cccn4)c3)CC2)c1	ZINC000675938929	1075301023	/nfs/dbraw/zinc/30/10/23/1075301023.db2.gz	PIHNSMGNSMUCJC-UHFFFAOYSA-N	1	1	404.474	1.922	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)[nH+]c1	ZINC000443516943	1075301780	/nfs/dbraw/zinc/30/17/80/1075301780.db2.gz	CRSULIXWMYLURT-OAHLLOKOSA-N	1	1	405.524	2.242	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)cc2)CC1	ZINC000675940271	1075301732	/nfs/dbraw/zinc/30/17/32/1075301732.db2.gz	JRRJUWPWLREEOU-GOSISDBHSA-N	1	1	424.505	1.320	20	0		HDADMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@@H]1C	ZINC000479119139	1075302204	/nfs/dbraw/zinc/30/22/04/1075302204.db2.gz	NUZFCARPNXXYBF-STQMWFEESA-N	1	1	402.322	1.566	20	0		HDADMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@@H]1C	ZINC000479119139	1075302206	/nfs/dbraw/zinc/30/22/06/1075302206.db2.gz	NUZFCARPNXXYBF-STQMWFEESA-N	1	1	402.322	1.566	20	0		HDADMO
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CC[NH+](C)CC3)c12	ZINC000675943962	1075303215	/nfs/dbraw/zinc/30/32/15/1075303215.db2.gz	MHBRODFVKYFGQE-HNNXBMFYSA-N	1	1	417.535	1.364	20	0		HDADMO
OC[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1cccc(OC(F)(F)F)c1	ZINC000546757477	1075304310	/nfs/dbraw/zinc/30/43/10/1075304310.db2.gz	AKELPXXTWWKTBU-OAHLLOKOSA-N	1	1	412.412	2.475	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)[nH+]c1	ZINC000480547414	1075305345	/nfs/dbraw/zinc/30/53/45/1075305345.db2.gz	STHYTTZQWQWQKT-KRWDZBQOSA-N	1	1	417.535	1.954	20	0		HDADMO
Cc1ccc(NCCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)[nH+]c1	ZINC000462119253	1075306364	/nfs/dbraw/zinc/30/63/64/1075306364.db2.gz	GNXQEXMUBAMMQH-SFHVURJKSA-N	1	1	402.520	2.162	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@H](C)O	ZINC000479139457	1075308812	/nfs/dbraw/zinc/30/88/12/1075308812.db2.gz	AMNCLHXYSOSDOS-UONOGXRCSA-N	1	1	416.349	1.956	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@H+]1C[C@H](C)O	ZINC000479139457	1075308817	/nfs/dbraw/zinc/30/88/17/1075308817.db2.gz	AMNCLHXYSOSDOS-UONOGXRCSA-N	1	1	416.349	1.956	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)[C@H](C)C1	ZINC000429387185	1075314163	/nfs/dbraw/zinc/31/41/63/1075314163.db2.gz	KORCEAAQJXGVQD-QAPCUYQASA-N	1	1	415.494	1.941	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)[C@H](C)C1	ZINC000429387185	1075314170	/nfs/dbraw/zinc/31/41/70/1075314170.db2.gz	KORCEAAQJXGVQD-QAPCUYQASA-N	1	1	415.494	1.941	20	0		HDADMO
C=C1c2ccccc2C(=O)N1CC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731351624	1075315069	/nfs/dbraw/zinc/31/50/69/1075315069.db2.gz	RJLZRVNKBAEEPB-UHFFFAOYSA-N	1	1	410.518	1.516	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1	ZINC000463998291	1075315982	/nfs/dbraw/zinc/31/59/82/1075315982.db2.gz	RIDODOCIKKRTNR-UHFFFAOYSA-N	1	1	410.434	1.977	20	0		HDADMO
COc1ccc2c(c1)N(CN1CCC(CC(=O)N3CC[NH+](C)CC3)CC1)C(=O)C2=O	ZINC000731354072	1075316522	/nfs/dbraw/zinc/31/65/22/1075316522.db2.gz	FZWMXDFVWVCUJY-UHFFFAOYSA-N	1	1	414.506	1.058	20	0		HDADMO
COc1ccc(NC(=O)C[NH+]2CCC(n3cccn3)CC2)cc1S(=O)(=O)N(C)C	ZINC000731354483	1075318378	/nfs/dbraw/zinc/31/83/78/1075318378.db2.gz	FURMDRVWMKVXCN-UHFFFAOYSA-N	1	1	421.523	1.418	20	0		HDADMO
C[C@H]1CCc2c(sc(=O)n2CN2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000731355923	1075318909	/nfs/dbraw/zinc/31/89/09/1075318909.db2.gz	IYNNUUPSSBNWNG-INIZCTEOSA-N	1	1	406.596	1.868	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)Cc3ccc(Cl)nc3)CC2)CC1	ZINC000731357648	1075320157	/nfs/dbraw/zinc/32/01/57/1075320157.db2.gz	LXWXSJSWKOIPKX-UHFFFAOYSA-N	1	1	414.959	1.441	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCN(C4CCCCC4)C3=O)CC2)CC1	ZINC000676021345	1075326644	/nfs/dbraw/zinc/32/66/44/1075326644.db2.gz	QPFZNHLJHKMMAW-IBGZPJMESA-N	1	1	419.570	1.116	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1cccs1	ZINC000804076152	1075337992	/nfs/dbraw/zinc/33/79/92/1075337992.db2.gz	CLHGTXSHAIRYKA-YJBOKZPZSA-N	1	1	402.520	1.837	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000543653700	1075338783	/nfs/dbraw/zinc/33/87/83/1075338783.db2.gz	VRAXSWTXJPVVJY-MRXNPFEDSA-N	1	1	403.527	1.227	20	0		HDADMO
CC1(C)C[N@H+](C2(CNC(=O)C(=O)NCCOc3cccnc3)CCCCC2)CCO1	ZINC000804078098	1075345246	/nfs/dbraw/zinc/34/52/46/1075345246.db2.gz	UWHBEZYXITYGLT-UHFFFAOYSA-N	1	1	418.538	1.507	20	0		HDADMO
CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000804082728	1075349886	/nfs/dbraw/zinc/34/98/86/1075349886.db2.gz	SVUZCKAFIVEAPH-LXGFQCHUSA-N	1	1	419.566	1.805	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)Nc1cc(C2CC2)n(C)n1	ZINC000566707187	1075358258	/nfs/dbraw/zinc/35/82/58/1075358258.db2.gz	SHAYTWYQOGXVEX-UHFFFAOYSA-N	1	1	412.494	2.338	20	0		HDADMO
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CC[NH+](Cc2cccc3cccnc32)CC1	ZINC000731470359	1075358432	/nfs/dbraw/zinc/35/84/32/1075358432.db2.gz	BTLXUHWWWMDMCJ-UHFFFAOYSA-N	1	1	421.501	1.647	20	0		HDADMO
CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1	ZINC000731472078	1075358949	/nfs/dbraw/zinc/35/89/49/1075358949.db2.gz	LDUMPRAXYNRZQA-KRWDZBQOSA-N	1	1	403.450	1.803	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1	ZINC000429396516	1075359197	/nfs/dbraw/zinc/35/91/97/1075359197.db2.gz	BQDOHNOTIVRCSL-ULQDDVLXSA-N	1	1	422.595	1.706	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)C1	ZINC000676097829	1075361686	/nfs/dbraw/zinc/36/16/86/1075361686.db2.gz	VTZPKWLPJBRWDK-FQEVSTJZSA-N	1	1	404.474	1.939	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C	ZINC000804086922	1075368084	/nfs/dbraw/zinc/36/80/84/1075368084.db2.gz	BJZXGOTYQMMISN-NXOAAHMSSA-N	1	1	410.559	1.880	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C	ZINC000804086922	1075368088	/nfs/dbraw/zinc/36/80/88/1075368088.db2.gz	BJZXGOTYQMMISN-NXOAAHMSSA-N	1	1	410.559	1.880	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)C1	ZINC000731480966	1075371975	/nfs/dbraw/zinc/37/19/75/1075371975.db2.gz	JRXFKBORILTCKX-QGZVFWFLSA-N	1	1	408.543	1.400	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1	ZINC000804087439	1075377978	/nfs/dbraw/zinc/37/79/78/1075377978.db2.gz	JLHMAKKSYMQTGD-BBWFWOEESA-N	1	1	408.543	1.539	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466713709	1075380276	/nfs/dbraw/zinc/38/02/76/1075380276.db2.gz	QFQZYZVIVXLDOZ-LPHOPBHVSA-N	1	1	424.501	1.659	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C	ZINC000804089662	1075381811	/nfs/dbraw/zinc/38/18/11/1075381811.db2.gz	CTXNMRMTGGYGGU-YYIAUSFCSA-N	1	1	410.559	1.880	20	0		HDADMO
Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1	ZINC000676112532	1075386105	/nfs/dbraw/zinc/38/61/05/1075386105.db2.gz	IAPMIFJMXCOPOE-FQEVSTJZSA-N	1	1	424.549	1.035	20	0		HDADMO
C[C@]1(c2cccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)c2)NC(=O)NC1=O	ZINC000676113915	1075386677	/nfs/dbraw/zinc/38/66/77/1075386677.db2.gz	XCSXDVJXSIVSFO-LAUBAEHRSA-N	1	1	400.479	1.068	20	0		HDADMO
C[C@@]1(c2cccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)c2)NC(=O)NC1=O	ZINC000676113918	1075386698	/nfs/dbraw/zinc/38/66/98/1075386698.db2.gz	XCSXDVJXSIVSFO-UWJYYQICSA-N	1	1	400.479	1.068	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C(=O)Nc1ccc(-n2nccn2)nc1	ZINC000731549319	1075386738	/nfs/dbraw/zinc/38/67/38/1075386738.db2.gz	WMEVSZAECZTFTR-GOSISDBHSA-N	1	1	411.510	1.762	20	0		HDADMO
CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000804091621	1075388820	/nfs/dbraw/zinc/38/88/20/1075388820.db2.gz	GXLPNNHTHDLZAL-SJORKVTESA-N	1	1	410.559	1.739	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cn1	ZINC000676129447	1075389992	/nfs/dbraw/zinc/38/99/92/1075389992.db2.gz	KQBUJNHLBUEWBL-AZUAARDMSA-N	1	1	400.527	1.449	20	0		HDADMO
Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CC[NH+](CCOC(C)C)CC3)cc12	ZINC000470215622	1075391543	/nfs/dbraw/zinc/39/15/43/1075391543.db2.gz	WSBMXZVLZYMJPA-HNNXBMFYSA-N	1	1	421.567	1.631	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1	ZINC000804094449	1075394118	/nfs/dbraw/zinc/39/41/18/1075394118.db2.gz	VQBWMVKDQAJYHH-CVEARBPZSA-N	1	1	408.543	1.635	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)n2)cc1	ZINC000441503148	1075396020	/nfs/dbraw/zinc/39/60/20/1075396020.db2.gz	SODWIFJEVGZHGX-MJGOQNOKSA-N	1	1	411.506	1.821	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)n2)cc1	ZINC000480157579	1075398086	/nfs/dbraw/zinc/39/80/86/1075398086.db2.gz	UUVXBZFHYQRLKJ-JOCHJYFZSA-N	1	1	411.506	1.823	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)[C@H]1C(C)C	ZINC000429400576	1075398462	/nfs/dbraw/zinc/39/84/62/1075398462.db2.gz	OQFAKDRHKXWQTJ-AXHNFQJDSA-N	1	1	423.535	1.131	20	0		HDADMO
O=C(NC1CCN(CC(F)F)CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676148662	1075398998	/nfs/dbraw/zinc/39/89/98/1075398998.db2.gz	ZLFNVPYKPXJIHZ-PKOBYXMFSA-N	1	1	410.509	1.898	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)n2)cc1	ZINC000434561110	1075402119	/nfs/dbraw/zinc/40/21/19/1075402119.db2.gz	GKQCVDUURVVGTI-GOSISDBHSA-N	1	1	411.506	2.012	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)n2)cc1	ZINC000433112039	1075410194	/nfs/dbraw/zinc/41/01/94/1075410194.db2.gz	ZGDIEDWFGNYZAZ-KRWDZBQOSA-N	1	1	401.511	2.562	20	0		HDADMO
COCCC(=O)N1CCC(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1	ZINC000676166919	1075416212	/nfs/dbraw/zinc/41/62/12/1075416212.db2.gz	GPAOIVSALQCQGD-FQEVSTJZSA-N	1	1	402.539	1.930	20	0		HDADMO
O=Cc1cccc(OCCC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000731624151	1075418221	/nfs/dbraw/zinc/41/82/21/1075418221.db2.gz	UYDOHATZJFNFSQ-UHFFFAOYSA-N	1	1	409.486	1.729	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000731626441	1075419113	/nfs/dbraw/zinc/41/91/13/1075419113.db2.gz	UNUVDIKWYFRQAA-QGZVFWFLSA-N	1	1	415.469	1.044	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000448332385	1075437110	/nfs/dbraw/zinc/43/71/10/1075437110.db2.gz	YOAWSHVDFVZYKO-JOCHJYFZSA-N	1	1	424.480	2.473	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2sccc2NC(=O)c2ccncc2)CC1	ZINC000731655274	1075438637	/nfs/dbraw/zinc/43/86/37/1075438637.db2.gz	HRKLCAZWYFPKCC-UHFFFAOYSA-N	1	1	415.519	1.678	20	0		HDADMO
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000731655639	1075439799	/nfs/dbraw/zinc/43/97/99/1075439799.db2.gz	UEEYFRAXHAPZHK-HNNXBMFYSA-N	1	1	416.588	1.302	20	0		HDADMO
Cc1nc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nn1-c1ccccc1	ZINC000731640434	1075441666	/nfs/dbraw/zinc/44/16/66/1075441666.db2.gz	PDEMANSWBQNQHR-UHFFFAOYSA-N	1	1	410.522	1.592	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676241871	1075442973	/nfs/dbraw/zinc/44/29/73/1075442973.db2.gz	JHTABVAMQGBEBM-CRAIPNDOSA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676241871	1075442981	/nfs/dbraw/zinc/44/29/81/1075442981.db2.gz	JHTABVAMQGBEBM-CRAIPNDOSA-N	1	1	412.556	1.033	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676243338	1075445809	/nfs/dbraw/zinc/44/58/09/1075445809.db2.gz	GAJNVVXMKGQEOA-IPELMVKDSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676243338	1075445811	/nfs/dbraw/zinc/44/58/11/1075445811.db2.gz	GAJNVVXMKGQEOA-IPELMVKDSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676243712	1075445846	/nfs/dbraw/zinc/44/58/46/1075445846.db2.gz	UAVYFMPEWSLHJD-YLJYHZDGSA-N	1	1	402.539	1.629	20	0		HDADMO
C[C@@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676243712	1075445848	/nfs/dbraw/zinc/44/58/48/1075445848.db2.gz	UAVYFMPEWSLHJD-YLJYHZDGSA-N	1	1	402.539	1.629	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676243341	1075445868	/nfs/dbraw/zinc/44/58/68/1075445868.db2.gz	GAJNVVXMKGQEOA-SNRMKQJTSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676243341	1075445869	/nfs/dbraw/zinc/44/58/69/1075445869.db2.gz	GAJNVVXMKGQEOA-SNRMKQJTSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1C[N@H+](C)CCO1	ZINC000676245288	1075447385	/nfs/dbraw/zinc/44/73/85/1075447385.db2.gz	LADSEWSSMAWPER-YOEHRIQHSA-N	1	1	417.535	1.591	20	0		HDADMO
C[C@H](NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676245288	1075447387	/nfs/dbraw/zinc/44/73/87/1075447387.db2.gz	LADSEWSSMAWPER-YOEHRIQHSA-N	1	1	417.535	1.591	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000544159623	1075448291	/nfs/dbraw/zinc/44/82/91/1075448291.db2.gz	RNVMLLAIGRBELD-MRXNPFEDSA-N	1	1	404.559	1.635	20	0		HDADMO
C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1	ZINC000676248078	1075448575	/nfs/dbraw/zinc/44/85/75/1075448575.db2.gz	MEUKJXVHPXQXHE-MPGHIAIKSA-N	1	1	417.510	1.111	20	0		HDADMO
C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248078	1075448578	/nfs/dbraw/zinc/44/85/78/1075448578.db2.gz	MEUKJXVHPXQXHE-MPGHIAIKSA-N	1	1	417.510	1.111	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676257373	1075453236	/nfs/dbraw/zinc/45/32/36/1075453236.db2.gz	SICNUJPAFZAGKX-QRWLVFNGSA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257373	1075453238	/nfs/dbraw/zinc/45/32/38/1075453238.db2.gz	SICNUJPAFZAGKX-QRWLVFNGSA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@H]1C[N@H+](C)CCO1	ZINC000676257368	1075453373	/nfs/dbraw/zinc/45/33/73/1075453373.db2.gz	SICNUJPAFZAGKX-FOIQADDNSA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676257368	1075453375	/nfs/dbraw/zinc/45/33/75/1075453375.db2.gz	SICNUJPAFZAGKX-FOIQADDNSA-N	1	1	407.470	1.932	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1C	ZINC000676258299	1075453810	/nfs/dbraw/zinc/45/38/10/1075453810.db2.gz	HHSULIDAUGKMAU-YLJYHZDGSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1C	ZINC000676258299	1075453812	/nfs/dbraw/zinc/45/38/12/1075453812.db2.gz	HHSULIDAUGKMAU-YLJYHZDGSA-N	1	1	423.579	1.539	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258983	1075454218	/nfs/dbraw/zinc/45/42/18/1075454218.db2.gz	YOLBCJBLJDMIKQ-OXJNMPFZSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258983	1075454221	/nfs/dbraw/zinc/45/42/21/1075454221.db2.gz	YOLBCJBLJDMIKQ-OXJNMPFZSA-N	1	1	417.531	1.961	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676258949	1075454351	/nfs/dbraw/zinc/45/43/51/1075454351.db2.gz	GRFTVEDLBRJSRH-QFBILLFUSA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676258949	1075454355	/nfs/dbraw/zinc/45/43/55/1075454355.db2.gz	GRFTVEDLBRJSRH-QFBILLFUSA-N	1	1	409.552	1.619	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OC	ZINC000676259026	1075454937	/nfs/dbraw/zinc/45/49/37/1075454937.db2.gz	ZVKZZQVAYBASPR-PBHICJAKSA-N	1	1	413.540	1.175	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OC	ZINC000676259026	1075454942	/nfs/dbraw/zinc/45/49/42/1075454942.db2.gz	ZVKZZQVAYBASPR-PBHICJAKSA-N	1	1	413.540	1.175	20	0		HDADMO
C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[N@H+](C)CCO1	ZINC000676258742	1075455346	/nfs/dbraw/zinc/45/53/46/1075455346.db2.gz	XUSGPTYOOIDRET-OXQOHEQNSA-N	1	1	423.579	1.459	20	0		HDADMO
C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[N@@H+](C)CCO1	ZINC000676258742	1075455350	/nfs/dbraw/zinc/45/53/50/1075455350.db2.gz	XUSGPTYOOIDRET-OXQOHEQNSA-N	1	1	423.579	1.459	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H]2C(=O)OCc2ccccc2)C1	ZINC000731669597	1075455354	/nfs/dbraw/zinc/45/53/54/1075455354.db2.gz	SMRGIGWRISQBKM-SFTDATJTSA-N	1	1	417.550	1.667	20	0		HDADMO
Cn1c(=O)c(C(=O)C[N@H+](C)CCc2ccccc2F)c(N)n(Cc2ccccc2)c1=O	ZINC000731670409	1075455462	/nfs/dbraw/zinc/45/54/62/1075455462.db2.gz	LTGBRMFOKPIEFP-UHFFFAOYSA-N	1	1	424.476	1.674	20	0		HDADMO
Cn1c(=O)c(C(=O)C[N@@H+](C)CCc2ccccc2F)c(N)n(Cc2ccccc2)c1=O	ZINC000731670409	1075455466	/nfs/dbraw/zinc/45/54/66/1075455466.db2.gz	LTGBRMFOKPIEFP-UHFFFAOYSA-N	1	1	424.476	1.674	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258650	1075455500	/nfs/dbraw/zinc/45/55/00/1075455500.db2.gz	VKRYLMBMWZDLGO-VQIMIIECSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258650	1075455504	/nfs/dbraw/zinc/45/55/04/1075455504.db2.gz	VKRYLMBMWZDLGO-VQIMIIECSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676260812	1075458274	/nfs/dbraw/zinc/45/82/74/1075458274.db2.gz	HWPUFXUUUMZLMT-XAHBDIOTSA-N	1	1	408.543	1.349	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260812	1075458277	/nfs/dbraw/zinc/45/82/77/1075458277.db2.gz	HWPUFXUUUMZLMT-XAHBDIOTSA-N	1	1	408.543	1.349	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H](C)[C@H]3CN(C)CCO3)cc2)CC1	ZINC000676261588	1075460673	/nfs/dbraw/zinc/46/06/73/1075460673.db2.gz	WYHHQXFOCDWRSM-VQIMIIECSA-N	1	1	403.527	1.305	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676262892	1075461210	/nfs/dbraw/zinc/46/12/10/1075461210.db2.gz	OPPPGWHIKVJYMN-BLLLJJGKSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262892	1075461214	/nfs/dbraw/zinc/46/12/14/1075461214.db2.gz	OPPPGWHIKVJYMN-BLLLJJGKSA-N	1	1	400.476	1.206	20	0		HDADMO
COc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676262477	1075461856	/nfs/dbraw/zinc/46/18/56/1075461856.db2.gz	ZNFRWJURXPZKJM-CZUORRHYSA-N	1	1	413.540	1.221	20	0		HDADMO
COc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676262477	1075461865	/nfs/dbraw/zinc/46/18/65/1075461865.db2.gz	ZNFRWJURXPZKJM-CZUORRHYSA-N	1	1	413.540	1.221	20	0		HDADMO
C[C@@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676264430	1075463802	/nfs/dbraw/zinc/46/38/02/1075463802.db2.gz	RFPHSWCDKVMAAJ-CZUORRHYSA-N	1	1	407.496	1.116	20	0		HDADMO
C[C@@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676264430	1075463807	/nfs/dbraw/zinc/46/38/07/1075463807.db2.gz	RFPHSWCDKVMAAJ-CZUORRHYSA-N	1	1	407.496	1.116	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C)[C@H]3CN(C)CCO3)C2)cc(OC)c1	ZINC000676250053	1075466478	/nfs/dbraw/zinc/46/64/78/1075466478.db2.gz	VIASQGNVGVZRTI-OXFYSEKESA-N	1	1	406.527	1.296	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H](C)[C@H]3CN(C)CCO3)C2)cc(OC)c1	ZINC000676250053	1075466488	/nfs/dbraw/zinc/46/64/88/1075466488.db2.gz	VIASQGNVGVZRTI-OXFYSEKESA-N	1	1	406.527	1.296	20	0		HDADMO
C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676250032	1075466909	/nfs/dbraw/zinc/46/69/09/1075466909.db2.gz	KPDUSMZUTNXMNX-IUODEOHRSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250032	1075466913	/nfs/dbraw/zinc/46/69/13/1075466913.db2.gz	KPDUSMZUTNXMNX-IUODEOHRSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000731683753	1075467886	/nfs/dbraw/zinc/46/78/86/1075467886.db2.gz	GQYFJFOGVSFDGA-HZPDHXFCSA-N	1	1	411.547	1.225	20	0		HDADMO
C[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250356	1075468462	/nfs/dbraw/zinc/46/84/62/1075468462.db2.gz	HALDBROEANEXEL-DOMZBBRYSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250356	1075468463	/nfs/dbraw/zinc/46/84/63/1075468463.db2.gz	HALDBROEANEXEL-DOMZBBRYSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251617	1075468493	/nfs/dbraw/zinc/46/84/93/1075468493.db2.gz	REKOYMYPAFFLOR-CRAIPNDOSA-N	1	1	423.945	1.325	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251617	1075468496	/nfs/dbraw/zinc/46/84/96/1075468496.db2.gz	REKOYMYPAFFLOR-CRAIPNDOSA-N	1	1	423.945	1.325	20	0		HDADMO
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676251579	1075469043	/nfs/dbraw/zinc/46/90/43/1075469043.db2.gz	QXODVVKNPZOJSK-BEFAXECRSA-N	1	1	404.511	1.774	20	0		HDADMO
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676251579	1075469046	/nfs/dbraw/zinc/46/90/46/1075469046.db2.gz	QXODVVKNPZOJSK-BEFAXECRSA-N	1	1	404.511	1.774	20	0		HDADMO
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676251582	1075469086	/nfs/dbraw/zinc/46/90/86/1075469086.db2.gz	QXODVVKNPZOJSK-DNVCBOLYSA-N	1	1	404.511	1.774	20	0		HDADMO
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676251582	1075469087	/nfs/dbraw/zinc/46/90/87/1075469087.db2.gz	QXODVVKNPZOJSK-DNVCBOLYSA-N	1	1	404.511	1.774	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251508	1075469094	/nfs/dbraw/zinc/46/90/94/1075469094.db2.gz	NIHFVINEKCNBCN-ZFWWWQNUSA-N	1	1	412.332	1.395	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251508	1075469096	/nfs/dbraw/zinc/46/90/96/1075469096.db2.gz	NIHFVINEKCNBCN-ZFWWWQNUSA-N	1	1	412.332	1.395	20	0		HDADMO
CC[C@H](NC(=O)N1CCN2CCOC[C@@H]2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543666715	1075469300	/nfs/dbraw/zinc/46/93/00/1075469300.db2.gz	BQNJMRXCARVGAL-PCCBWWKXSA-N	1	1	402.539	1.392	20	0		HDADMO
CC[C@H](NC(=O)N1CCN2CCOC[C@@H]2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543666715	1075469303	/nfs/dbraw/zinc/46/93/03/1075469303.db2.gz	BQNJMRXCARVGAL-PCCBWWKXSA-N	1	1	402.539	1.392	20	0		HDADMO
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676251584	1075469559	/nfs/dbraw/zinc/46/95/59/1075469559.db2.gz	QXODVVKNPZOJSK-HNAYVOBHSA-N	1	1	404.511	1.774	20	0		HDADMO
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676251584	1075469564	/nfs/dbraw/zinc/46/95/64/1075469564.db2.gz	QXODVVKNPZOJSK-HNAYVOBHSA-N	1	1	404.511	1.774	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252662	1075470018	/nfs/dbraw/zinc/47/00/18/1075470018.db2.gz	ROVYKRGOZJEHSI-JNEKLRAESA-N	1	1	418.582	1.776	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252662	1075470021	/nfs/dbraw/zinc/47/00/21/1075470021.db2.gz	ROVYKRGOZJEHSI-JNEKLRAESA-N	1	1	418.582	1.776	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676254144	1075471293	/nfs/dbraw/zinc/47/12/93/1075471293.db2.gz	DESFIJJUHJGIIY-GPMSIDNRSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676254144	1075471300	/nfs/dbraw/zinc/47/13/00/1075471300.db2.gz	DESFIJJUHJGIIY-GPMSIDNRSA-N	1	1	424.567	1.948	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1=O	ZINC000731689660	1075472726	/nfs/dbraw/zinc/47/27/26/1075472726.db2.gz	OCJYPYWCMZJEFW-OKZBNKHCSA-N	1	1	422.570	1.787	20	0		HDADMO
Cc1c[nH+]c(N[C@H](CCO)C2CCOCC2)nc1N[C@@H](CCO)C1CCOCC1	ZINC000460951967	1075472805	/nfs/dbraw/zinc/47/28/05/1075472805.db2.gz	NEJAIPHVOLDOJR-RBUKOAKNSA-N	1	1	408.543	1.964	20	0		HDADMO
CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434940660	1075475886	/nfs/dbraw/zinc/47/58/86/1075475886.db2.gz	YFLZTFAMHGJYJA-IUODEOHRSA-N	1	1	400.483	1.932	20	0		HDADMO
CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434940661	1075476992	/nfs/dbraw/zinc/47/69/92/1075476992.db2.gz	YFLZTFAMHGJYJA-SWLSCSKDSA-N	1	1	400.483	1.932	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676277870	1075477519	/nfs/dbraw/zinc/47/75/19/1075477519.db2.gz	CCAFELUCWVNUEJ-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277870	1075477524	/nfs/dbraw/zinc/47/75/24/1075477524.db2.gz	CCAFELUCWVNUEJ-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279088	1075478618	/nfs/dbraw/zinc/47/86/18/1075478618.db2.gz	NAPFGDFIIGDEGF-DOMZBBRYSA-N	1	1	402.520	1.949	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279088	1075478619	/nfs/dbraw/zinc/47/86/19/1075478619.db2.gz	NAPFGDFIIGDEGF-DOMZBBRYSA-N	1	1	402.520	1.949	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278857	1075480308	/nfs/dbraw/zinc/48/03/08/1075480308.db2.gz	LFXIZZSBEJAHIA-TXPKVOOTSA-N	1	1	416.522	1.475	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278857	1075480314	/nfs/dbraw/zinc/48/03/14/1075480314.db2.gz	LFXIZZSBEJAHIA-TXPKVOOTSA-N	1	1	416.522	1.475	20	0		HDADMO
COc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1Br	ZINC000676278662	1075480443	/nfs/dbraw/zinc/48/04/43/1075480443.db2.gz	JTAVEZCUWARAGL-HZMBPMFUSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1Br	ZINC000676278662	1075480447	/nfs/dbraw/zinc/48/04/47/1075480447.db2.gz	JTAVEZCUWARAGL-HZMBPMFUSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676278354	1075480987	/nfs/dbraw/zinc/48/09/87/1075480987.db2.gz	GKMVXDNILTVVAI-MAUKXSAKSA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278354	1075480990	/nfs/dbraw/zinc/48/09/90/1075480990.db2.gz	GKMVXDNILTVVAI-MAUKXSAKSA-N	1	1	402.495	1.087	20	0		HDADMO
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676278415	1075481264	/nfs/dbraw/zinc/48/12/64/1075481264.db2.gz	HPNQYXXYXWVRRA-APWZRJJASA-N	1	1	418.538	1.723	20	0		HDADMO
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676278415	1075481271	/nfs/dbraw/zinc/48/12/71/1075481271.db2.gz	HPNQYXXYXWVRRA-APWZRJJASA-N	1	1	418.538	1.723	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[C@H]1C[N@H+](C)CCO1	ZINC000676280083	1075482092	/nfs/dbraw/zinc/48/20/92/1075482092.db2.gz	RETTYLFSMWXOGT-NOZJJQNGSA-N	1	1	400.357	1.620	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280083	1075482102	/nfs/dbraw/zinc/48/21/02/1075482102.db2.gz	RETTYLFSMWXOGT-NOZJJQNGSA-N	1	1	400.357	1.620	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280060	1075482598	/nfs/dbraw/zinc/48/25/98/1075482598.db2.gz	QWJCQENOHDWICD-KDOFPFPSSA-N	1	1	402.495	1.133	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280060	1075482601	/nfs/dbraw/zinc/48/26/01/1075482601.db2.gz	QWJCQENOHDWICD-KDOFPFPSSA-N	1	1	402.495	1.133	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279588	1075484022	/nfs/dbraw/zinc/48/40/22/1075484022.db2.gz	DHCSEGAYMZWXDF-JQWIXIFHSA-N	1	1	422.379	1.135	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279588	1075484029	/nfs/dbraw/zinc/48/40/29/1075484029.db2.gz	DHCSEGAYMZWXDF-JQWIXIFHSA-N	1	1	422.379	1.135	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279485	1075484548	/nfs/dbraw/zinc/48/45/48/1075484548.db2.gz	OJWJXXXOBYUIMG-FCEWJHQRSA-N	1	1	405.495	1.408	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279485	1075484551	/nfs/dbraw/zinc/48/45/51/1075484551.db2.gz	OJWJXXXOBYUIMG-FCEWJHQRSA-N	1	1	405.495	1.408	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1OCC(F)(F)F	ZINC000676280815	1075485409	/nfs/dbraw/zinc/48/54/09/1075485409.db2.gz	SZZCBTRILNBDQS-IUODEOHRSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1OCC(F)(F)F	ZINC000676280815	1075485415	/nfs/dbraw/zinc/48/54/15/1075485415.db2.gz	SZZCBTRILNBDQS-IUODEOHRSA-N	1	1	403.401	1.710	20	0		HDADMO
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676280873	1075485571	/nfs/dbraw/zinc/48/55/71/1075485571.db2.gz	ULKMKWMZSMATBM-MLGOLLRUSA-N	1	1	410.902	1.254	20	0		HDADMO
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676280873	1075485578	/nfs/dbraw/zinc/48/55/78/1075485578.db2.gz	ULKMKWMZSMATBM-MLGOLLRUSA-N	1	1	410.902	1.254	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1OCC1CCOCC1	ZINC000676280742	1075486070	/nfs/dbraw/zinc/48/60/70/1075486070.db2.gz	WEIVYUDBRWCCMI-OXQOHEQNSA-N	1	1	419.522	1.574	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OCC1CCOCC1	ZINC000676280742	1075486072	/nfs/dbraw/zinc/48/60/72/1075486072.db2.gz	WEIVYUDBRWCCMI-OXQOHEQNSA-N	1	1	419.522	1.574	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676280356	1075487240	/nfs/dbraw/zinc/48/72/40/1075487240.db2.gz	SAMCLJOVCJBSDG-GXFFZTMASA-N	1	1	405.442	1.957	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676280356	1075487242	/nfs/dbraw/zinc/48/72/42/1075487242.db2.gz	SAMCLJOVCJBSDG-GXFFZTMASA-N	1	1	405.442	1.957	20	0		HDADMO
COc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cn2)cc1	ZINC000676280341	1075487287	/nfs/dbraw/zinc/48/72/87/1075487287.db2.gz	RUIQRYRCYNIFQR-KSSFIOAISA-N	1	1	414.462	1.656	20	0		HDADMO
COc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cn2)cc1	ZINC000676280341	1075487289	/nfs/dbraw/zinc/48/72/89/1075487289.db2.gz	RUIQRYRCYNIFQR-KSSFIOAISA-N	1	1	414.462	1.656	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281827	1075487875	/nfs/dbraw/zinc/48/78/75/1075487875.db2.gz	XNSWSUXRNHRSGD-CJNGLKHVSA-N	1	1	403.508	1.345	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281827	1075487881	/nfs/dbraw/zinc/48/78/81/1075487881.db2.gz	XNSWSUXRNHRSGD-CJNGLKHVSA-N	1	1	403.508	1.345	20	0		HDADMO
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676281554	1075488371	/nfs/dbraw/zinc/48/83/71/1075488371.db2.gz	NPUZHMLSIGKCHH-ABAIWWIYSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281554	1075488376	/nfs/dbraw/zinc/48/83/76/1075488376.db2.gz	NPUZHMLSIGKCHH-ABAIWWIYSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676281605	1075488673	/nfs/dbraw/zinc/48/86/73/1075488673.db2.gz	YZKGXTDYLZQYGL-XHDPSFHLSA-N	1	1	414.300	1.622	20	0		HDADMO
CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676281605	1075488677	/nfs/dbraw/zinc/48/86/77/1075488677.db2.gz	YZKGXTDYLZQYGL-XHDPSFHLSA-N	1	1	414.300	1.622	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C	ZINC000487684637	1075490300	/nfs/dbraw/zinc/49/03/00/1075490300.db2.gz	MOJBUDVZJBTSOQ-HNAYVOBHSA-N	1	1	413.522	1.636	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676283427	1075490800	/nfs/dbraw/zinc/49/08/00/1075490800.db2.gz	ZBEPMGHNPAZLIG-MEDUHNTESA-N	1	1	408.886	1.006	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676283427	1075490803	/nfs/dbraw/zinc/49/08/03/1075490803.db2.gz	ZBEPMGHNPAZLIG-MEDUHNTESA-N	1	1	408.886	1.006	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C	ZINC000539478199	1075491094	/nfs/dbraw/zinc/49/10/94/1075491094.db2.gz	DCFUVADQDXCUOF-KSFYIVLOSA-N	1	1	413.522	1.854	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CS[C@H]1CCS(=O)(=O)C1	ZINC000711753901	1075491444	/nfs/dbraw/zinc/49/14/44/1075491444.db2.gz	AELRACZNDQWOCR-HKUYNNGSSA-N	1	1	412.577	1.002	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676288906	1075492841	/nfs/dbraw/zinc/49/28/41/1075492841.db2.gz	AMZYHYPKNMJDGS-RRQGHBQHSA-N	1	1	424.339	1.889	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676288906	1075492844	/nfs/dbraw/zinc/49/28/44/1075492844.db2.gz	AMZYHYPKNMJDGS-RRQGHBQHSA-N	1	1	424.339	1.889	20	0		HDADMO
Cc1nc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)sc1S(N)(=O)=O	ZINC000580584836	1075494383	/nfs/dbraw/zinc/49/43/83/1075494383.db2.gz	VVEJIUUTYGDKFK-UHFFFAOYSA-N	1	1	423.608	2.109	20	0		HDADMO
COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676289590	1075494509	/nfs/dbraw/zinc/49/45/09/1075494509.db2.gz	GFZCUSGRIZYQBQ-CXAGYDPISA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676289590	1075494513	/nfs/dbraw/zinc/49/45/13/1075494513.db2.gz	GFZCUSGRIZYQBQ-CXAGYDPISA-N	1	1	405.524	1.512	20	0		HDADMO
CC[C@@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)[N@H+]1CCc2ccccc2C1	ZINC000676290488	1075495247	/nfs/dbraw/zinc/49/52/47/1075495247.db2.gz	ZKPFSACYNGNVET-FQEVSTJZSA-N	1	1	401.555	1.239	20	0		HDADMO
C[C@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676293062	1075496632	/nfs/dbraw/zinc/49/66/32/1075496632.db2.gz	SHRYYSWWEMVDFU-MAUKXSAKSA-N	1	1	423.945	1.007	20	0		HDADMO
C[C@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676293062	1075496635	/nfs/dbraw/zinc/49/66/35/1075496635.db2.gz	SHRYYSWWEMVDFU-MAUKXSAKSA-N	1	1	423.945	1.007	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1	ZINC000676296454	1075499666	/nfs/dbraw/zinc/49/96/66/1075499666.db2.gz	AOODTRSDIBNUHS-ICSRJNTNSA-N	1	1	401.555	1.455	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676304319	1075502966	/nfs/dbraw/zinc/50/29/66/1075502966.db2.gz	KVIVFLJYRGAWDH-PBHICJAKSA-N	1	1	400.483	1.740	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676304319	1075502974	/nfs/dbraw/zinc/50/29/74/1075502974.db2.gz	KVIVFLJYRGAWDH-PBHICJAKSA-N	1	1	400.483	1.740	20	0		HDADMO
O=C(c1ccccc1OC(F)F)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676305712	1075503057	/nfs/dbraw/zinc/50/30/57/1075503057.db2.gz	UCINTFFBMZBRAC-UHFFFAOYSA-N	1	1	419.432	1.877	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676305292	1075503108	/nfs/dbraw/zinc/50/31/08/1075503108.db2.gz	HCKPDMVZGGFBBJ-DUVNUKRYSA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676305292	1075503112	/nfs/dbraw/zinc/50/31/12/1075503112.db2.gz	HCKPDMVZGGFBBJ-DUVNUKRYSA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676306224	1075503162	/nfs/dbraw/zinc/50/31/62/1075503162.db2.gz	KSIHSQRPFWKWPD-DYVFJYSZSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306224	1075503164	/nfs/dbraw/zinc/50/31/64/1075503164.db2.gz	KSIHSQRPFWKWPD-DYVFJYSZSA-N	1	1	412.893	1.666	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc(OC)c1	ZINC000676307165	1075503919	/nfs/dbraw/zinc/50/39/19/1075503919.db2.gz	ZBGDSHNYFJEJRR-JXFKEZNVSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc(OC)c1	ZINC000676307165	1075503922	/nfs/dbraw/zinc/50/39/22/1075503922.db2.gz	ZBGDSHNYFJEJRR-JXFKEZNVSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c1	ZINC000676306976	1075504005	/nfs/dbraw/zinc/50/40/05/1075504005.db2.gz	QKDZPUJWWLIIED-UHFFFAOYSA-N	1	1	413.478	1.293	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000676316912	1075506032	/nfs/dbraw/zinc/50/60/32/1075506032.db2.gz	IBMOGESVMOLUCC-SJLPKXTDSA-N	1	1	424.567	1.107	20	0		HDADMO
C[C@@H]1CCCN(C(=O)C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1	ZINC001035755622	1075506464	/nfs/dbraw/zinc/50/64/64/1075506464.db2.gz	QTRFPQUNGVZJFC-KKEPMVJESA-N	1	1	401.551	1.593	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035758427	1075507142	/nfs/dbraw/zinc/50/71/42/1075507142.db2.gz	UJZSBFHBBZPVMC-LBCBGTHCSA-N	1	1	401.551	1.782	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676334513	1075510564	/nfs/dbraw/zinc/51/05/64/1075510564.db2.gz	XVXXBHZVQQFASK-VBNZEHGJSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676334513	1075510572	/nfs/dbraw/zinc/51/05/72/1075510572.db2.gz	XVXXBHZVQQFASK-VBNZEHGJSA-N	1	1	410.312	1.637	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1	ZINC000731757572	1075512905	/nfs/dbraw/zinc/51/29/05/1075512905.db2.gz	WXSJYQJNDBBNIO-UHFFFAOYSA-N	1	1	401.511	1.165	20	0		HDADMO
CS(=O)(=O)c1ccc(OCCCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000676340869	1075513997	/nfs/dbraw/zinc/51/39/97/1075513997.db2.gz	LRVYUBFVGDYWLG-QGZVFWFLSA-N	1	1	410.536	1.572	20	0		HDADMO
Cc1c(C(=O)N2CCN([C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676341826	1075515180	/nfs/dbraw/zinc/51/51/80/1075515180.db2.gz	VZEMAAOGJLVPRK-GOSISDBHSA-N	1	1	410.522	1.110	20	0		HDADMO
Cc1nc(NC(=O)C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nn1C	ZINC000574860363	1075520958	/nfs/dbraw/zinc/52/09/58/1075520958.db2.gz	ZEEYHPWKFVBAOF-UHFFFAOYSA-N	1	1	424.427	1.862	20	0		HDADMO
C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676332085	1075521664	/nfs/dbraw/zinc/52/16/64/1075521664.db2.gz	BDGBXASKJVZEAB-APWZRJJASA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332085	1075521669	/nfs/dbraw/zinc/52/16/69/1075521669.db2.gz	BDGBXASKJVZEAB-APWZRJJASA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000676331788	1075521732	/nfs/dbraw/zinc/52/17/32/1075521732.db2.gz	AZZIOZHSPCRIDU-FIXISWKDSA-N	1	1	424.295	1.269	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000676331788	1075521734	/nfs/dbraw/zinc/52/17/34/1075521734.db2.gz	AZZIOZHSPCRIDU-FIXISWKDSA-N	1	1	424.295	1.269	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc(C3CC3)nc21	ZINC000676332875	1075522408	/nfs/dbraw/zinc/52/24/08/1075522408.db2.gz	UMTYVXCEYKRSIA-MLGOLLRUSA-N	1	1	415.494	1.233	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc(C3CC3)nc21	ZINC000676332875	1075522413	/nfs/dbraw/zinc/52/24/13/1075522413.db2.gz	UMTYVXCEYKRSIA-MLGOLLRUSA-N	1	1	415.494	1.233	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)(c2ccccc2)CC1	ZINC000676334075	1075523371	/nfs/dbraw/zinc/52/33/71/1075523371.db2.gz	RYFMKKBUGXWUFZ-MJGOQNOKSA-N	1	1	423.579	1.205	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)(c2ccccc2)CC1	ZINC000676334075	1075523376	/nfs/dbraw/zinc/52/33/76/1075523376.db2.gz	RYFMKKBUGXWUFZ-MJGOQNOKSA-N	1	1	423.579	1.205	20	0		HDADMO
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@](C)(CO)c2ccccc2)C1=O	ZINC000731844074	1075529334	/nfs/dbraw/zinc/52/93/34/1075529334.db2.gz	IXYFTTIMHJQUBE-YADHBBJMSA-N	1	1	410.474	1.372	20	0		HDADMO
C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000731843792	1075529663	/nfs/dbraw/zinc/52/96/63/1075529663.db2.gz	YJOMVTUFFDMLMX-DOTOQJQBSA-N	1	1	400.527	1.697	20	0		HDADMO
CCOC(=O)C1C(CN2CCC[C@@H]([NH+](C)C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000731847335	1075530802	/nfs/dbraw/zinc/53/08/02/1075530802.db2.gz	HDRWQYZKLMMYFA-UZLBHIALSA-N	1	1	416.522	1.892	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2)CC1	ZINC000676375382	1075536638	/nfs/dbraw/zinc/53/66/38/1075536638.db2.gz	MCKSCSBXPVFGNV-IBGZPJMESA-N	1	1	408.524	1.163	20	0		HDADMO
CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccn1	ZINC000676406844	1075545052	/nfs/dbraw/zinc/54/50/52/1075545052.db2.gz	ZGPZQJPQBUNIGG-PKOBYXMFSA-N	1	1	417.554	1.114	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cccc(N2CCOC2=O)c1	ZINC000731842075	1075546974	/nfs/dbraw/zinc/54/69/74/1075546974.db2.gz	DEPWWAZLBGDJAK-GOSISDBHSA-N	1	1	416.478	1.295	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1	ZINC000731843295	1075547981	/nfs/dbraw/zinc/54/79/81/1075547981.db2.gz	OKCSDYWRLKWIHI-OAHLLOKOSA-N	1	1	419.595	1.376	20	0		HDADMO
CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1	ZINC000731873026	1075549001	/nfs/dbraw/zinc/54/90/01/1075549001.db2.gz	KIFJVCBBJYDXDV-MRXNPFEDSA-N	1	1	418.567	1.385	20	0		HDADMO
CN(C)C(=O)Nc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(Cl)c1	ZINC000676446550	1075556202	/nfs/dbraw/zinc/55/62/02/1075556202.db2.gz	SOODWKALIYSUHK-KRWDZBQOSA-N	1	1	421.929	1.988	20	0		HDADMO
Cc1c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cnn1-c1ccccc1	ZINC000676452583	1075558616	/nfs/dbraw/zinc/55/86/16/1075558616.db2.gz	KBKQJNAGQQFOQJ-IBGZPJMESA-N	1	1	410.522	1.358	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)CN3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1OC	ZINC000509416096	1075561945	/nfs/dbraw/zinc/56/19/45/1075561945.db2.gz	LXFRKJFYATWPBM-OALUTQOASA-N	1	1	418.582	1.681	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1)c1ccc(S(N)(=O)=O)cc1	ZINC000676478729	1075566328	/nfs/dbraw/zinc/56/63/28/1075566328.db2.gz	OTNLCCYQFYXRPV-ZOBUZTSGSA-N	1	1	405.524	1.433	20	0		HDADMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1nnc(Cc2ccc(F)cc2)s1	ZINC000546740401	1075567396	/nfs/dbraw/zinc/56/73/96/1075567396.db2.gz	HIFNHGOHLWKJKU-AWEZNQCLSA-N	1	1	406.531	2.416	20	0		HDADMO
CC1(C)C[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(C)(C)CO1	ZINC000676486072	1075568050	/nfs/dbraw/zinc/56/80/50/1075568050.db2.gz	OVCIKJNVVJSRQA-UHFFFAOYSA-N	1	1	420.529	1.798	20	0		HDADMO
CC1(C)C[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(C)(C)CO1	ZINC000676486072	1075568053	/nfs/dbraw/zinc/56/80/53/1075568053.db2.gz	OVCIKJNVVJSRQA-UHFFFAOYSA-N	1	1	420.529	1.798	20	0		HDADMO
CC(C)COc1cccc(OCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000676490098	1075568670	/nfs/dbraw/zinc/56/86/70/1075568670.db2.gz	SGQWAUCTGPMERL-IBGZPJMESA-N	1	1	405.539	1.623	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O	ZINC000676502311	1075570340	/nfs/dbraw/zinc/57/03/40/1075570340.db2.gz	ZCLJRYOVQZXRFE-SZUSHISOSA-N	1	1	403.527	1.365	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccccc1N1CCOC1=O	ZINC000731984250	1075576588	/nfs/dbraw/zinc/57/65/88/1075576588.db2.gz	ZQGQWIQFRXBFST-GOSISDBHSA-N	1	1	416.478	1.295	20	0		HDADMO
COC(=O)c1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1F	ZINC000731966362	1075578313	/nfs/dbraw/zinc/57/83/13/1075578313.db2.gz	MORGQTRYBDLYLZ-KRWDZBQOSA-N	1	1	407.442	1.264	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000731972169	1075580356	/nfs/dbraw/zinc/58/03/56/1075580356.db2.gz	NHWYJWHSGQCHFP-YVMONPNESA-N	1	1	421.501	1.158	20	0		HDADMO
Cc1onc(NC(=O)C(=O)NC2CC([N@@H+](CC(=O)OC(C)(C)C)CC3CC3)C2)c1C	ZINC000559847051	1075580494	/nfs/dbraw/zinc/58/04/94/1075580494.db2.gz	JFTZJZUCYCIRFC-UHFFFAOYSA-N	1	1	420.510	1.931	20	0		HDADMO
Cc1onc(NC(=O)C(=O)NC2CC([N@H+](CC(=O)OC(C)(C)C)CC3CC3)C2)c1C	ZINC000559847051	1075580497	/nfs/dbraw/zinc/58/04/97/1075580497.db2.gz	JFTZJZUCYCIRFC-UHFFFAOYSA-N	1	1	420.510	1.931	20	0		HDADMO
CCNC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000731973494	1075580586	/nfs/dbraw/zinc/58/05/86/1075580586.db2.gz	ZYEVSUFPXPCLHH-GOSISDBHSA-N	1	1	402.495	1.088	20	0		HDADMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1	ZINC000676529410	1075582156	/nfs/dbraw/zinc/58/21/56/1075582156.db2.gz	MWXKPLDSQYTGBX-INIZCTEOSA-N	1	1	413.540	1.398	20	0		HDADMO
Cc1ccccc1-c1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n(C)n1	ZINC000676550653	1075583431	/nfs/dbraw/zinc/58/34/31/1075583431.db2.gz	RYQBLPDVJPZDIM-SFHVURJKSA-N	1	1	424.549	1.572	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccnn3CCc3ccccc3)CC2)C1	ZINC000676550752	1075583516	/nfs/dbraw/zinc/58/35/16/1075583516.db2.gz	ZWCOOCKOZLCYSI-HXUWFJFHSA-N	1	1	424.549	1.303	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446851405	1075586768	/nfs/dbraw/zinc/58/67/68/1075586768.db2.gz	CFZSWHFZAUQKDA-HXUWFJFHSA-N	1	1	418.501	1.998	20	0		HDADMO
CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732033102	1075592157	/nfs/dbraw/zinc/59/21/57/1075592157.db2.gz	AYTZDKHKOIKYBT-HNNXBMFYSA-N	1	1	411.499	1.155	20	0		HDADMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC000429102931	1075600257	/nfs/dbraw/zinc/60/02/57/1075600257.db2.gz	MFPRWYZNDCJQSX-HOCLYGCPSA-N	1	1	422.489	2.334	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccn(CC(=O)N(C)C)n1	ZINC000595434249	1075602478	/nfs/dbraw/zinc/60/24/78/1075602478.db2.gz	MVIKVDMTELDYPY-QGZVFWFLSA-N	1	1	413.522	2.477	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C	ZINC000804178925	1075604670	/nfs/dbraw/zinc/60/46/70/1075604670.db2.gz	ZQXFYGNTVBUORP-NVXWUHKLSA-N	1	1	408.543	1.445	20	0		HDADMO
CN(CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C	ZINC000804178675	1075606211	/nfs/dbraw/zinc/60/62/11/1075606211.db2.gz	UYADVOSEADWDJY-SFHVURJKSA-N	1	1	418.538	1.608	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)[NH+]2CCCC2)o1	ZINC000804176450	1075608575	/nfs/dbraw/zinc/60/85/75/1075608575.db2.gz	OSJBPAVUQFWSNC-IAGOWNOFSA-N	1	1	405.495	1.595	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCOc3ncccc3C(F)(F)F)CC2)C1	ZINC000676610911	1075614680	/nfs/dbraw/zinc/61/46/80/1075614680.db2.gz	GPAPSNIJEPDDMS-OAHLLOKOSA-N	1	1	415.460	1.901	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1	ZINC000676615436	1075616814	/nfs/dbraw/zinc/61/68/14/1075616814.db2.gz	QGFBROXRPMOUDU-UHFFFAOYSA-N	1	1	408.453	1.512	20	0		HDADMO
COC(=O)[C@H]1CC[N@H+](Cc2nc(N)nc(Nc3ccccc3OC)n2)[C@H]1C(C)C	ZINC000429395790	1075616967	/nfs/dbraw/zinc/61/69/67/1075616967.db2.gz	DAZYJJNQBXSODB-GUYCJALGSA-N	1	1	400.483	1.647	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](Cc2nc(N)nc(Nc3ccccc3OC)n2)[C@H]1C(C)C	ZINC000429395790	1075616978	/nfs/dbraw/zinc/61/69/78/1075616978.db2.gz	DAZYJJNQBXSODB-GUYCJALGSA-N	1	1	400.483	1.647	20	0		HDADMO
C/C(=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1cccc(F)c1	ZINC000732078447	1075617303	/nfs/dbraw/zinc/61/73/03/1075617303.db2.gz	FSOGKJHNFKPBHM-SDXDJHTJSA-N	1	1	416.541	1.926	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1	ZINC000804181328	1075620246	/nfs/dbraw/zinc/62/02/46/1075620246.db2.gz	HZTFDAQWDUPCSA-FUHWJXTLSA-N	1	1	418.538	1.749	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1	ZINC000676631272	1075624885	/nfs/dbraw/zinc/62/48/85/1075624885.db2.gz	PJGXDNQHMFYIRN-GFCCVEGCSA-N	1	1	415.460	1.640	20	0		HDADMO
C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000676634225	1075626159	/nfs/dbraw/zinc/62/61/59/1075626159.db2.gz	XVKQHIHJSLLYHS-FQEVSTJZSA-N	1	1	422.485	1.888	20	0		HDADMO
CCOc1ccc(N2C[C@@H](C(=O)N(C)CCC[NH+]3CCN(C)CC3)CC2=O)cc1	ZINC000732115254	1075628217	/nfs/dbraw/zinc/62/82/17/1075628217.db2.gz	VWWLJPSLYGJLQT-SFHVURJKSA-N	1	1	402.539	1.534	20	0		HDADMO
CCOc1ccc(N2C[C@H](C(=O)N(C)CCC[NH+]3CCN(C)CC3)CC2=O)cc1	ZINC000732115253	1075628222	/nfs/dbraw/zinc/62/82/22/1075628222.db2.gz	VWWLJPSLYGJLQT-GOSISDBHSA-N	1	1	402.539	1.534	20	0		HDADMO
C[C@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[N@@H+](C)Cc1ccccc1	ZINC000732133990	1075632715	/nfs/dbraw/zinc/63/27/15/1075632715.db2.gz	KMHRPTWFTOPGAK-OAHLLOKOSA-N	1	1	401.488	1.468	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1	ZINC000485864353	1075636171	/nfs/dbraw/zinc/63/61/71/1075636171.db2.gz	QPKQECICDJZCEF-OLZOCXBDSA-N	1	1	403.483	1.597	20	0		HDADMO
CN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1C[NH+]2CCC1CC2	ZINC000732159385	1075641840	/nfs/dbraw/zinc/64/18/40/1075641840.db2.gz	HBQILAFEBOKEDG-SECBINFHSA-N	1	1	408.343	1.324	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O	ZINC000732149807	1075649381	/nfs/dbraw/zinc/64/93/81/1075649381.db2.gz	QSDAVOBOYCDPTH-KRWDZBQOSA-N	1	1	407.474	1.067	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCc3ccccc3[C@@H]2C(N)=O)CC1	ZINC000676704042	1075655835	/nfs/dbraw/zinc/65/58/35/1075655835.db2.gz	LBGMIONYHSZRSM-WZONZLPQSA-N	1	1	406.530	1.977	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1	ZINC001545676609	1075656688	/nfs/dbraw/zinc/65/66/88/1075656688.db2.gz	GWBOIQMJTBLTNM-INIZCTEOSA-N	1	1	402.547	1.196	20	0		HDADMO
COC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1	ZINC000676723498	1075659538	/nfs/dbraw/zinc/65/95/38/1075659538.db2.gz	WZDKZHQXTJJRFB-LJQANCHMSA-N	1	1	417.550	1.403	20	0		HDADMO
COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1	ZINC000676724677	1075660744	/nfs/dbraw/zinc/66/07/44/1075660744.db2.gz	FWAMGFWRRPLZML-GOSISDBHSA-N	1	1	415.538	1.445	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)CC1	ZINC000732180882	1075662583	/nfs/dbraw/zinc/66/25/83/1075662583.db2.gz	REPNSRXRKLIXRL-JOCHJYFZSA-N	1	1	400.523	1.554	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732211566	1075667976	/nfs/dbraw/zinc/66/79/76/1075667976.db2.gz	WFYOPYRIFJBXHJ-LJQANCHMSA-N	1	1	404.555	1.324	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc32)C1	ZINC000488905008	1075668348	/nfs/dbraw/zinc/66/83/48/1075668348.db2.gz	VWTZHRWFSZDVBX-HIFRSBDPSA-N	1	1	403.870	1.627	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc32)C1	ZINC000488905008	1075668351	/nfs/dbraw/zinc/66/83/51/1075668351.db2.gz	VWTZHRWFSZDVBX-HIFRSBDPSA-N	1	1	403.870	1.627	20	0		HDADMO
CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1	ZINC000676747578	1075669815	/nfs/dbraw/zinc/66/98/15/1075669815.db2.gz	HVEWWZCSSMCOEW-MAUKXSAKSA-N	1	1	422.551	1.007	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1	ZINC000732204781	1075676192	/nfs/dbraw/zinc/67/61/92/1075676192.db2.gz	RXDJIOYBUVKSFZ-UHFFFAOYSA-N	1	1	414.531	1.616	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1	ZINC000732238818	1075676902	/nfs/dbraw/zinc/67/69/02/1075676902.db2.gz	SKLMXTPMOVIEFP-HNNXBMFYSA-N	1	1	403.310	1.536	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000732249736	1075680162	/nfs/dbraw/zinc/68/01/62/1075680162.db2.gz	SKVDUIGTFZUDAU-INIZCTEOSA-N	1	1	419.551	1.337	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1	ZINC000732254085	1075680555	/nfs/dbraw/zinc/68/05/55/1075680555.db2.gz	SINCTXXKOZVIPP-PBHICJAKSA-N	1	1	411.344	1.778	20	0		HDADMO
O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1ccccc1CN1C(=O)CNC1=O	ZINC000732232452	1075684723	/nfs/dbraw/zinc/68/47/23/1075684723.db2.gz	CUPQTEMSVMBJQQ-INIZCTEOSA-N	1	1	403.483	1.097	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(CN2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1	ZINC000471157991	1075685537	/nfs/dbraw/zinc/68/55/37/1075685537.db2.gz	AVHLZTLPOYUVLJ-GOSISDBHSA-N	1	1	410.570	1.394	20	0		HDADMO
C[NH+]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)CC1	ZINC000732257730	1075688695	/nfs/dbraw/zinc/68/86/95/1075688695.db2.gz	ZZJCAMLKFUTEPU-VBKFSLOCSA-N	1	1	422.938	1.740	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@H+](C)C2(CO)CCC2)c1	ZINC000429256109	1075690190	/nfs/dbraw/zinc/69/01/90/1075690190.db2.gz	PLBMFERBJHMSLB-UHFFFAOYSA-N	1	1	413.540	1.511	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@@H+](C)C2(CO)CCC2)c1	ZINC000429256109	1075690196	/nfs/dbraw/zinc/69/01/96/1075690196.db2.gz	PLBMFERBJHMSLB-UHFFFAOYSA-N	1	1	413.540	1.511	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C[C@H](C)[N@H+](C)C[C@H]2C)CC1	ZINC000509435347	1075691061	/nfs/dbraw/zinc/69/10/61/1075691061.db2.gz	JPCKLFNYDBNTSI-VQTJNVASSA-N	1	1	415.582	1.411	20	0		HDADMO
CCO[C@H]1C[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C12CCCCC2	ZINC000429464428	1075693092	/nfs/dbraw/zinc/69/30/92/1075693092.db2.gz	VXUYCXIUPGQNCP-PMACEKPBSA-N	1	1	410.603	1.804	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC[N@@H+]1CCO	ZINC000547665858	1075698446	/nfs/dbraw/zinc/69/84/46/1075698446.db2.gz	JCLGHIDQJWAYHR-GFCCVEGCSA-N	1	1	411.528	2.500	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC[N@H+]1CCO	ZINC000547665858	1075698449	/nfs/dbraw/zinc/69/84/49/1075698449.db2.gz	JCLGHIDQJWAYHR-GFCCVEGCSA-N	1	1	411.528	2.500	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000486225694	1075698802	/nfs/dbraw/zinc/69/88/02/1075698802.db2.gz	LLPXMWVGUYMXKV-DNVCBOLYSA-N	1	1	409.538	1.522	20	0		HDADMO
Cn1c2cc(C[N@H+]3CC[C@@H]4CCN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)C[C@@H]43)ccc2oc1=O	ZINC001084993074	1075699208	/nfs/dbraw/zinc/69/92/08/1075699208.db2.gz	KJWRTJSLAAAMFD-PWXSHGHYSA-N	1	1	423.513	1.978	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)NCc3nncn3C3CC3)c2)C[C@H](C)O1	ZINC000429468080	1075699553	/nfs/dbraw/zinc/69/95/53/1075699553.db2.gz	JYNATBGYTSFQHU-GASCZTMLSA-N	1	1	412.494	1.477	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)NCc3nncn3C3CC3)c2)C[C@H](C)O1	ZINC000429468080	1075699556	/nfs/dbraw/zinc/69/95/56/1075699556.db2.gz	JYNATBGYTSFQHU-GASCZTMLSA-N	1	1	412.494	1.477	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509437665	1075700115	/nfs/dbraw/zinc/70/01/15/1075700115.db2.gz	KRAISBNYWKJXMD-UYAOXDASSA-N	1	1	402.539	1.197	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](COC)C1	ZINC001545675535	1075701090	/nfs/dbraw/zinc/70/10/90/1075701090.db2.gz	ZRZIEDGWKAVPHQ-IEBWSBKVSA-N	1	1	402.543	1.846	20	0		HDADMO
COc1cc2[nH+]c(NCC(=O)N3CCN(c4ccccc4)CC3)nc(N)c2cc1OC	ZINC000500454214	1075701854	/nfs/dbraw/zinc/70/18/54/1075701854.db2.gz	CMYGVIFBYWPQDT-UHFFFAOYSA-N	1	1	422.489	1.412	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C[C@H](C)O1	ZINC000438772135	1075703341	/nfs/dbraw/zinc/70/33/41/1075703341.db2.gz	LXCMXFOLYCVFFZ-ZIFCJYIRSA-N	1	1	411.506	1.911	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C[C@H](C)O1	ZINC000438772135	1075703347	/nfs/dbraw/zinc/70/33/47/1075703347.db2.gz	LXCMXFOLYCVFFZ-ZIFCJYIRSA-N	1	1	411.506	1.911	20	0		HDADMO
COc1cc2[nH+]c(N3CCC[C@@H](N4CCCS4(=O)=O)C3)nc(N)c2cc1OC	ZINC000432925328	1075705261	/nfs/dbraw/zinc/70/52/61/1075705261.db2.gz	BXQCNZRAOCZDKJ-GFCCVEGCSA-N	1	1	407.496	1.234	20	0		HDADMO
COc1cc2[nH+]c(N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)nc(N)c2cc1OC	ZINC000557716694	1075705864	/nfs/dbraw/zinc/70/58/64/1075705864.db2.gz	YLDYVFREMOASJV-APBUJDDRSA-N	1	1	400.439	1.186	20	0		HDADMO
COc1cc2[nH+]c(N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)nc(N)c2cc1OC	ZINC000557716699	1075705913	/nfs/dbraw/zinc/70/59/13/1075705913.db2.gz	YLDYVFREMOASJV-OVWNDWIMSA-N	1	1	400.439	1.186	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1	ZINC000475830090	1075710542	/nfs/dbraw/zinc/71/05/42/1075710542.db2.gz	ITULJLNTNDJXNW-AYHJJNSGSA-N	1	1	411.510	1.683	20	0		HDADMO
CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509440636	1075711833	/nfs/dbraw/zinc/71/18/33/1075711833.db2.gz	SNCLPLMCLHWEDM-CEXWTWQISA-N	1	1	402.539	1.339	20	0		HDADMO
Nc1nc(=NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc2[nH][nH]cc1-2	ZINC000546887532	1075715469	/nfs/dbraw/zinc/71/54/69/1075715469.db2.gz	SLYUUUPCSZVDNK-UHFFFAOYSA-N	1	1	402.300	2.148	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1CCO	ZINC000509438655	1075715981	/nfs/dbraw/zinc/71/59/81/1075715981.db2.gz	NAWKMCXGLYGTLH-UYAOXDASSA-N	1	1	402.539	1.077	20	0		HDADMO
C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000512461890	1075716954	/nfs/dbraw/zinc/71/69/54/1075716954.db2.gz	GJQDOMCMRBQNRI-IEBWSBKVSA-N	1	1	410.570	1.473	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1	ZINC000509254534	1075724848	/nfs/dbraw/zinc/72/48/48/1075724848.db2.gz	BKAPJVZNAYHNCC-CVEARBPZSA-N	1	1	414.597	1.742	20	0		HDADMO
Cn1nc(NC(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1C1CC1	ZINC000582755754	1075726974	/nfs/dbraw/zinc/72/69/74/1075726974.db2.gz	LFXJHAASWUPRLA-UHFFFAOYSA-N	1	1	409.534	2.403	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)nc2ccccc12	ZINC000485546176	1075727682	/nfs/dbraw/zinc/72/76/82/1075727682.db2.gz	GBZGVNDCXWKBNJ-RTBURBONSA-N	1	1	409.538	1.666	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC2)nc2ccccc12	ZINC000461799071	1075728846	/nfs/dbraw/zinc/72/88/46/1075728846.db2.gz	PEQAHQKJMWQYBZ-UHFFFAOYSA-N	1	1	421.505	1.754	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C1CC1	ZINC000573049470	1075729033	/nfs/dbraw/zinc/72/90/33/1075729033.db2.gz	RFJAKQIOYCWZKO-KDOFPFPSSA-N	1	1	401.536	2.497	20	0		HDADMO
O=C(CN1C(=O)CCc2ccccc21)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000732374542	1075729456	/nfs/dbraw/zinc/72/94/56/1075729456.db2.gz	NJOHGYFKCKVHRF-UHFFFAOYSA-N	1	1	421.497	1.853	20	0		HDADMO
CO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1C	ZINC000509442912	1075734435	/nfs/dbraw/zinc/73/44/35/1075734435.db2.gz	VJFOSVILNARILR-CMKODMSKSA-N	1	1	402.539	1.197	20	0		HDADMO
Cn1nc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC(F)F	ZINC000445161842	1075737434	/nfs/dbraw/zinc/73/74/34/1075737434.db2.gz	FWQCLCXOHGYOGT-OAHLLOKOSA-N	1	1	409.437	2.300	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	ZINC000509443149	1075738764	/nfs/dbraw/zinc/73/87/64/1075738764.db2.gz	XQRAMSBAVZVPQK-WLRLJWMZSA-N	1	1	414.550	1.387	20	0		HDADMO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732412991	1075739164	/nfs/dbraw/zinc/73/91/64/1075739164.db2.gz	NVFMCFSBNFUOKB-WOJBJXKFSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732412991	1075739167	/nfs/dbraw/zinc/73/91/67/1075739167.db2.gz	NVFMCFSBNFUOKB-WOJBJXKFSA-N	1	1	413.518	1.590	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=O)NCCN3CCO[C@@H](C)C3)CC2)cs1	ZINC000732457643	1075749368	/nfs/dbraw/zinc/74/93/68/1075749368.db2.gz	JKWLCMRTQGUJNH-INIZCTEOSA-N	1	1	409.600	1.937	20	0		HDADMO
CC[C@H](c1nn(CN2CCNC(=O)C2)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C	ZINC000732461077	1075750510	/nfs/dbraw/zinc/75/05/10/1075750510.db2.gz	MLCDAKIZGMFMLH-MRXNPFEDSA-N	1	1	404.540	1.814	20	0		HDADMO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509265730	1075758680	/nfs/dbraw/zinc/75/86/80/1075758680.db2.gz	BFURHPKCMBGQOZ-GJZGRUSLSA-N	1	1	400.570	1.352	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1	ZINC000560836138	1075759704	/nfs/dbraw/zinc/75/97/04/1075759704.db2.gz	YWYBAMMSFNDKPG-GOSISDBHSA-N	1	1	407.522	1.641	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1	ZINC000560836138	1075759707	/nfs/dbraw/zinc/75/97/07/1075759707.db2.gz	YWYBAMMSFNDKPG-GOSISDBHSA-N	1	1	407.522	1.641	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000574126047	1075763130	/nfs/dbraw/zinc/76/31/30/1075763130.db2.gz	VLHRTTSQGQJIMJ-KXBFYZLASA-N	1	1	411.506	1.642	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000574126047	1075763131	/nfs/dbraw/zinc/76/31/31/1075763131.db2.gz	VLHRTTSQGQJIMJ-KXBFYZLASA-N	1	1	411.506	1.642	20	0		HDADMO
CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000732490429	1075764803	/nfs/dbraw/zinc/76/48/03/1075764803.db2.gz	BJQFJZLFUMVUFK-SFHVURJKSA-N	1	1	410.946	1.944	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000555813886	1075768605	/nfs/dbraw/zinc/76/86/05/1075768605.db2.gz	GAJHPJQMGMZETM-JXFKEZNVSA-N	1	1	421.505	2.288	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000555813886	1075768613	/nfs/dbraw/zinc/76/86/13/1075768613.db2.gz	GAJHPJQMGMZETM-JXFKEZNVSA-N	1	1	421.505	2.288	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C)C1CC1	ZINC000804224462	1075776362	/nfs/dbraw/zinc/77/63/62/1075776362.db2.gz	QCTHCIKDQJHXOS-NVXWUHKLSA-N	1	1	410.559	1.739	20	0		HDADMO
CC(=O)N1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)Oc2ccccc21	ZINC000732558415	1075785307	/nfs/dbraw/zinc/78/53/07/1075785307.db2.gz	AHHMUHHSGXKLBY-RXVVDRJESA-N	1	1	400.523	1.427	20	0		HDADMO
CC(=O)N1C[C@@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)Oc2ccccc21	ZINC000732558415	1075785308	/nfs/dbraw/zinc/78/53/08/1075785308.db2.gz	AHHMUHHSGXKLBY-RXVVDRJESA-N	1	1	400.523	1.427	20	0		HDADMO
CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732560230	1075785976	/nfs/dbraw/zinc/78/59/76/1075785976.db2.gz	WSWMTPJRYURKOE-LJQANCHMSA-N	1	1	414.550	1.819	20	0		HDADMO
CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732560230	1075785980	/nfs/dbraw/zinc/78/59/80/1075785980.db2.gz	WSWMTPJRYURKOE-LJQANCHMSA-N	1	1	414.550	1.819	20	0		HDADMO
CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565402	1075789648	/nfs/dbraw/zinc/78/96/48/1075789648.db2.gz	YPGRYKTWXQSMDK-KRWDZBQOSA-N	1	1	420.941	1.692	20	0		HDADMO
CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565402	1075789651	/nfs/dbraw/zinc/78/96/51/1075789651.db2.gz	YPGRYKTWXQSMDK-KRWDZBQOSA-N	1	1	420.941	1.692	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509271362	1075792302	/nfs/dbraw/zinc/79/23/02/1075792302.db2.gz	CSIFEXKBQTWNSV-OWCLPIDISA-N	1	1	414.597	1.740	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1	ZINC000478716630	1075795725	/nfs/dbraw/zinc/79/57/25/1075795725.db2.gz	BADQCDHUIPBNPH-INIZCTEOSA-N	1	1	405.547	1.875	20	0		HDADMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ncn(CC(=O)N(C)C)n3)cc2)C1	ZINC000473999795	1075797736	/nfs/dbraw/zinc/79/77/36/1075797736.db2.gz	JYGLTOROOIHCJE-INIZCTEOSA-N	1	1	413.526	1.920	20	0		HDADMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1	ZINC001129307347	1075800369	/nfs/dbraw/zinc/80/03/69/1075800369.db2.gz	WXWITQCVCVDJLT-MOPGFXCFSA-N	1	1	402.539	1.312	20	0		HDADMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1	ZINC001129307347	1075800374	/nfs/dbraw/zinc/80/03/74/1075800374.db2.gz	WXWITQCVCVDJLT-MOPGFXCFSA-N	1	1	402.539	1.312	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccn(-c3cccc(F)c3)n2)C1	ZINC000143005648	1075801606	/nfs/dbraw/zinc/80/16/06/1075801606.db2.gz	IHAWCZPGHYEWJE-SFHVURJKSA-N	1	1	418.469	1.641	20	0		HDADMO
CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1	ZINC001063827457	1075802650	/nfs/dbraw/zinc/80/26/50/1075802650.db2.gz	HVKSOLSONBOQLJ-YYXZMQKJSA-N	1	1	400.523	1.975	20	0		HDADMO
CCN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C	ZINC000804254188	1075806855	/nfs/dbraw/zinc/80/68/55/1075806855.db2.gz	ASBXEHKTLFDMDY-AEFFLSMTSA-N	1	1	422.570	1.835	20	0		HDADMO
CCN(CC)C(=O)CN1CCC[N@@H+](CCc2c(C)nc3sccn3c2=O)CC1	ZINC000509278611	1075813078	/nfs/dbraw/zinc/81/30/78/1075813078.db2.gz	IGKKOYORNASPOG-UHFFFAOYSA-N	1	1	405.568	1.483	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(CCc2c(C)nc3sccn3c2=O)CC1	ZINC000509278611	1075813081	/nfs/dbraw/zinc/81/30/81/1075813081.db2.gz	IGKKOYORNASPOG-UHFFFAOYSA-N	1	1	405.568	1.483	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(CCc2c(C)nc3sccn3c2=O)CC1	ZINC000509278611	1075813085	/nfs/dbraw/zinc/81/30/85/1075813085.db2.gz	IGKKOYORNASPOG-UHFFFAOYSA-N	1	1	405.568	1.483	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1	ZINC000732633309	1075820363	/nfs/dbraw/zinc/82/03/63/1075820363.db2.gz	IDDBZTZPWOGJJO-GOSISDBHSA-N	1	1	408.449	1.565	20	0		HDADMO
C[C@@H](F)CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000509279760	1075820597	/nfs/dbraw/zinc/82/05/97/1075820597.db2.gz	PNIZIDKDCGXPME-CYBMUJFWSA-N	1	1	421.922	1.979	20	0		HDADMO
C[C@@H](F)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000509279760	1075820600	/nfs/dbraw/zinc/82/06/00/1075820600.db2.gz	PNIZIDKDCGXPME-CYBMUJFWSA-N	1	1	421.922	1.979	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)C1	ZINC000490375357	1075824612	/nfs/dbraw/zinc/82/46/12/1075824612.db2.gz	QATWGKKRRJFPAZ-OAHLLOKOSA-N	1	1	419.913	1.937	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2I)C[C@H]1C	ZINC000611100796	1075833255	/nfs/dbraw/zinc/83/32/55/1075833255.db2.gz	QWWSNCVEWRGBMY-SNVBAGLBSA-N	1	1	419.238	1.921	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2I)C[C@H]1C	ZINC000611100796	1075833262	/nfs/dbraw/zinc/83/32/62/1075833262.db2.gz	QWWSNCVEWRGBMY-SNVBAGLBSA-N	1	1	419.238	1.921	20	0		HDADMO
CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N3CC[N@H+](CC)[C@@H](C)C3)ccc21	ZINC000611100857	1075833352	/nfs/dbraw/zinc/83/33/52/1075833352.db2.gz	SHTSUJOBPAURMC-HNNXBMFYSA-N	1	1	400.479	1.696	20	0		HDADMO
CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N3CC[N@@H+](CC)[C@@H](C)C3)ccc21	ZINC000611100857	1075833356	/nfs/dbraw/zinc/83/33/56/1075833356.db2.gz	SHTSUJOBPAURMC-HNNXBMFYSA-N	1	1	400.479	1.696	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCNc2nc3ccccc3s2)C1	ZINC000465951669	1075842026	/nfs/dbraw/zinc/84/20/26/1075842026.db2.gz	NYWDBXZHMCDPTH-AWEZNQCLSA-N	1	1	404.540	1.595	20	0		HDADMO
CC(C)N1C[C@H](Nc2cc(N[C@@H]3CC(=O)N(C(C)C)C3)c3ccncc3[nH+]2)CC1=O	ZINC000550388327	1075848761	/nfs/dbraw/zinc/84/87/61/1075848761.db2.gz	SUYPLHAFNZUIGR-HZPDHXFCSA-N	1	1	410.522	2.472	20	0		HDADMO
CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cncc(I)c3)C2)CC1	ZINC000611134786	1075849771	/nfs/dbraw/zinc/84/97/71/1075849771.db2.gz	VBTBVLXZZVGEEC-AWEZNQCLSA-N	1	1	414.291	1.585	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)c3cncc(I)c3)C2)CC1	ZINC000611134786	1075849775	/nfs/dbraw/zinc/84/97/75/1075849775.db2.gz	VBTBVLXZZVGEEC-AWEZNQCLSA-N	1	1	414.291	1.585	20	0		HDADMO
O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000437848493	1075862147	/nfs/dbraw/zinc/86/21/47/1075862147.db2.gz	NUQBHJYIPXWXMK-OAHLLOKOSA-N	1	1	414.510	2.296	20	0		HDADMO
COCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732807535	1075863089	/nfs/dbraw/zinc/86/30/89/1075863089.db2.gz	QCNAGZOGHQWYAO-IBGZPJMESA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000732807535	1075863093	/nfs/dbraw/zinc/86/30/93/1075863093.db2.gz	QCNAGZOGHQWYAO-IBGZPJMESA-N	1	1	403.523	1.805	20	0		HDADMO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)CC1	ZINC000732780559	1075864103	/nfs/dbraw/zinc/86/41/03/1075864103.db2.gz	KURAKVUDVNTSMU-MRXNPFEDSA-N	1	1	424.542	1.165	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)CC1	ZINC000732780559	1075864106	/nfs/dbraw/zinc/86/41/06/1075864106.db2.gz	KURAKVUDVNTSMU-MRXNPFEDSA-N	1	1	424.542	1.165	20	0		HDADMO
CCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2=O)cc1	ZINC000732781521	1075864730	/nfs/dbraw/zinc/86/47/30/1075864730.db2.gz	RMTKEGHYZRWMPA-QZTJIDSGSA-N	1	1	414.550	1.723	20	0		HDADMO
CCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2=O)cc1	ZINC000732781521	1075864734	/nfs/dbraw/zinc/86/47/34/1075864734.db2.gz	RMTKEGHYZRWMPA-QZTJIDSGSA-N	1	1	414.550	1.723	20	0		HDADMO
CCc1ccc([C@]2(CC)NC(=O)N(C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)C2=O)cc1	ZINC000489106326	1075867262	/nfs/dbraw/zinc/86/72/62/1075867262.db2.gz	USEPYQYRNNLZOG-WBTYWQJWSA-N	1	1	403.523	1.876	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732807926	1075870278	/nfs/dbraw/zinc/87/02/78/1075870278.db2.gz	XIWWCJKAGAAMHG-LJQANCHMSA-N	1	1	404.555	1.324	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732807926	1075870282	/nfs/dbraw/zinc/87/02/82/1075870282.db2.gz	XIWWCJKAGAAMHG-LJQANCHMSA-N	1	1	404.555	1.324	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732809114	1075870769	/nfs/dbraw/zinc/87/07/69/1075870769.db2.gz	REQSCCMEOFKFOK-RTBURBONSA-N	1	1	414.550	1.906	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732809114	1075870772	/nfs/dbraw/zinc/87/07/72/1075870772.db2.gz	REQSCCMEOFKFOK-RTBURBONSA-N	1	1	414.550	1.906	20	0		HDADMO
COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810348	1075871343	/nfs/dbraw/zinc/87/13/43/1075871343.db2.gz	LOETWIVCKPOATA-OLZOCXBDSA-N	1	1	406.401	1.539	20	0		HDADMO
COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810352	1075871442	/nfs/dbraw/zinc/87/14/42/1075871442.db2.gz	LOETWIVCKPOATA-STQMWFEESA-N	1	1	406.401	1.539	20	0		HDADMO
COc1ccc(CCN2C(=O)C[C@H]([N@@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000732818483	1075878307	/nfs/dbraw/zinc/87/83/07/1075878307.db2.gz	DVNBYGOFGSLMHI-ICSRJNTNSA-N	1	1	413.518	1.842	20	0		HDADMO
COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000732818483	1075878317	/nfs/dbraw/zinc/87/83/17/1075878317.db2.gz	DVNBYGOFGSLMHI-ICSRJNTNSA-N	1	1	413.518	1.842	20	0		HDADMO
COCCOCCN1C(=O)C[C@H]([NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1=O	ZINC000732819515	1075878870	/nfs/dbraw/zinc/87/88/70/1075878870.db2.gz	YVWDULJVGUPYQI-INIZCTEOSA-N	1	1	413.515	1.108	20	0		HDADMO
CN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732833564	1075881471	/nfs/dbraw/zinc/88/14/71/1075881471.db2.gz	AULVPDFLNAMJCJ-KRWDZBQOSA-N	1	1	412.456	1.669	20	0		HDADMO
COC(=O)[C@@]1(NCCCN2C(=O)NC(C)(C)C2=O)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611266028	1075888958	/nfs/dbraw/zinc/88/89/58/1075888958.db2.gz	ISPJWFKXIPYUPI-JOCHJYFZSA-N	1	1	416.522	1.504	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)NC(=O)NC(C)(C)C)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265831	1075889231	/nfs/dbraw/zinc/88/92/31/1075889231.db2.gz	JQADTBDHQQNHIT-NRFANRHFSA-N	1	1	404.511	1.408	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)NC(=O)NC(C)(C)C)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265831	1075889238	/nfs/dbraw/zinc/88/92/38/1075889238.db2.gz	JQADTBDHQQNHIT-NRFANRHFSA-N	1	1	404.511	1.408	20	0		HDADMO
COC(=O)C1CCC(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)(C(=O)OC)CC1	ZINC000611284399	1075892423	/nfs/dbraw/zinc/89/24/23/1075892423.db2.gz	SHJOESFNFXGSNH-UHFFFAOYSA-N	1	1	417.506	1.998	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)cc2)C[C@@H](C)O1	ZINC000732895500	1075896146	/nfs/dbraw/zinc/89/61/46/1075896146.db2.gz	BGTCUOQFLBDEMH-HZPDHXFCSA-N	1	1	406.552	1.404	20	0		HDADMO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732871395	1075901889	/nfs/dbraw/zinc/90/18/89/1075901889.db2.gz	HBRPJBQTSUEHAY-VQTJNVASSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732871395	1075901893	/nfs/dbraw/zinc/90/18/93/1075901893.db2.gz	HBRPJBQTSUEHAY-VQTJNVASSA-N	1	1	413.518	1.590	20	0		HDADMO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2)CC1	ZINC000732871997	1075902193	/nfs/dbraw/zinc/90/21/93/1075902193.db2.gz	QKAWUBZNXZIHRT-YADHBBJMSA-N	1	1	415.582	1.298	20	0		HDADMO
CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+]([C@@H]3CCOC3)CC1)CCC2	ZINC000611348791	1075913395	/nfs/dbraw/zinc/91/33/95/1075913395.db2.gz	IQIOZTMSBKUAPK-CQSZACIVSA-N	1	1	407.536	1.759	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1	ZINC000611401385	1075925377	/nfs/dbraw/zinc/92/53/77/1075925377.db2.gz	PZUZNWPHTFNILG-OAHLLOKOSA-N	1	1	401.463	1.159	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1	ZINC000611401385	1075925382	/nfs/dbraw/zinc/92/53/82/1075925382.db2.gz	PZUZNWPHTFNILG-OAHLLOKOSA-N	1	1	401.463	1.159	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@H](C)C1	ZINC000611401337	1075925780	/nfs/dbraw/zinc/92/57/80/1075925780.db2.gz	CFBSFXFFHLTFER-YLJYHZDGSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@H](C)C1	ZINC000611401337	1075925782	/nfs/dbraw/zinc/92/57/82/1075925782.db2.gz	CFBSFXFFHLTFER-YLJYHZDGSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1C	ZINC000611457276	1075938894	/nfs/dbraw/zinc/93/88/94/1075938894.db2.gz	PSSPARKFKZLZPN-CQSZACIVSA-N	1	1	409.508	1.495	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000732989960	1075941314	/nfs/dbraw/zinc/94/13/14/1075941314.db2.gz	YHIBPWVKTFCOIV-VUVCFOEZSA-N	1	1	411.568	1.841	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000732989961	1075941397	/nfs/dbraw/zinc/94/13/97/1075941397.db2.gz	YHIBPWVKTFCOIV-ZCQLHAAUSA-N	1	1	411.568	1.841	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C3CCS(=O)(=O)CC3)CC2)cc1	ZINC000733029766	1075946304	/nfs/dbraw/zinc/94/63/04/1075946304.db2.gz	QUVASXZNIJYOOT-UHFFFAOYSA-N	1	1	422.547	1.397	20	0		HDADMO
CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611516027	1075953157	/nfs/dbraw/zinc/95/31/57/1075953157.db2.gz	NVNSWZKUQHISRP-SFHVURJKSA-N	1	1	407.580	1.382	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)ccc1N1C(=O)CCC1=O	ZINC000733047169	1075954123	/nfs/dbraw/zinc/95/41/23/1075954123.db2.gz	HAAUCFCKVDPAQK-UHFFFAOYSA-N	1	1	400.479	1.530	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc(Cc3ccccc3)no2)CC1=O	ZINC000733139822	1075973126	/nfs/dbraw/zinc/97/31/26/1075973126.db2.gz	SEUHXPHOSRBTDL-MSOLQXFVSA-N	1	1	411.506	1.609	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc(Cc3ccccc3)no2)CC1=O	ZINC000733139832	1075973429	/nfs/dbraw/zinc/97/34/29/1075973429.db2.gz	SEUHXPHOSRBTDL-ZWKOTPCHSA-N	1	1	411.506	1.609	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)N(CCO)CCN2CCOCC2)CC[N@H+]1Cc1ccccc1	ZINC000491425121	1075975476	/nfs/dbraw/zinc/97/54/76/1075975476.db2.gz	WBGNHFBYFKAZOK-PZJWPPBQSA-N	1	1	404.555	1.376	20	0		HDADMO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)CC1=O	ZINC000733128542	1075979168	/nfs/dbraw/zinc/97/91/68/1075979168.db2.gz	VMACKEXAJPQBGW-OALUTQOASA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)CC1=O	ZINC000733128542	1075979172	/nfs/dbraw/zinc/97/91/72/1075979172.db2.gz	VMACKEXAJPQBGW-OALUTQOASA-N	1	1	413.566	1.710	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)c2C)no1	ZINC000509548742	1075988115	/nfs/dbraw/zinc/98/81/15/1075988115.db2.gz	JDJCBNOBFZEKFX-UHFFFAOYSA-N	1	1	424.509	1.268	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1	ZINC000733164349	1075997400	/nfs/dbraw/zinc/99/74/00/1075997400.db2.gz	PVKGEUJYDBZPQN-UHFFFAOYSA-N	1	1	412.556	1.162	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1	ZINC000733164349	1075997404	/nfs/dbraw/zinc/99/74/04/1075997404.db2.gz	PVKGEUJYDBZPQN-UHFFFAOYSA-N	1	1	412.556	1.162	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000733170755	1076000557	/nfs/dbraw/zinc/00/05/57/1076000557.db2.gz	RQDVEATVEFYMIC-CVEARBPZSA-N	1	1	400.589	1.686	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1	ZINC000733170474	1076001097	/nfs/dbraw/zinc/00/10/97/1076001097.db2.gz	NKIVYSGECHKPGW-HNNXBMFYSA-N	1	1	414.547	1.079	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C[C@H](C)O1	ZINC000512458129	1076002634	/nfs/dbraw/zinc/00/26/34/1076002634.db2.gz	XZHKQDGPSOEYSB-CBJLPSGESA-N	1	1	416.610	1.349	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C[C@H](C)O1	ZINC000512458129	1076002641	/nfs/dbraw/zinc/00/26/41/1076002641.db2.gz	XZHKQDGPSOEYSB-CBJLPSGESA-N	1	1	416.610	1.349	20	0		HDADMO
COC(=O)CCN(CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)C(C)C	ZINC000733185383	1076012450	/nfs/dbraw/zinc/01/24/50/1076012450.db2.gz	YWXPRMDFGNVREB-QFIPXVFZSA-N	1	1	416.522	1.804	20	0		HDADMO
c1cc(N2CCCC2)nc(N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)[nH+]1	ZINC000733192429	1076013407	/nfs/dbraw/zinc/01/34/07/1076013407.db2.gz	YYQITFOSBNSLOA-KRWDZBQOSA-N	1	1	410.526	1.784	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)no1	ZINC000514015419	1076015167	/nfs/dbraw/zinc/01/51/67/1076015167.db2.gz	KJHBIAHWGPCUKX-KBRIMQKVSA-N	1	1	404.515	1.247	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001081958283	1076018793	/nfs/dbraw/zinc/01/87/93/1076018793.db2.gz	FYLRBHLSYKHQFZ-XBJCXQGOSA-N	1	1	400.519	1.890	20	0		HDADMO
COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](OC)C1	ZINC001081958355	1076018815	/nfs/dbraw/zinc/01/88/15/1076018815.db2.gz	JOARDHCPKOZYTP-QVWMHLQHSA-N	1	1	404.507	1.705	20	0		HDADMO
COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](OC)C1	ZINC001081958355	1076018821	/nfs/dbraw/zinc/01/88/21/1076018821.db2.gz	JOARDHCPKOZYTP-QVWMHLQHSA-N	1	1	404.507	1.705	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCOc2c(C)cccc2C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959702	1076020011	/nfs/dbraw/zinc/02/00/11/1076020011.db2.gz	TYDFWURMWQERAH-DRTOOAOUSA-N	1	1	400.519	1.921	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001082168024	1076023613	/nfs/dbraw/zinc/02/36/13/1076023613.db2.gz	RDGHYUMWXAUZDR-SIFVSHMBSA-N	1	1	400.523	1.892	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001082155435	1076023647	/nfs/dbraw/zinc/02/36/47/1076023647.db2.gz	AHOGITYVFZQZMR-DKLJTFSYSA-N	1	1	402.491	1.383	20	0		HDADMO
O=C(N[C@H](Cc1cccnc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1	ZINC000733256099	1076024452	/nfs/dbraw/zinc/02/44/52/1076024452.db2.gz	CKWXXYVHCGPXAG-PCCBWWKXSA-N	1	1	408.502	1.402	20	0		HDADMO
Cc1cccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1	ZINC000052816064	1076028962	/nfs/dbraw/zinc/02/89/62/1076028962.db2.gz	MIRHRVBAIWGKHT-PCCBWWKXSA-N	1	1	403.567	1.857	20	0		HDADMO
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)O[NH+]=C(N)C1CCCC1	ZINC000733307427	1076034896	/nfs/dbraw/zinc/03/48/96/1076034896.db2.gz	STDZULGPHUTUSU-LBPRGKRZSA-N	1	1	412.512	1.961	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc2)CC1	ZINC000733340717	1076046480	/nfs/dbraw/zinc/04/64/80/1076046480.db2.gz	OYDDHWJGSHWIPR-UHFFFAOYSA-N	1	1	410.584	1.447	20	0		HDADMO
CCC[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)C[C@H]1COc2ccccc2O1	ZINC000053094494	1076054067	/nfs/dbraw/zinc/05/40/67/1076054067.db2.gz	JNVSFTDBLZFPSR-SFHVURJKSA-N	1	1	405.539	1.765	20	0		HDADMO
CCC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)C[C@H]1COc2ccccc2O1	ZINC000053094494	1076054072	/nfs/dbraw/zinc/05/40/72/1076054072.db2.gz	JNVSFTDBLZFPSR-SFHVURJKSA-N	1	1	405.539	1.765	20	0		HDADMO
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)C1	ZINC000053525965	1076058507	/nfs/dbraw/zinc/05/85/07/1076058507.db2.gz	FTEDWKDNBWGLGI-QRVBRYPASA-N	1	1	419.570	1.714	20	0		HDADMO
Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C	ZINC001082653527	1076062220	/nfs/dbraw/zinc/06/22/20/1076062220.db2.gz	PJCYIRZFISMKRX-UEURJDKPSA-N	1	1	422.533	1.639	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](CCC(N)=O)C3)CC2)c(F)c1	ZINC000727158351	1076071250	/nfs/dbraw/zinc/07/12/50/1076071250.db2.gz	NZGPNZBCWMCMGZ-KRWDZBQOSA-N	1	1	418.513	1.654	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](CCC(N)=O)C3)cc2)CC1	ZINC000727231687	1076085886	/nfs/dbraw/zinc/08/58/86/1076085886.db2.gz	SAEMVKCOPQGECM-QGZVFWFLSA-N	1	1	415.538	1.271	20	0		HDADMO
COc1ccc(Cn2nccc2NC(=O)CC[NH+]2CCOCC2)c(OC)c1OC	ZINC000727386505	1076104034	/nfs/dbraw/zinc/10/40/34/1076104034.db2.gz	ZWQLRQYGYRMIKF-UHFFFAOYSA-N	1	1	404.467	1.618	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)COC[C@H]2CCCO2)CC1	ZINC000733594624	1076121316	/nfs/dbraw/zinc/12/13/16/1076121316.db2.gz	GISURWIQFILTBX-HXUWFJFHSA-N	1	1	404.507	1.768	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2Br)CC1	ZINC000727450734	1076131343	/nfs/dbraw/zinc/13/13/43/1076131343.db2.gz	JKWAGLRVRBNODN-QPEQYQDCSA-N	1	1	416.341	1.503	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000733648367	1076140261	/nfs/dbraw/zinc/14/02/61/1076140261.db2.gz	IFEHMSWIEPFXJA-LEWJYISDSA-N	1	1	417.554	1.179	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)CC2)c1	ZINC000727527003	1076148203	/nfs/dbraw/zinc/14/82/03/1076148203.db2.gz	KCNIULLMGAYOAZ-UHFFFAOYSA-N	1	1	422.485	1.860	20	0		HDADMO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1	ZINC000733669504	1076149527	/nfs/dbraw/zinc/14/95/27/1076149527.db2.gz	KCTKDIHEMZRZNE-SFHVURJKSA-N	1	1	401.555	1.758	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1	ZINC000733669504	1076149535	/nfs/dbraw/zinc/14/95/35/1076149535.db2.gz	KCTKDIHEMZRZNE-SFHVURJKSA-N	1	1	401.555	1.758	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1	ZINC000727610353	1076180467	/nfs/dbraw/zinc/18/04/67/1076180467.db2.gz	KPGFZFQPVSFEFD-UHFFFAOYSA-N	1	1	409.462	1.086	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1F	ZINC000727611375	1076180494	/nfs/dbraw/zinc/18/04/94/1076180494.db2.gz	RETOLTSLKVPWDP-CHWSQXEVSA-N	1	1	424.473	1.947	20	0		HDADMO
CC(C)[C@@H](CNC(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)N1CC[NH+](C)CC1	ZINC000727599146	1076185881	/nfs/dbraw/zinc/18/58/81/1076185881.db2.gz	GJBXEOWBHMEEMX-GOSISDBHSA-N	1	1	411.591	1.957	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]([C@H](C)C3CC3)C3CC3)C2=O)c1	ZINC000733793693	1076201878	/nfs/dbraw/zinc/20/18/78/1076201878.db2.gz	RRLCXHOVFQCBBO-ASSNKEHSSA-N	1	1	400.479	1.756	20	0		HDADMO
O=C(c1c(F)cccc1F)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1	ZINC000727659990	1076203684	/nfs/dbraw/zinc/20/36/84/1076203684.db2.gz	MQXAIWNDZIVEPE-UHFFFAOYSA-N	1	1	412.506	1.319	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1	ZINC000733780572	1076203924	/nfs/dbraw/zinc/20/39/24/1076203924.db2.gz	VTOYHANUBXZBCV-IAGOWNOFSA-N	1	1	406.552	1.597	20	0		HDADMO
O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727755671	1076229181	/nfs/dbraw/zinc/22/91/81/1076229181.db2.gz	AYVLLBDYXVZIDJ-LJQANCHMSA-N	1	1	416.503	1.230	20	0		HDADMO
CNC(=O)CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2	ZINC000727758582	1076231374	/nfs/dbraw/zinc/23/13/74/1076231374.db2.gz	CGJOKTSWQHLASC-UHFFFAOYSA-N	1	1	412.446	1.674	20	0		HDADMO
CNC(=O)CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2	ZINC000727758582	1076231376	/nfs/dbraw/zinc/23/13/76/1076231376.db2.gz	CGJOKTSWQHLASC-UHFFFAOYSA-N	1	1	412.446	1.674	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C2)no1	ZINC000530432249	1076235134	/nfs/dbraw/zinc/23/51/34/1076235134.db2.gz	CDWHXXAWPFKSTP-KRWDZBQOSA-N	1	1	407.515	1.084	20	0		HDADMO
COCC(COC)[NH+]1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)CC1	ZINC001299319650	1076248929	/nfs/dbraw/zinc/24/89/29/1076248929.db2.gz	WWAVCEFHRXTRFQ-UHFFFAOYSA-N	1	1	401.866	1.015	20	0		HDADMO
COc1cc(C(=O)NCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc(OC)c1OC	ZINC000534597996	1076249336	/nfs/dbraw/zinc/24/93/36/1076249336.db2.gz	GQKGJVWXVFYBGL-QGZVFWFLSA-N	1	1	413.474	1.745	20	0		HDADMO
COc1cc(C(=O)NCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc(OC)c1OC	ZINC000534597996	1076249339	/nfs/dbraw/zinc/24/93/39/1076249339.db2.gz	GQKGJVWXVFYBGL-QGZVFWFLSA-N	1	1	413.474	1.745	20	0		HDADMO
Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535281509	1076252243	/nfs/dbraw/zinc/25/22/43/1076252243.db2.gz	PVHOBQDLNQDUMC-SFHVURJKSA-N	1	1	417.477	1.167	20	0		HDADMO
Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000535281509	1076252246	/nfs/dbraw/zinc/25/22/46/1076252246.db2.gz	PVHOBQDLNQDUMC-SFHVURJKSA-N	1	1	417.477	1.167	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1	ZINC000535292729	1076252330	/nfs/dbraw/zinc/25/23/30/1076252330.db2.gz	HVTBAYRQVXZPSL-OAQYLSRUSA-N	1	1	413.566	1.903	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1	ZINC000535292729	1076252334	/nfs/dbraw/zinc/25/23/34/1076252334.db2.gz	HVTBAYRQVXZPSL-OAQYLSRUSA-N	1	1	413.566	1.903	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000535291179	1076252343	/nfs/dbraw/zinc/25/23/43/1076252343.db2.gz	ADAGRABEQZRTMA-NRFANRHFSA-N	1	1	407.518	1.821	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000535291179	1076252347	/nfs/dbraw/zinc/25/23/47/1076252347.db2.gz	ADAGRABEQZRTMA-NRFANRHFSA-N	1	1	407.518	1.821	20	0		HDADMO
C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1	ZINC000144177631	1076254048	/nfs/dbraw/zinc/25/40/48/1076254048.db2.gz	HGZYQLKXIZYUCX-INIZCTEOSA-N	1	1	401.511	1.338	20	0		HDADMO
O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000536532029	1076256691	/nfs/dbraw/zinc/25/66/91/1076256691.db2.gz	NAQFTIALLFFVMQ-GOEBONIOSA-N	1	1	422.455	1.844	20	0		HDADMO
CS(=O)(=O)NCCNC(=S)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000733903518	1076260651	/nfs/dbraw/zinc/26/06/51/1076260651.db2.gz	FSZXZIOEMJTFRU-CQSZACIVSA-N	1	1	424.514	1.293	20	0		HDADMO
O=C(C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)N1CCC2(CC1)OCCO2	ZINC000727831534	1076263496	/nfs/dbraw/zinc/26/34/96/1076263496.db2.gz	HQMNMSLEQMIFJJ-UHFFFAOYSA-N	1	1	413.478	1.677	20	0		HDADMO
CC(C)[N@H+]1CCCN(Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)CC1	ZINC000727823490	1076267723	/nfs/dbraw/zinc/26/77/23/1076267723.db2.gz	KBRRUJSBNIEJET-INIZCTEOSA-N	1	1	410.588	1.385	20	0		HDADMO
CC(C)[N@H+]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1	ZINC000727823257	1076267986	/nfs/dbraw/zinc/26/79/86/1076267986.db2.gz	FPNDMYAPKXYTBD-FQEVSTJZSA-N	1	1	422.551	1.231	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1	ZINC000727860151	1076274723	/nfs/dbraw/zinc/27/47/23/1076274723.db2.gz	TYWJUIHANNBCEK-CYBMUJFWSA-N	1	1	408.300	1.870	20	0		HDADMO
COCCN(CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C(=O)OC(C)(C)C	ZINC000733956004	1076274975	/nfs/dbraw/zinc/27/49/75/1076274975.db2.gz	SVNXQHPVTBTILK-SFHVURJKSA-N	1	1	412.575	1.498	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)n1C	ZINC000733970005	1076287676	/nfs/dbraw/zinc/28/76/76/1076287676.db2.gz	FMOUCYDNULMTCP-XDHOZWIPSA-N	1	1	404.474	1.968	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCC(C3OCCO3)CC2)c1	ZINC000727944352	1076292545	/nfs/dbraw/zinc/29/25/45/1076292545.db2.gz	NDZFLRNVXVGIEN-UHFFFAOYSA-N	1	1	421.538	1.938	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cnc(OC)nc3)CC2)cc1	ZINC000734047740	1076298760	/nfs/dbraw/zinc/29/87/60/1076298760.db2.gz	WDQHTOSPKLIWTN-UHFFFAOYSA-N	1	1	414.462	1.385	20	0		HDADMO
Cc1oc(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)c2c1c(C)n[nH]c2=O	ZINC000022835130	1076300839	/nfs/dbraw/zinc/30/08/39/1076300839.db2.gz	AHTHYZNVMWSEAC-UHFFFAOYSA-N	1	1	401.492	1.951	20	0		HDADMO
CCc1ccccc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H]2C1	ZINC001083151758	1076317062	/nfs/dbraw/zinc/31/70/62/1076317062.db2.gz	SBYSQADSDAROBL-RTOMLYRKSA-N	1	1	400.519	1.712	20	0		HDADMO
Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)c(=O)n(-c2ccccc2)n1C	ZINC000728053425	1076320979	/nfs/dbraw/zinc/32/09/79/1076320979.db2.gz	JYIZPPVQVQBMTF-SJORKVTESA-N	1	1	414.506	1.896	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)C1	ZINC000728078172	1076334615	/nfs/dbraw/zinc/33/46/15/1076334615.db2.gz	VGFIPSOQPYGGAF-INIZCTEOSA-N	1	1	418.519	1.199	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)C1	ZINC000728078173	1076334710	/nfs/dbraw/zinc/33/47/10/1076334710.db2.gz	VGFIPSOQPYGGAF-MRXNPFEDSA-N	1	1	418.519	1.199	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000728126639	1076338591	/nfs/dbraw/zinc/33/85/91/1076338591.db2.gz	ZABNOWZNBCEXDI-QGZVFWFLSA-N	1	1	401.536	1.865	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000728134785	1076339623	/nfs/dbraw/zinc/33/96/23/1076339623.db2.gz	LDYKTDWCTNENDF-MRXNPFEDSA-N	1	1	406.502	1.982	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000728134690	1076339662	/nfs/dbraw/zinc/33/96/62/1076339662.db2.gz	JSBCCTSULASEKG-KRWDZBQOSA-N	1	1	422.501	1.074	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000728135398	1076340015	/nfs/dbraw/zinc/34/00/15/1076340015.db2.gz	IYRRKDRROCQSEI-HZPDHXFCSA-N	1	1	406.502	1.837	20	0		HDADMO
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000024612695	1076345754	/nfs/dbraw/zinc/34/57/54/1076345754.db2.gz	URECHLOKLAGZSR-UHFFFAOYSA-N	1	1	406.486	1.814	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)CC1	ZINC000728159651	1076350201	/nfs/dbraw/zinc/35/02/01/1076350201.db2.gz	PAGZMLBUWKWZJL-SBUREZEXSA-N	1	1	421.501	1.754	20	0		HDADMO
O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000025828048	1076354945	/nfs/dbraw/zinc/35/49/45/1076354945.db2.gz	QQBFQTSTLCSXSB-UHFFFAOYSA-N	1	1	424.501	1.458	20	0		HDADMO
CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC3(CC2)OCCc2ccsc23)CC1	ZINC000498935211	1076355882	/nfs/dbraw/zinc/35/58/82/1076355882.db2.gz	DPYCPFCTECMDAG-UHFFFAOYSA-N	1	1	403.548	1.907	20	0		HDADMO
CCC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H]1COc2ccccc2O1	ZINC000026663468	1076358077	/nfs/dbraw/zinc/35/80/77/1076358077.db2.gz	PGLAGGXWNOFFHF-INIZCTEOSA-N	1	1	419.503	1.825	20	0		HDADMO
CCC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H]1COc2ccccc2O1	ZINC000026663468	1076358082	/nfs/dbraw/zinc/35/80/82/1076358082.db2.gz	PGLAGGXWNOFFHF-INIZCTEOSA-N	1	1	419.503	1.825	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1C1OCCO1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000728172850	1076364016	/nfs/dbraw/zinc/36/40/16/1076364016.db2.gz	NLNKCPALECHFGT-LJQANCHMSA-N	1	1	401.507	1.635	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1C1OCCO1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000728172850	1076364022	/nfs/dbraw/zinc/36/40/22/1076364022.db2.gz	NLNKCPALECHFGT-LJQANCHMSA-N	1	1	401.507	1.635	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCCC[C@@H]3C3OCCO3)CC2)cc1	ZINC000728174845	1076364986	/nfs/dbraw/zinc/36/49/86/1076364986.db2.gz	YKJNOAMYLFFRDQ-OAQYLSRUSA-N	1	1	417.550	1.957	20	0		HDADMO
COc1ccc(/C=C/C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)cc1	ZINC000729979441	1076404102	/nfs/dbraw/zinc/40/41/02/1076404102.db2.gz	AIYRHWKSMFUJBP-RMKNXTFCSA-N	1	1	414.550	1.405	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)C1	ZINC000729980165	1076404994	/nfs/dbraw/zinc/40/49/94/1076404994.db2.gz	MLYXATAJMIDZKU-HNMKQIAWSA-N	1	1	400.483	1.215	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1	ZINC000729981125	1076405829	/nfs/dbraw/zinc/40/58/29/1076405829.db2.gz	VIRGRIGLVXJIMS-CYBMUJFWSA-N	1	1	408.300	1.870	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1)[NH+]1CCOCC1	ZINC000730088693	1076442441	/nfs/dbraw/zinc/44/24/41/1076442441.db2.gz	CJIJRBKMOVDSOX-OAHLLOKOSA-N	1	1	416.503	1.516	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730116408	1076462713	/nfs/dbraw/zinc/46/27/13/1076462713.db2.gz	YEDGMODFFPMPNQ-QGZVFWFLSA-N	1	1	411.591	1.959	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1	ZINC000730213833	1076478344	/nfs/dbraw/zinc/47/83/44/1076478344.db2.gz	NYMMWZDGWYYYQX-KRWDZBQOSA-N	1	1	416.497	1.191	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1	ZINC000730219282	1076481334	/nfs/dbraw/zinc/48/13/34/1076481334.db2.gz	YIBSSCRUSBSSPD-VQTJNVASSA-N	1	1	412.534	1.622	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1	ZINC000730261753	1076502545	/nfs/dbraw/zinc/50/25/45/1076502545.db2.gz	BJPGMHCUSYOGAO-CQSZACIVSA-N	1	1	423.514	1.261	20	0		HDADMO
C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000730261349	1076503241	/nfs/dbraw/zinc/50/32/41/1076503241.db2.gz	IBCBEILLLJLMLL-QKBHPVBBSA-N	1	1	421.563	1.367	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730262232	1076504064	/nfs/dbraw/zinc/50/40/64/1076504064.db2.gz	PUFCPNWPJVIDTA-DLBZAZTESA-N	1	1	403.527	1.718	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730262232	1076504070	/nfs/dbraw/zinc/50/40/70/1076504070.db2.gz	PUFCPNWPJVIDTA-DLBZAZTESA-N	1	1	403.527	1.718	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730263433	1076505221	/nfs/dbraw/zinc/50/52/21/1076505221.db2.gz	GBQUCXSLDGUNHS-KRWDZBQOSA-N	1	1	410.559	1.691	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730263433	1076505229	/nfs/dbraw/zinc/50/52/29/1076505229.db2.gz	GBQUCXSLDGUNHS-KRWDZBQOSA-N	1	1	410.559	1.691	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000730281166	1076512089	/nfs/dbraw/zinc/51/20/89/1076512089.db2.gz	DPQDJBVYOUAABC-GOSISDBHSA-N	1	1	414.506	1.133	20	0		HDADMO
O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1)N1CCCC1	ZINC000730275382	1076518489	/nfs/dbraw/zinc/51/84/89/1076518489.db2.gz	CFISSBQNFJWKDQ-QGZVFWFLSA-N	1	1	416.497	1.335	20	0		HDADMO
O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1)N1CCCC1	ZINC000730275382	1076518497	/nfs/dbraw/zinc/51/84/97/1076518497.db2.gz	CFISSBQNFJWKDQ-QGZVFWFLSA-N	1	1	416.497	1.335	20	0		HDADMO
CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000730279206	1076520428	/nfs/dbraw/zinc/52/04/28/1076520428.db2.gz	LECCBMRDSJUSHM-QGZVFWFLSA-N	1	1	410.559	1.646	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1	ZINC000730313346	1076529408	/nfs/dbraw/zinc/52/94/08/1076529408.db2.gz	UGUWODJQBTWJMA-GOSISDBHSA-N	1	1	405.520	1.104	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C1	ZINC000730385139	1076553506	/nfs/dbraw/zinc/55/35/06/1076553506.db2.gz	PJVMOWKBEMBSIN-HNNXBMFYSA-N	1	1	403.458	1.423	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1	ZINC000730538869	1076585377	/nfs/dbraw/zinc/58/53/77/1076585377.db2.gz	ASYBAIWGOLUWFF-SLFFLAALSA-N	1	1	421.563	1.208	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1	ZINC000730528143	1076589922	/nfs/dbraw/zinc/58/99/22/1076589922.db2.gz	WXQUJKSWIARNGZ-QGZVFWFLSA-N	1	1	410.559	1.883	20	0		HDADMO
CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1	ZINC000730561494	1076602953	/nfs/dbraw/zinc/60/29/53/1076602953.db2.gz	GSYHDKMTDSBVQM-GOSISDBHSA-N	1	1	424.567	1.111	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C(C)C)cc1	ZINC000730568050	1076604340	/nfs/dbraw/zinc/60/43/40/1076604340.db2.gz	ARQDPFYZVGPRGY-QFBILLFUSA-N	1	1	407.511	1.342	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1	ZINC000730575433	1076608474	/nfs/dbraw/zinc/60/84/74/1076608474.db2.gz	PBXHLGXZJQMDKJ-QGZVFWFLSA-N	1	1	405.520	1.584	20	0		HDADMO
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1)O[C@H](C)C2	ZINC000730585510	1076608785	/nfs/dbraw/zinc/60/87/85/1076608785.db2.gz	GUNFXWCJLVIKSC-RPVQJOFSSA-N	1	1	401.507	1.578	20	0		HDADMO
CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1	ZINC000730904820	1076688962	/nfs/dbraw/zinc/68/89/62/1076688962.db2.gz	FBEKCVLRLGVXNQ-ZWKOTPCHSA-N	1	1	411.591	1.957	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1	ZINC000730935737	1076696481	/nfs/dbraw/zinc/69/64/81/1076696481.db2.gz	GVPKTVWYMYMVHM-OAHLLOKOSA-N	1	1	406.531	1.922	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN/C=C3/C(=O)NC(=O)c4ccccc43)c2)C1	ZINC000730996165	1076706918	/nfs/dbraw/zinc/70/69/18/1076706918.db2.gz	PAADTRDFOPZOQK-LANLRWRYSA-N	1	1	418.497	1.785	20	0		HDADMO
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000731008661	1076709651	/nfs/dbraw/zinc/70/96/51/1076709651.db2.gz	LRIGDCZVOKTHQA-QAPCUYQASA-N	1	1	418.538	1.913	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1	ZINC000731024868	1076712987	/nfs/dbraw/zinc/71/29/87/1076712987.db2.gz	JNDAHKFKIHRWAD-GDBMZVCRSA-N	1	1	421.519	1.082	20	0		HDADMO
CC(C)(CNC(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)N1CCOCC1	ZINC000731034292	1076715083	/nfs/dbraw/zinc/71/50/83/1076715083.db2.gz	HKSNBUPJEQKNGK-NRFANRHFSA-N	1	1	407.530	1.798	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)CC1	ZINC000731179466	1076745206	/nfs/dbraw/zinc/74/52/06/1076745206.db2.gz	IUAKCVIKUBSEAN-HXUWFJFHSA-N	1	1	413.518	1.561	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)CC1	ZINC000731180535	1076745488	/nfs/dbraw/zinc/74/54/88/1076745488.db2.gz	CYZJIGQUTBJHTI-UHFFFAOYSA-N	1	1	410.559	1.694	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)CC1	ZINC000731200453	1076752662	/nfs/dbraw/zinc/75/26/62/1076752662.db2.gz	CRFAXULRWNCQSZ-UHFFFAOYSA-N	1	1	410.522	1.674	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(CN3C(=O)c4cccc(N)c4C3=O)CC2)CC1	ZINC000731205619	1076754604	/nfs/dbraw/zinc/75/46/04/1076754604.db2.gz	CMEZDAIIGPOHOM-UHFFFAOYSA-N	1	1	413.522	1.089	20	0		HDADMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1	ZINC000731224281	1076767828	/nfs/dbraw/zinc/76/78/28/1076767828.db2.gz	ZKMLWDNCCUBRDD-SFHVURJKSA-N	1	1	417.620	1.555	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3cc4nc(C(=O)OC)cc-4c[nH]3)CC2)C1=O	ZINC001164641213	719279194	/nfs/dbraw/zinc/27/91/94/719279194.db2.gz	UPRSVPGRCAARID-UHFFFAOYSA-N	1	1	415.494	1.109	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3cc4nc(C(=O)OC)cc-4c[nH]3)CC2)C1=O	ZINC001164641213	719279196	/nfs/dbraw/zinc/27/91/96/719279196.db2.gz	UPRSVPGRCAARID-UHFFFAOYSA-N	1	1	415.494	1.109	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc1	ZINC001164651352	719315096	/nfs/dbraw/zinc/31/50/96/719315096.db2.gz	JKYIAZQKNRPHKI-UHFFFAOYSA-N	1	1	406.556	1.782	20	0		HDADMO
Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C	ZINC000301638446	719440988	/nfs/dbraw/zinc/44/09/88/719440988.db2.gz	FRMNTTAOUPDAIF-CVEARBPZSA-N	1	1	403.552	1.660	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc3ccccc3nc1N1CCOCC1)CC2	ZINC001164687452	719718176	/nfs/dbraw/zinc/71/81/76/719718176.db2.gz	XOWQPMASVSUDSQ-UHFFFAOYSA-N	1	1	424.549	1.647	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)CC2	ZINC001164686777	719723609	/nfs/dbraw/zinc/72/36/09/719723609.db2.gz	SEIMTPBZNBZGKF-UHFFFAOYSA-N	1	1	409.918	1.549	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ncccc21	ZINC001164697367	719844238	/nfs/dbraw/zinc/84/42/38/719844238.db2.gz	CUZRFGIUAULVDZ-DJJJIMSYSA-N	1	1	405.886	1.911	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1[nH]c2cc(=O)[nH]c-2cc1Cl	ZINC001164700565	719856523	/nfs/dbraw/zinc/85/65/23/719856523.db2.gz	ICBXHGYIRIDKHA-BUXKBTBVSA-N	1	1	408.886	1.462	20	0		HDADMO
COC(=O)c1cc2c[nH]c(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)cc-2n1	ZINC001164707653	719863857	/nfs/dbraw/zinc/86/38/57/719863857.db2.gz	UXGGHBMIIRGIOB-VFNWGFHPSA-N	1	1	416.478	1.582	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(N3CCOCC3)n1)C2	ZINC001164812282	720088349	/nfs/dbraw/zinc/08/83/49/720088349.db2.gz	QFDCFWNCFLAMEM-UZLBHIALSA-N	1	1	422.961	1.546	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2	ZINC001164814135	720096720	/nfs/dbraw/zinc/09/67/20/720096720.db2.gz	VOLCLEXMMKCYBX-FOIQADDNSA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)C2	ZINC001164814135	720096728	/nfs/dbraw/zinc/09/67/28/720096728.db2.gz	VOLCLEXMMKCYBX-FOIQADDNSA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)C2	ZINC001164814135	720096735	/nfs/dbraw/zinc/09/67/35/720096735.db2.gz	VOLCLEXMMKCYBX-FOIQADDNSA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(S(N)(=O)=O)cc1Cl)C2	ZINC001164815927	720103935	/nfs/dbraw/zinc/10/39/35/720103935.db2.gz	XNEAIHQJTHTWHT-KSSFIOAISA-N	1	1	414.959	1.567	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(S(N)(=O)=O)cc1Cl)C2	ZINC001164815928	720104224	/nfs/dbraw/zinc/10/42/24/720104224.db2.gz	XNEAIHQJTHTWHT-RDTXWAMCSA-N	1	1	414.959	1.567	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC	ZINC001164809715	720107944	/nfs/dbraw/zinc/10/79/44/720107944.db2.gz	IKKJTAKXLLISQF-IIBYNOLFSA-N	1	1	404.511	1.847	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1S(N)(=O)=O)C2	ZINC001164813677	720186685	/nfs/dbraw/zinc/18/66/85/720186685.db2.gz	DLSUECKSGOAMGC-KDOFPFPSSA-N	1	1	414.959	1.567	20	0		HDADMO
CCOC(=O)c1ccc(C)c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1	ZINC001164716097	720207939	/nfs/dbraw/zinc/20/79/39/720207939.db2.gz	APYFUBPZKJHHQW-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1ccc(C)c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1	ZINC001164716097	720207954	/nfs/dbraw/zinc/20/79/54/720207954.db2.gz	APYFUBPZKJHHQW-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164814045	720210169	/nfs/dbraw/zinc/21/01/69/720210169.db2.gz	SBTOZDHNAUDQGT-UHFFFAOYSA-N	1	1	420.901	1.724	20	0		HDADMO
CCOC(=O)c1cnc(Cl)cc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2	ZINC001164716229	720211360	/nfs/dbraw/zinc/21/13/60/720211360.db2.gz	AXNDNXZWDUHIAZ-FQEVSTJZSA-N	1	1	424.929	1.577	20	0		HDADMO
CCOC(=O)c1cnc(Cl)cc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2	ZINC001164716229	720211367	/nfs/dbraw/zinc/21/13/67/720211367.db2.gz	AXNDNXZWDUHIAZ-FQEVSTJZSA-N	1	1	424.929	1.577	20	0		HDADMO
COC(=O)c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1OC	ZINC001164815318	720214569	/nfs/dbraw/zinc/21/45/69/720214569.db2.gz	YZMXDEHAXSUKNX-UHFFFAOYSA-N	1	1	415.494	1.684	20	0		HDADMO
CCOC(=O)c1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncn1	ZINC001164814110	720217169	/nfs/dbraw/zinc/21/71/69/720217169.db2.gz	UJDYVAKCIDYNCA-UHFFFAOYSA-N	1	1	400.483	1.461	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1ncn3C)CCC2	ZINC001164812796	720219356	/nfs/dbraw/zinc/21/93/56/720219356.db2.gz	JAJBTICLFQZHHN-UHFFFAOYSA-N	1	1	416.917	1.824	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CSC4)C2)C1	ZINC001164719410	720234465	/nfs/dbraw/zinc/23/44/65/720234465.db2.gz	MQEKURWLPIUKKN-GOSISDBHSA-N	1	1	411.959	1.542	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CSC4)C2)C1	ZINC001164719410	720234475	/nfs/dbraw/zinc/23/44/75/720234475.db2.gz	MQEKURWLPIUKKN-GOSISDBHSA-N	1	1	411.959	1.542	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ncn3C1CC1)CCC2	ZINC001164813938	720237923	/nfs/dbraw/zinc/23/79/23/720237923.db2.gz	SHIHXBQNVLUJDM-UHFFFAOYSA-N	1	1	408.510	1.968	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(COC)nc(SC)n3)C2)C1	ZINC001164719714	720245798	/nfs/dbraw/zinc/24/57/98/720245798.db2.gz	OCPQYCJJYBDNSB-LJQANCHMSA-N	1	1	409.556	1.010	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(COC)nc(SC)n3)C2)C1	ZINC001164719714	720245803	/nfs/dbraw/zinc/24/58/03/720245803.db2.gz	OCPQYCJJYBDNSB-LJQANCHMSA-N	1	1	409.556	1.010	20	0		HDADMO
CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(N4CCCCC4)cc[nH+]3)C2)C1	ZINC001164723244	720264246	/nfs/dbraw/zinc/26/42/46/720264246.db2.gz	VNNQVDJDHNOXAR-NRFANRHFSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc5c(c43)CCC5)C2)C1	ZINC001164723238	720283522	/nfs/dbraw/zinc/28/35/22/720283522.db2.gz	VFQZYZKPAARWCL-NRFANRHFSA-N	1	1	415.563	1.845	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc5c(c43)CCC5)C2)C1	ZINC001164723238	720283525	/nfs/dbraw/zinc/28/35/25/720283525.db2.gz	VFQZYZKPAARWCL-NRFANRHFSA-N	1	1	415.563	1.845	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nc(C)no4)ccn3)C2)C1	ZINC001164721252	720291355	/nfs/dbraw/zinc/29/13/55/720291355.db2.gz	IPEVGOCMZNTZTO-FQEVSTJZSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nc(C)no4)ccn3)C2)C1	ZINC001164721252	720291359	/nfs/dbraw/zinc/29/13/59/720291359.db2.gz	IPEVGOCMZNTZTO-FQEVSTJZSA-N	1	1	400.483	1.105	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(N3CCOCC3)n2)CC1	ZINC001164823236	720330989	/nfs/dbraw/zinc/33/09/89/720330989.db2.gz	ABAJKZPGNLEMKB-UXHICEINSA-N	1	1	413.566	1.830	20	0		HDADMO
c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(N3CCOCC3)nc3c2CCN3)c1	ZINC001164721341	720360644	/nfs/dbraw/zinc/36/06/44/720360644.db2.gz	BTHIJHWJLSNXRT-MOPGFXCFSA-N	1	1	407.522	1.529	20	0		HDADMO
CN1c2cnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2N2CCC[C@H]2C1=O	ZINC001164721626	720387983	/nfs/dbraw/zinc/38/79/83/720387983.db2.gz	ADEPRZRUWPQUNS-KURKYZTESA-N	1	1	405.506	1.670	20	0		HDADMO
CN1c2cnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2N2CCC[C@H]2C1=O	ZINC001164721621	720388333	/nfs/dbraw/zinc/38/83/33/720388333.db2.gz	ADEPRZRUWPQUNS-BZSNNMDCSA-N	1	1	405.506	1.670	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(S(N)(=O)=O)cn3)CC[C@@H]21	ZINC001164834271	720533348	/nfs/dbraw/zinc/53/33/48/720533348.db2.gz	DFLKNODLXHMISL-RYRKJORJSA-N	1	1	404.540	1.303	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164840207	720569474	/nfs/dbraw/zinc/56/94/74/720569474.db2.gz	SDWFOCFEKREXAX-FGTMMUONSA-N	1	1	418.567	1.564	20	0		HDADMO
COc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC	ZINC001164743645	720644025	/nfs/dbraw/zinc/64/40/25/720644025.db2.gz	PXEWSKUNXAWTQI-GJZGRUSLSA-N	1	1	408.462	1.779	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1OC	ZINC001164838234	720649021	/nfs/dbraw/zinc/64/90/21/720649021.db2.gz	GQLZLPBPBKGLSD-BRWVUGGUSA-N	1	1	414.510	1.846	20	0		HDADMO
CCOC(=O)c1cc(Cl)nnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164745708	720654281	/nfs/dbraw/zinc/65/42/81/720654281.db2.gz	VQNJZOGCPJGLRC-CHWSQXEVSA-N	1	1	404.858	1.439	20	0		HDADMO
CCOC(=O)c1nnc(Cl)cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739597	720681162	/nfs/dbraw/zinc/68/11/62/720681162.db2.gz	OBRHRAHQWCMFEM-STQMWFEESA-N	1	1	404.858	1.439	20	0		HDADMO
COc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164736834	720720798	/nfs/dbraw/zinc/72/07/98/720720798.db2.gz	BLKHJPJVAOZVSS-IAGOWNOFSA-N	1	1	405.462	1.679	20	0		HDADMO
CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c21	ZINC001164742154	720747625	/nfs/dbraw/zinc/74/76/25/720747625.db2.gz	NOSNRKCFHQFOPA-STQMWFEESA-N	1	1	403.874	1.091	20	0		HDADMO
Cc1cc(NC(=O)c2cccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)no1	ZINC001164743430	720756205	/nfs/dbraw/zinc/75/62/05/720756205.db2.gz	QBZBCVIGIAJPHJ-JKSUJKDBSA-N	1	1	421.461	1.762	20	0		HDADMO
Clc1cc(O[C@@H]2CCOC2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164743507	720804549	/nfs/dbraw/zinc/80/45/49/720804549.db2.gz	GEXLUDUOQUMVKT-ZNMIVQPWSA-N	1	1	418.885	1.430	20	0		HDADMO
Clc1nc2nc[nH]c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164750064	720811237	/nfs/dbraw/zinc/81/12/37/720811237.db2.gz	VCLWEKQXYVENHY-QLFBSQMISA-N	1	1	413.917	1.977	20	0		HDADMO
NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748680	720813428	/nfs/dbraw/zinc/81/34/28/720813428.db2.gz	QXNVUOHROXCNAY-HLLBOEOZSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164738805	720818607	/nfs/dbraw/zinc/81/86/07/720818607.db2.gz	GUMHVZARXNPVPG-SQWLQELKSA-N	1	1	416.917	1.200	20	0		HDADMO
NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745602	720830172	/nfs/dbraw/zinc/83/01/72/720830172.db2.gz	XDAGZBKTIINLFY-BFYDXBDKSA-N	1	1	415.929	1.805	20	0		HDADMO
c1cn(-c2cncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cn1	ZINC001164747402	720838880	/nfs/dbraw/zinc/83/88/80/720838880.db2.gz	QMAGQDVXSMQAPT-IPMKNSEASA-N	1	1	405.510	1.633	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC[C@H]2C1	ZINC001164857680	720840002	/nfs/dbraw/zinc/84/00/02/720840002.db2.gz	YLEVZXFWRVLAQW-UONOGXRCSA-N	1	1	419.904	1.914	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC[C@@H]2C1	ZINC001164857684	720840188	/nfs/dbraw/zinc/84/01/88/720840188.db2.gz	YLEVZXFWRVLAQW-ZIAGYGMSSA-N	1	1	419.904	1.914	20	0		HDADMO
c1ncn(C[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1	ZINC001164746637	720840559	/nfs/dbraw/zinc/84/05/59/720840559.db2.gz	PUHXZKMGPQZBQG-PCCBWWKXSA-N	1	1	423.565	1.889	20	0		HDADMO
c1ncn(C[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164746637	720840561	/nfs/dbraw/zinc/84/05/61/720840561.db2.gz	PUHXZKMGPQZBQG-PCCBWWKXSA-N	1	1	423.565	1.889	20	0		HDADMO
CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164743909	720843788	/nfs/dbraw/zinc/84/37/88/720843788.db2.gz	JXSIOVUKQUVKCR-IXDOHACOSA-N	1	1	422.537	1.677	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C(=O)NC2=O	ZINC001164751058	720845121	/nfs/dbraw/zinc/84/51/21/720845121.db2.gz	XZJIDYZLUDJLKC-SOLBZPMBSA-N	1	1	421.505	1.245	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164750369	720853097	/nfs/dbraw/zinc/85/30/97/720853097.db2.gz	PPAFNPOZQNLDKC-IMFGXOCKSA-N	1	1	422.537	1.340	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ncc3N3CCOCC3)CC[C@H]2C1	ZINC001164862240	720857079	/nfs/dbraw/zinc/85/70/79/720857079.db2.gz	ZTZSPVGJPFCYDX-DOTOQJQBSA-N	1	1	411.934	1.140	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(C(=O)N(C)OC)cc(Cl)n3)CC[C@H]2C1	ZINC001164854056	720858418	/nfs/dbraw/zinc/85/84/18/720858418.db2.gz	INTQGKAVXCZGMM-HOCLYGCPSA-N	1	1	412.918	1.542	20	0		HDADMO
COCc1nc(OC)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164746853	720859090	/nfs/dbraw/zinc/85/90/90/720859090.db2.gz	GUMYCPMKSJAJQA-FGTMMUONSA-N	1	1	413.526	1.603	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)CC[C@@H]2C1	ZINC001164859038	720865749	/nfs/dbraw/zinc/86/57/49/720865749.db2.gz	UDHKMCLTHANYAN-QZTJIDSGSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC[C@H]2C1	ZINC001164860598	720875986	/nfs/dbraw/zinc/87/59/86/720875986.db2.gz	OYOBNWYXYQIVDM-HKUYNNGSSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nnc3OC)CC[C@@H]2C1	ZINC001164862886	720890360	/nfs/dbraw/zinc/89/03/60/720890360.db2.gz	RSLBDRQRYJYCOU-TZMCWYRMSA-N	1	1	406.861	1.857	20	0		HDADMO
NC(=O)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867798	721066392	/nfs/dbraw/zinc/06/63/92/721066392.db2.gz	KLRXDRHIOBFZEF-ZIAGYGMSSA-N	1	1	405.861	1.848	20	0		HDADMO
COC(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C(=O)OC	ZINC001164768323	721085996	/nfs/dbraw/zinc/08/59/96/721085996.db2.gz	MTQVQUZEZGKMKA-JKSUJKDBSA-N	1	1	413.478	1.347	20	0		HDADMO
CN1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1	ZINC001164867653	721110824	/nfs/dbraw/zinc/11/08/24/721110824.db2.gz	ZGCMEKHRJZFRGY-SFTDATJTSA-N	1	1	408.550	1.708	20	0		HDADMO
CN1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1	ZINC001164867653	721110828	/nfs/dbraw/zinc/11/08/28/721110828.db2.gz	ZGCMEKHRJZFRGY-SFTDATJTSA-N	1	1	408.550	1.708	20	0		HDADMO
COC(=O)c1cc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C	ZINC001164871517	721134744	/nfs/dbraw/zinc/13/47/44/721134744.db2.gz	FFKCRHWOBZDWNZ-MSOLQXFVSA-N	1	1	422.489	1.630	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5c(n4)N4CCC[C@H]4C(=O)N5C)C[C@H]3C2)cn1	ZINC001164774190	721140217	/nfs/dbraw/zinc/14/02/17/721140217.db2.gz	ZYOOSAJQJIHEDM-KURKYZTESA-N	1	1	422.537	1.114	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nc(Cl)nc4C(N)=O)C[C@H]3C2)cn1	ZINC001164763435	721149766	/nfs/dbraw/zinc/14/97/66/721149766.db2.gz	FVUWBZUREWMBGG-NWDGAFQWSA-N	1	1	410.309	1.574	20	0		HDADMO
COC(=O)CSc1cncc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164879880	721160566	/nfs/dbraw/zinc/16/05/66/721160566.db2.gz	UYPNALMRWUPYMP-DLBZAZTESA-N	1	1	415.519	1.616	20	0		HDADMO
COC(=O)CSc1cncc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164879881	721161674	/nfs/dbraw/zinc/16/16/74/721161674.db2.gz	UYPNALMRWUPYMP-IAGOWNOFSA-N	1	1	415.519	1.616	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nnc(Cl)c5c4N(C)CCO5)C[C@@H]3C2)cn1	ZINC001164772327	721182672	/nfs/dbraw/zinc/18/26/72/721182672.db2.gz	SEAQOOZEUDVRGG-GJZGRUSLSA-N	1	1	403.918	1.650	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4S(N)(=O)=O)C[C@H]3C2)cn1	ZINC001164765948	721225388	/nfs/dbraw/zinc/22/53/88/721225388.db2.gz	IRJWZDMYGYTINY-ZIAGYGMSSA-N	1	1	410.931	1.074	20	0		HDADMO
COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164877244	721263937	/nfs/dbraw/zinc/26/39/37/721263937.db2.gz	QJHLJFQUPZYLHJ-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
COc1ccc2nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)ncc2c1	ZINC001164874403	721275298	/nfs/dbraw/zinc/27/52/98/721275298.db2.gz	QIVFLDILUTUALK-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
COC(=O)c1cc(C)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164872854	721277261	/nfs/dbraw/zinc/27/72/61/721277261.db2.gz	GQCJVQDSYWDTIJ-UHFFFAOYSA-N	1	1	404.511	1.184	20	0		HDADMO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc[nH]c4nc(=S)sc3-4)CC2)C1	ZINC001164874310	721282368	/nfs/dbraw/zinc/28/23/68/721282368.db2.gz	PUEUNRAUSNIRST-UHFFFAOYSA-N	1	1	422.580	1.382	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc[nH]c4nc(=S)sc3-4)CC2)C1	ZINC001164874310	721282371	/nfs/dbraw/zinc/28/23/71/721282371.db2.gz	PUEUNRAUSNIRST-UHFFFAOYSA-N	1	1	422.580	1.382	20	0		HDADMO
CSc1cnc(Cl)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164875592	721282866	/nfs/dbraw/zinc/28/28/66/721282866.db2.gz	XLJBGKRMTJOWCY-UHFFFAOYSA-N	1	1	413.975	1.859	20	0		HDADMO
CCCSc1cncc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164878694	721288704	/nfs/dbraw/zinc/28/87/04/721288704.db2.gz	TXHGVHRZWPVCIF-UHFFFAOYSA-N	1	1	407.584	1.986	20	0		HDADMO
COC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cn1	ZINC001164777442	721333047	/nfs/dbraw/zinc/33/30/47/721333047.db2.gz	NIGZJRXDXFBZRJ-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cn1	ZINC001164777442	721333052	/nfs/dbraw/zinc/33/30/52/721333052.db2.gz	NIGZJRXDXFBZRJ-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
CN(C)c1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164889954	721380752	/nfs/dbraw/zinc/38/07/52/721380752.db2.gz	NBBASZFOHYBDKZ-OXJNMPFZSA-N	1	1	408.978	1.961	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164886174	721385204	/nfs/dbraw/zinc/38/52/04/721385204.db2.gz	DPGLWDLCXNSMGV-DYESRHJHSA-N	1	1	406.502	1.773	20	0		HDADMO
CCOC(=O)Cc1cccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164884966	721390625	/nfs/dbraw/zinc/39/06/25/721390625.db2.gz	BEYSDCUSHDAFPR-NZQKXSOJSA-N	1	1	416.566	1.953	20	0		HDADMO
COC(=O)Cc1cccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164886500	721406568	/nfs/dbraw/zinc/40/65/68/721406568.db2.gz	JFCKKXDYSCHOSG-SIKLNZKXSA-N	1	1	402.539	1.563	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cn1	ZINC001164891376	721408016	/nfs/dbraw/zinc/40/80/16/721408016.db2.gz	VONHMSMPDNJWLZ-UTKZUKDTSA-N	1	1	403.527	1.419	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c21	ZINC001164886276	721413750	/nfs/dbraw/zinc/41/37/50/721413750.db2.gz	IPQMBRUMRRPZKA-JLHGSKIFSA-N	1	1	414.554	1.688	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc5c4CNC5=O)C3)O2)CC1	ZINC001164888286	721421500	/nfs/dbraw/zinc/42/15/00/721421500.db2.gz	NYVUEFWNPZCIRZ-QVKFZJNVSA-N	1	1	419.957	1.744	20	0		HDADMO
CCNC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164891958	721422033	/nfs/dbraw/zinc/42/20/33/721422033.db2.gz	WZEGQKLPENUABL-PGRDOPGGSA-N	1	1	401.555	1.597	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1	ZINC001164897718	721424648	/nfs/dbraw/zinc/42/46/48/721424648.db2.gz	UNUKOPMXAUSCTL-DENIHFKCSA-N	1	1	400.571	1.842	20	0		HDADMO
COc1cnc2c(c1)ncnc2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164895434	721428402	/nfs/dbraw/zinc/42/84/02/721428402.db2.gz	PASIBPAHAGOTSZ-VGOFRKELSA-N	1	1	412.538	1.799	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(N)=O)CC2	ZINC001164790267	721450942	/nfs/dbraw/zinc/45/09/42/721450942.db2.gz	XUMRFZMIMDVLQU-GOSISDBHSA-N	1	1	402.539	1.914	20	0		HDADMO
Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1C1C[NH2+]C1	ZINC001164890971	721453103	/nfs/dbraw/zinc/45/31/03/721453103.db2.gz	TXJTYCRSCOIXEQ-DENIHFKCSA-N	1	1	400.571	1.237	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)C3)O2)CC1	ZINC001164892756	721453369	/nfs/dbraw/zinc/45/33/69/721453369.db2.gz	XVZUARKFIRYCCL-JTSKRJEESA-N	1	1	414.554	1.218	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)ncn1)CC2	ZINC001164786708	721458270	/nfs/dbraw/zinc/45/82/70/721458270.db2.gz	PGIZWHVDOAGRFZ-GOSISDBHSA-N	1	1	418.538	1.997	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(C(N)=O)n1)CC2	ZINC001164782725	721462294	/nfs/dbraw/zinc/46/22/94/721462294.db2.gz	BFLLLIGPUJHRDI-GOSISDBHSA-N	1	1	402.539	1.914	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C	ZINC001164907130	721536981	/nfs/dbraw/zinc/53/69/81/721536981.db2.gz	MFPLIPYHNLSPRD-KMFMINBZSA-N	1	1	412.469	1.734	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@H]2CCCO[C@@H]12	ZINC001164801225	721562327	/nfs/dbraw/zinc/56/23/27/721562327.db2.gz	GLYNIAYQWBAHOI-SQWLQELKSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@H]2CCCO[C@@H]12	ZINC001164801225	721562329	/nfs/dbraw/zinc/56/23/29/721562329.db2.gz	GLYNIAYQWBAHOI-SQWLQELKSA-N	1	1	402.886	1.492	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1	ZINC001164905967	721567319	/nfs/dbraw/zinc/56/73/19/721567319.db2.gz	IGGYYNOXKOKDMZ-UKRRQHHQSA-N	1	1	410.446	1.349	20	0		HDADMO
NS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164908421	721587182	/nfs/dbraw/zinc/58/71/82/721587182.db2.gz	ZBXIHDDCBCHERE-GOSISDBHSA-N	1	1	423.489	1.862	20	0		HDADMO
CN1CCN(c2nccc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)n2)CC1	ZINC001164803594	721597426	/nfs/dbraw/zinc/59/74/26/721597426.db2.gz	XHBHTJOWVZHYSV-UHFFFAOYSA-N	1	1	407.497	1.908	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(N)(=O)=O)ccn3)C[C@H]21	ZINC001165024102	721827626	/nfs/dbraw/zinc/82/76/26/721827626.db2.gz	JSWWILXJIMBASI-ATZDWAIDSA-N	1	1	401.536	1.861	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164933023	721881436	/nfs/dbraw/zinc/88/14/36/721881436.db2.gz	KVHJSFKIVBEPCF-OALUTQOASA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164933023	721881437	/nfs/dbraw/zinc/88/14/37/721881437.db2.gz	KVHJSFKIVBEPCF-OALUTQOASA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164933025	721881527	/nfs/dbraw/zinc/88/15/27/721881527.db2.gz	KVHJSFKIVBEPCF-RTBURBONSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164933025	721881528	/nfs/dbraw/zinc/88/15/28/721881528.db2.gz	KVHJSFKIVBEPCF-RTBURBONSA-N	1	1	409.600	1.763	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@H]4[C@H](CC(=O)NC5CCC5)OC[C@@H]4C3)n2)CC1	ZINC001164932439	721897503	/nfs/dbraw/zinc/89/75/03/721897503.db2.gz	HYICBKVNDIBUHV-UHOSZYNNSA-N	1	1	414.554	1.129	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CCN(C(N)=O)CC2)c1C[N@H+]1CC[C@H](CO)C1	ZINC001165044613	721940923	/nfs/dbraw/zinc/94/09/23/721940923.db2.gz	OVGIHDJHEHFJAY-HNNXBMFYSA-N	1	1	418.542	1.081	20	0		HDADMO
CN(C)Cc1ccnc(N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1	ZINC001164952397	721991556	/nfs/dbraw/zinc/99/15/56/721991556.db2.gz	PIUYLWQPYFFZKI-FXAWDEMLSA-N	1	1	408.568	1.743	20	0		HDADMO
O=S(=O)(c1cccnc1N1CC[NH+](CCc2ccccn2)CC1)N1CCCC1	ZINC001165055431	722015632	/nfs/dbraw/zinc/01/56/32/722015632.db2.gz	JNWIXALDKQKZJG-UHFFFAOYSA-N	1	1	401.536	1.626	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)n2)CC1	ZINC001164963089	722029772	/nfs/dbraw/zinc/02/97/72/722029772.db2.gz	ZSMNGSHYPAXBIG-LMMKCTJWSA-N	1	1	414.485	1.578	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)CC1	ZINC001164967169	722074058	/nfs/dbraw/zinc/07/40/58/722074058.db2.gz	MEXQHESKUQJNRC-HDICACEKSA-N	1	1	401.511	1.165	20	0		HDADMO
COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12	ZINC001164983070	722126515	/nfs/dbraw/zinc/12/65/15/722126515.db2.gz	XXGRPZCUOGYKBN-FUHWJXTLSA-N	1	1	422.489	1.867	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164983732	722129288	/nfs/dbraw/zinc/12/92/88/722129288.db2.gz	ZLDXUQQBQGJYPS-QZTJIDSGSA-N	1	1	417.535	1.112	20	0		HDADMO
CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21	ZINC001164979678	722137204	/nfs/dbraw/zinc/13/72/04/722137204.db2.gz	LSOLBWBAHKUSFN-SJORKVTESA-N	1	1	408.506	1.829	20	0		HDADMO
Cc1cc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)C(=O)NC2=O	ZINC001164984640	722138412	/nfs/dbraw/zinc/13/84/12/722138412.db2.gz	YDCBNYHKGJYLMU-FUHWJXTLSA-N	1	1	407.474	1.396	20	0		HDADMO
c1ncn(Cc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)n1	ZINC001164977028	722141669	/nfs/dbraw/zinc/14/16/69/722141669.db2.gz	HUCUWBQSJIDWBK-NHCUHLMSSA-N	1	1	405.506	1.844	20	0		HDADMO
O=c1ccccn1-c1nccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164984173	722145806	/nfs/dbraw/zinc/14/58/06/722145806.db2.gz	VZGLUORVFBXXCA-VQTJNVASSA-N	1	1	418.501	1.750	20	0		HDADMO
CCOC(=O)c1cc(C)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164997090	722230578	/nfs/dbraw/zinc/23/05/78/722230578.db2.gz	OZAOMSGGEYPDEI-UHFFFAOYSA-N	1	1	410.522	1.714	20	0		HDADMO
CCOC(=O)c1c(C)ccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996273	722235979	/nfs/dbraw/zinc/23/59/79/722235979.db2.gz	APRXMAHJXNGZLJ-UHFFFAOYSA-N	1	1	410.522	1.714	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(=O)NC(C)(C)C)ccn2)CC3)CC1	ZINC001164997579	722236118	/nfs/dbraw/zinc/23/61/18/722236118.db2.gz	QZJYNLSSOYWOLL-UHFFFAOYSA-N	1	1	423.565	1.757	20	0		HDADMO
CCCNC(=O)c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1	ZINC001165001579	722237406	/nfs/dbraw/zinc/23/74/06/722237406.db2.gz	JHHAVNYBQZNIMT-UHFFFAOYSA-N	1	1	409.538	1.368	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1	ZINC001165002634	722240830	/nfs/dbraw/zinc/24/08/30/722240830.db2.gz	DZEBCKXQLHCXHT-UHFFFAOYSA-N	1	1	416.551	1.022	20	0		HDADMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000429044446	1073456792	/nfs/dbraw/zinc/45/67/92/1073456792.db2.gz	UIZMCLQOOJSHKV-SIKLNZKXSA-N	1	1	400.523	1.589	20	0		HDADMO
CC(C)(C(N)=O)N1CCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1	ZINC000429043647	1073460121	/nfs/dbraw/zinc/46/01/21/1073460121.db2.gz	PMZIYSZKNGABCT-SFHVURJKSA-N	1	1	419.595	1.195	20	0		HDADMO
CC(C)(C(N)=O)N1CCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1	ZINC000429043647	1073460125	/nfs/dbraw/zinc/46/01/25/1073460125.db2.gz	PMZIYSZKNGABCT-SFHVURJKSA-N	1	1	419.595	1.195	20	0		HDADMO
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429050193	1073465472	/nfs/dbraw/zinc/46/54/72/1073465472.db2.gz	XORKPHKNTXNQMY-DLBZAZTESA-N	1	1	413.609	1.684	20	0		HDADMO
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429050193	1073465475	/nfs/dbraw/zinc/46/54/75/1073465475.db2.gz	XORKPHKNTXNQMY-DLBZAZTESA-N	1	1	413.609	1.684	20	0		HDADMO
CC(=O)N[C@](C)(C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(S(C)(=O)=O)cc1	ZINC001299281581	1073493402	/nfs/dbraw/zinc/49/34/02/1073493402.db2.gz	PJVTWBBNWDVTLK-XLIONFOSSA-N	1	1	409.552	1.383	20	0		HDADMO
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673647006	1073527624	/nfs/dbraw/zinc/52/76/24/1073527624.db2.gz	CMKKJDSNZLJVOI-FQEVSTJZSA-N	1	1	414.531	1.920	20	0		HDADMO
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673647006	1073527633	/nfs/dbraw/zinc/52/76/33/1073527633.db2.gz	CMKKJDSNZLJVOI-FQEVSTJZSA-N	1	1	414.531	1.920	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1C	ZINC000509106252	1073541701	/nfs/dbraw/zinc/54/17/01/1073541701.db2.gz	CPGXMGAWRIHHRD-NVXWUHKLSA-N	1	1	404.902	1.911	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625183266	1073543259	/nfs/dbraw/zinc/54/32/59/1073543259.db2.gz	MEHZOFPVPPKVMD-LSDHHAIUSA-N	1	1	401.554	1.128	20	0		HDADMO
CNC(=O)COc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1OC	ZINC000625180615	1073547367	/nfs/dbraw/zinc/54/73/67/1073547367.db2.gz	ARYCARZQMDOHEA-KRWDZBQOSA-N	1	1	405.495	1.147	20	0		HDADMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](CCCO)c1ccccc1	ZINC000509109322	1073549750	/nfs/dbraw/zinc/54/97/50/1073549750.db2.gz	IPCSWINKSBQIID-IBGZPJMESA-N	1	1	405.539	1.433	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccccc1F)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625189615	1073555573	/nfs/dbraw/zinc/55/55/73/1073555573.db2.gz	NEZJKYYNWPYGCO-MRXNPFEDSA-N	1	1	413.515	1.207	20	0		HDADMO
O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625185612	1073564084	/nfs/dbraw/zinc/56/40/84/1073564084.db2.gz	SPVGADLYAZPLGR-CYBMUJFWSA-N	1	1	421.972	1.393	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000022462369	1073564565	/nfs/dbraw/zinc/56/45/65/1073564565.db2.gz	VMNPZMSYRSEINN-UHFFFAOYSA-N	1	1	421.563	1.892	20	0		HDADMO
COC(=O)C[C@@](C)([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccccn1	ZINC000509120953	1073591521	/nfs/dbraw/zinc/59/15/21/1073591521.db2.gz	GDEUFAALUPGMSZ-HXUWFJFHSA-N	1	1	405.520	1.911	20	0		HDADMO
CN1C(=O)C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)[C@@H]1c1ccc(Cl)cc1	ZINC000509119419	1073597160	/nfs/dbraw/zinc/59/71/60/1073597160.db2.gz	CHMQWGPIKNHNKE-JZXOWHBKSA-N	1	1	421.929	1.251	20	0		HDADMO
CN(C)C(=O)CCCC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000673658098	1073598318	/nfs/dbraw/zinc/59/83/18/1073598318.db2.gz	BVRRGXZMMOZDCX-UHFFFAOYSA-N	1	1	403.527	1.094	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1	ZINC000673667418	1073619607	/nfs/dbraw/zinc/61/96/07/1073619607.db2.gz	XEGZLNMKRCTFDC-LPHOPBHVSA-N	1	1	411.506	1.137	20	0		HDADMO
Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCC1	ZINC000673666772	1073620310	/nfs/dbraw/zinc/62/03/10/1073620310.db2.gz	IIXRKOGBNIISPB-INIZCTEOSA-N	1	1	410.540	1.483	20	0		HDADMO
CN(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl	ZINC000673673090	1073628005	/nfs/dbraw/zinc/62/80/05/1073628005.db2.gz	QIQPKGZMMQINPO-HNAYVOBHSA-N	1	1	412.937	1.605	20	0		HDADMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1	ZINC000673692873	1073636919	/nfs/dbraw/zinc/63/69/19/1073636919.db2.gz	QMHHBSZCFGGEGV-MRXNPFEDSA-N	1	1	411.524	1.104	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1	ZINC000673682372	1073638145	/nfs/dbraw/zinc/63/81/45/1073638145.db2.gz	YTLXQTCTZAWJJX-UYAOXDASSA-N	1	1	423.517	1.910	20	0		HDADMO
Cc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1S(N)(=O)=O	ZINC000673683080	1073638956	/nfs/dbraw/zinc/63/89/56/1073638956.db2.gz	VPRKXITUEPDTHI-UHFFFAOYSA-N	1	1	408.568	1.323	20	0		HDADMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cn(C)nc1I	ZINC001128530122	1073643489	/nfs/dbraw/zinc/64/34/89/1073643489.db2.gz	QHESCTLKSGODIY-LLVKDONJSA-N	1	1	418.279	1.350	20	0		HDADMO
CN(c1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1)S(C)(=O)=O	ZINC000673703730	1073644840	/nfs/dbraw/zinc/64/48/40/1073644840.db2.gz	DAWDJWZGHAGYMG-SFHVURJKSA-N	1	1	408.568	1.956	20	0		HDADMO
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1	ZINC000673707349	1073646145	/nfs/dbraw/zinc/64/61/45/1073646145.db2.gz	UUVNNYPIEIJUTG-FKBYEOEOSA-N	1	1	416.566	1.921	20	0		HDADMO
CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1	ZINC000673706160	1073646269	/nfs/dbraw/zinc/64/62/69/1073646269.db2.gz	DOOVPDDADNDHOP-QGZVFWFLSA-N	1	1	403.527	1.116	20	0		HDADMO
CCOC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1	ZINC000673710391	1073650057	/nfs/dbraw/zinc/65/00/57/1073650057.db2.gz	YXTKVYZSDBLXNF-NJDAHSKKSA-N	1	1	405.539	1.940	20	0		HDADMO
CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H]2C)CC1	ZINC001299285400	1073650886	/nfs/dbraw/zinc/65/08/86/1073650886.db2.gz	OBGPFELJEKPUEP-KRWDZBQOSA-N	1	1	412.542	1.210	20	0		HDADMO
CC(C)(O)C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)C1CCOCC1	ZINC000673713007	1073652684	/nfs/dbraw/zinc/65/26/84/1073652684.db2.gz	XMJWTLMCPZLWQX-UHFFFAOYSA-N	1	1	417.550	1.677	20	0		HDADMO
C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000673713580	1073652820	/nfs/dbraw/zinc/65/28/20/1073652820.db2.gz	DZQPQDDOUPSJIP-APWZRJJASA-N	1	1	416.547	1.867	20	0		HDADMO
COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Br)nn2C)c1	ZINC000785470662	1073655164	/nfs/dbraw/zinc/65/51/64/1073655164.db2.gz	MAKTTWRUEUWJRN-UHFFFAOYSA-N	1	1	417.329	1.397	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1	ZINC000429117892	1073672330	/nfs/dbraw/zinc/67/23/30/1073672330.db2.gz	WABYNNNOZMSZOH-MRXNPFEDSA-N	1	1	405.543	1.792	20	0		HDADMO
CCC[C@H]1C[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCO1	ZINC000509130566	1073680716	/nfs/dbraw/zinc/68/07/16/1073680716.db2.gz	YGDLUWYGNFYZBW-PMACEKPBSA-N	1	1	409.571	1.659	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2CC1	ZINC000946689583	1073687521	/nfs/dbraw/zinc/68/75/21/1073687521.db2.gz	GBBKTZZFFGYTNN-OSFNYYGPSA-N	1	1	401.551	1.593	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1	ZINC000673754681	1073688878	/nfs/dbraw/zinc/68/88/78/1073688878.db2.gz	CSOAANUQSSGFNB-UHFFFAOYSA-N	1	1	402.539	1.233	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673757832	1073696770	/nfs/dbraw/zinc/69/67/70/1073696770.db2.gz	HERFFHITTCVVGB-OAHLLOKOSA-N	1	1	407.522	1.989	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000673758734	1073698227	/nfs/dbraw/zinc/69/82/27/1073698227.db2.gz	SIEJWRLHOIGARG-KRWDZBQOSA-N	1	1	416.547	1.869	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429134470	1073738424	/nfs/dbraw/zinc/73/84/24/1073738424.db2.gz	KFKJTJCDBGOXSW-IRXDYDNUSA-N	1	1	411.572	1.123	20	0		HDADMO
C[C@@H](CCNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1	ZINC000673788213	1073742575	/nfs/dbraw/zinc/74/25/75/1073742575.db2.gz	BSJPQXPKWWSLAG-AWEZNQCLSA-N	1	1	400.454	1.890	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000429138155	1073746639	/nfs/dbraw/zinc/74/66/39/1073746639.db2.gz	DPKORYVECMNYEL-WMZOPIPTSA-N	1	1	421.563	1.596	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000429138155	1073746652	/nfs/dbraw/zinc/74/66/52/1073746652.db2.gz	DPKORYVECMNYEL-WMZOPIPTSA-N	1	1	421.563	1.596	20	0		HDADMO
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000429153241	1073793724	/nfs/dbraw/zinc/79/37/24/1073793724.db2.gz	CMAIJRXCNZYSEE-ZDUSSCGKSA-N	1	1	402.417	1.817	20	0		HDADMO
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000429153241	1073793741	/nfs/dbraw/zinc/79/37/41/1073793741.db2.gz	CMAIJRXCNZYSEE-ZDUSSCGKSA-N	1	1	402.417	1.817	20	0		HDADMO
Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H](CC(N)=O)C3CCOCC3)s2)cc1	ZINC000543490408	1073795824	/nfs/dbraw/zinc/79/58/24/1073795824.db2.gz	DHFRBZMWDOIKNX-INIZCTEOSA-N	1	1	417.535	1.537	20	0		HDADMO
Cc1nc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)nn1-c1nc(C(F)(F)F)n[nH]1	ZINC000673834445	1073807758	/nfs/dbraw/zinc/80/77/58/1073807758.db2.gz	WHBZFEQGMJAQPO-UHFFFAOYSA-N	1	1	414.436	1.905	20	0		HDADMO
Cc1nc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000673834445	1073807767	/nfs/dbraw/zinc/80/77/67/1073807767.db2.gz	WHBZFEQGMJAQPO-UHFFFAOYSA-N	1	1	414.436	1.905	20	0		HDADMO
Cc1nc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000673834445	1073807778	/nfs/dbraw/zinc/80/77/78/1073807778.db2.gz	WHBZFEQGMJAQPO-UHFFFAOYSA-N	1	1	414.436	1.905	20	0		HDADMO
C[N@@H+](CCN1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1)Cc1ccccc1	ZINC000673835979	1073811483	/nfs/dbraw/zinc/81/14/83/1073811483.db2.gz	OCZQZJJFADBUJH-OAQYLSRUSA-N	1	1	408.550	1.722	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCCN3c3ncccn3)c2)C1	ZINC000673837997	1073812633	/nfs/dbraw/zinc/81/26/33/1073812633.db2.gz	QNLWEMLSRKMMAG-VQTJNVASSA-N	1	1	422.533	1.459	20	0		HDADMO
CN(CCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)S(C)(=O)=O	ZINC000673849021	1073815648	/nfs/dbraw/zinc/81/56/48/1073815648.db2.gz	FQNUNPXXIXTXNM-OAQYLSRUSA-N	1	1	422.595	1.966	20	0		HDADMO
CN(CCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)S(C)(=O)=O	ZINC000673849020	1073815873	/nfs/dbraw/zinc/81/58/73/1073815873.db2.gz	FQNUNPXXIXTXNM-NRFANRHFSA-N	1	1	422.595	1.966	20	0		HDADMO
CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1	ZINC000673872273	1073837577	/nfs/dbraw/zinc/83/75/77/1073837577.db2.gz	AZWKAJZUFIVWSN-UHFFFAOYSA-N	1	1	416.570	1.338	20	0		HDADMO
CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000673872334	1073838032	/nfs/dbraw/zinc/83/80/32/1073838032.db2.gz	DUVJQMPJTRIKIC-OAHLLOKOSA-N	1	1	403.527	1.470	20	0		HDADMO
COCCNC(=O)C1CC[NH+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1	ZINC000673915010	1073887294	/nfs/dbraw/zinc/88/72/94/1073887294.db2.gz	LLGHTFMKTIBXFV-LJQANCHMSA-N	1	1	405.495	1.284	20	0		HDADMO
CCOC[C@@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000673916045	1073887778	/nfs/dbraw/zinc/88/77/78/1073887778.db2.gz	UFFBXCDEXHZPHK-GOSISDBHSA-N	1	1	417.554	1.787	20	0		HDADMO
Cc1c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000673935791	1073908516	/nfs/dbraw/zinc/90/85/16/1073908516.db2.gz	STWPMLPTSISQIT-UNMCSNQZSA-N	1	1	403.486	1.952	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C3)CC[N@H+]1C	ZINC001004869336	1073917223	/nfs/dbraw/zinc/91/72/23/1073917223.db2.gz	GPQMBXRWYBIEEB-JJTUDDRGSA-N	1	1	401.511	1.391	20	0		HDADMO
Cc1c(C(=O)NC[C@@H](O)COCC(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000673944124	1073918432	/nfs/dbraw/zinc/91/84/32/1073918432.db2.gz	FDYVBNYUXKRZQK-QGZVFWFLSA-N	1	1	401.511	1.327	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[NH2+]C(C)(C)c2ncc(C)s2)c(=O)[nH]c1=O	ZINC000543509815	1073923971	/nfs/dbraw/zinc/92/39/71/1073923971.db2.gz	VDEOEEJTUOZMNJ-UHFFFAOYSA-N	1	1	422.555	1.974	20	0		HDADMO
COc1ccc2cc(CN(C)C(=O)C[N@H+](CCO)CCN3CCOCC3)ccc2c1	ZINC000484375067	1073955702	/nfs/dbraw/zinc/95/57/02/1073955702.db2.gz	HAWWTYKBARJPLR-UHFFFAOYSA-N	1	1	415.534	1.433	20	0		HDADMO
COc1ccc2cc(CN(C)C(=O)C[N@@H+](CCO)CCN3CCOCC3)ccc2c1	ZINC000484375067	1073955705	/nfs/dbraw/zinc/95/57/05/1073955705.db2.gz	HAWWTYKBARJPLR-UHFFFAOYSA-N	1	1	415.534	1.433	20	0		HDADMO
CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H](C)c1cnn(C)c1C	ZINC000543518213	1073963883	/nfs/dbraw/zinc/96/38/83/1073963883.db2.gz	HLDGQHGKOKTDQF-SNVBAGLBSA-N	1	1	407.496	1.663	20	0		HDADMO
C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000543518646	1073974775	/nfs/dbraw/zinc/97/47/75/1073974775.db2.gz	YCTCMSOCQHCUFL-QWHCGFSZSA-N	1	1	410.434	1.888	20	0		HDADMO
COc1ccccc1CCNC(=O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000543521542	1073979896	/nfs/dbraw/zinc/97/98/96/1073979896.db2.gz	AHCBCMUUNHCSRV-UHFFFAOYSA-N	1	1	402.583	1.703	20	0		HDADMO
CN1CC[NH+](CC2(C)CCN(CC3=Nc4ccccc4S(=O)(=O)N3)CC2)CC1	ZINC000543521243	1073985770	/nfs/dbraw/zinc/98/57/70/1073985770.db2.gz	MHJDUPOUNNLENF-UHFFFAOYSA-N	1	1	405.568	1.358	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1	ZINC000429184369	1074000723	/nfs/dbraw/zinc/00/07/23/1074000723.db2.gz	BFZQFASZJWJEBF-IBGZPJMESA-N	1	1	401.559	1.257	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1	ZINC000484452958	1074011526	/nfs/dbraw/zinc/01/15/26/1074011526.db2.gz	NXQUIFGALMYAOP-DBXWQHBBSA-N	1	1	407.530	1.373	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1	ZINC000484452958	1074011537	/nfs/dbraw/zinc/01/15/37/1074011537.db2.gz	NXQUIFGALMYAOP-DBXWQHBBSA-N	1	1	407.530	1.373	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](NC(=O)NC)C3)cc2)CC1	ZINC000466584920	1074017018	/nfs/dbraw/zinc/01/70/18/1074017018.db2.gz	LTDJBTZCZMECLR-LJQANCHMSA-N	1	1	402.543	1.037	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CCOC)c2)C3)CC[N@H+]1C	ZINC001005062802	1074028623	/nfs/dbraw/zinc/02/86/23/1074028623.db2.gz	YHYKMWXQSLHHQZ-ZRSRNVLSSA-N	1	1	403.527	1.122	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](NC(=O)NC)C2)CC1	ZINC000466584093	1074030822	/nfs/dbraw/zinc/03/08/22/1074030822.db2.gz	JMQFCZIQSDDOQQ-IBGZPJMESA-N	1	1	402.543	1.037	20	0		HDADMO
O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@H]2C1	ZINC000466584161	1074031399	/nfs/dbraw/zinc/03/13/99/1074031399.db2.gz	HHCBJDGDLXNCHJ-HOTGVXAUSA-N	1	1	411.428	1.699	20	0		HDADMO
O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1	ZINC000429191441	1074034167	/nfs/dbraw/zinc/03/41/67/1074034167.db2.gz	GYZYRBAGVMKSFN-WOJBJXKFSA-N	1	1	410.522	1.380	20	0		HDADMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000466589067	1074040588	/nfs/dbraw/zinc/04/05/88/1074040588.db2.gz	VQFDHECIXUYIKD-OXJNMPFZSA-N	1	1	420.579	1.763	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O	ZINC000466595522	1074049678	/nfs/dbraw/zinc/04/96/78/1074049678.db2.gz	IKLHDTQNGXXQML-FGTMMUONSA-N	1	1	402.543	1.326	20	0		HDADMO
CNS(=O)(=O)N1CCC(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1	ZINC000509199551	1074063667	/nfs/dbraw/zinc/06/36/67/1074063667.db2.gz	YEWIJYOASZCKRM-UHFFFAOYSA-N	1	1	422.595	1.330	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccnc(O[C@H]4CCOC4)c3)cc2)CC1	ZINC000543550450	1074071637	/nfs/dbraw/zinc/07/16/37/1074071637.db2.gz	UUVUABHFGNTYGV-FQEVSTJZSA-N	1	1	424.501	1.818	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CC23CCOCC3)cc1	ZINC000674014275	1074072153	/nfs/dbraw/zinc/07/21/53/1074072153.db2.gz	GTIZISURYVLQNM-LJQANCHMSA-N	1	1	400.523	1.652	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)c2cccs2)CC1	ZINC000674027571	1074094097	/nfs/dbraw/zinc/09/40/97/1074094097.db2.gz	OQKHBLJVGNSHNS-AWEZNQCLSA-N	1	1	402.586	1.159	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C(=O)N1c1cnn(C)c1	ZINC000674033477	1074101478	/nfs/dbraw/zinc/10/14/78/1074101478.db2.gz	KVIMROYRANWWSH-RDTXWAMCSA-N	1	1	402.474	1.484	20	0		HDADMO
O=C(NCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cnccn1	ZINC000509209358	1074132087	/nfs/dbraw/zinc/13/20/87/1074132087.db2.gz	GROCYKHCHMRFLU-INIZCTEOSA-N	1	1	403.433	1.480	20	0		HDADMO
CN1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](c2ccccc2)C1	ZINC000059297525	1074135417	/nfs/dbraw/zinc/13/54/17/1074135417.db2.gz	HSBZOPSTGWPHGY-OAQYLSRUSA-N	1	1	423.565	1.687	20	0		HDADMO
CC(C)(c1nnc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)o1)S(C)(=O)=O	ZINC001168752258	1074146526	/nfs/dbraw/zinc/14/65/26/1074146526.db2.gz	HADVRNQASXAYBE-CQSZACIVSA-N	1	1	410.471	1.145	20	0		HDADMO
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000229623946	1074147037	/nfs/dbraw/zinc/14/70/37/1074147037.db2.gz	NKKVSOUQOBYANO-LSDHHAIUSA-N	1	1	424.542	1.590	20	0		HDADMO
CC[N@H+]1CCC[C@H](CNC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)C1	ZINC000543581486	1074168552	/nfs/dbraw/zinc/16/85/52/1074168552.db2.gz	KUROLNUDKPKILQ-MRXNPFEDSA-N	1	1	412.556	1.731	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1	ZINC000674062252	1074176372	/nfs/dbraw/zinc/17/63/72/1074176372.db2.gz	IWIXHSYEAHRUBF-GOSISDBHSA-N	1	1	417.554	1.403	20	0		HDADMO
CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC001626098350	1074182201	/nfs/dbraw/zinc/18/22/01/1074182201.db2.gz	DLHNHPNSXPBCFW-OAHLLOKOSA-N	1	1	410.540	1.343	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)nc(C)[nH+]1	ZINC000674132613	1074187911	/nfs/dbraw/zinc/18/79/11/1074187911.db2.gz	CABLIRVZXXLWQT-UHFFFAOYSA-N	1	1	408.462	1.695	20	0		HDADMO
CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674149903	1074198748	/nfs/dbraw/zinc/19/87/48/1074198748.db2.gz	JRGVNMLYBCHLOE-RTBURBONSA-N	1	1	408.568	1.622	20	0		HDADMO
CC[C@H](C[C@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000674222933	1074232022	/nfs/dbraw/zinc/23/20/22/1074232022.db2.gz	BDOOHNUXMRIZPM-FUHWJXTLSA-N	1	1	418.538	1.316	20	0		HDADMO
CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2OCc2ccccc2)CC1	ZINC000674222333	1074232842	/nfs/dbraw/zinc/23/28/42/1074232842.db2.gz	PZYKOWGUGLZAPN-SFHVURJKSA-N	1	1	412.490	1.514	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccncc1	ZINC000674225761	1074233493	/nfs/dbraw/zinc/23/34/93/1074233493.db2.gz	BAZCFLOSFWQWID-INIZCTEOSA-N	1	1	409.490	1.328	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccncc1	ZINC000674225763	1074233655	/nfs/dbraw/zinc/23/36/55/1074233655.db2.gz	BAZCFLOSFWQWID-MRXNPFEDSA-N	1	1	409.490	1.328	20	0		HDADMO
O=C(Nc1cc(F)ccc1N1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000674229392	1074235931	/nfs/dbraw/zinc/23/59/31/1074235931.db2.gz	LRZRJABIBIBIFU-QGZVFWFLSA-N	1	1	418.513	1.935	20	0		HDADMO
CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1	ZINC000140845203	1074242228	/nfs/dbraw/zinc/24/22/28/1074242228.db2.gz	OMXODJTWVVENBA-MRXNPFEDSA-N	1	1	408.543	1.304	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)C1	ZINC000674299634	1074263683	/nfs/dbraw/zinc/26/36/83/1074263683.db2.gz	RORBQLQILHIWPI-OALUTQOASA-N	1	1	419.957	1.867	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1	ZINC000674326522	1074276321	/nfs/dbraw/zinc/27/63/21/1074276321.db2.gz	MXAAEKZXOCFBNF-SJLPKXTDSA-N	1	1	417.531	1.882	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1	ZINC000674326524	1074277001	/nfs/dbraw/zinc/27/70/01/1074277001.db2.gz	MXAAEKZXOCFBNF-WMZOPIPTSA-N	1	1	417.531	1.882	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H](C)C3CC3)cc2)CC1	ZINC000674321229	1074281802	/nfs/dbraw/zinc/28/18/02/1074281802.db2.gz	XBOXKSAAOUREJJ-INIZCTEOSA-N	1	1	400.523	1.494	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C1	ZINC000674428390	1074317030	/nfs/dbraw/zinc/31/70/30/1074317030.db2.gz	XCWJOEGEMQJWKT-DLRJPAPCSA-N	1	1	407.559	1.764	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1	ZINC000674424336	1074325560	/nfs/dbraw/zinc/32/55/60/1074325560.db2.gz	KMBZVRHJMSZFCH-QWRGUYRKSA-N	1	1	404.355	1.579	20	0		HDADMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1ccccc1N	ZINC000670472471	1074340473	/nfs/dbraw/zinc/34/04/73/1074340473.db2.gz	OCIMPYDTXFBFDC-SFHVURJKSA-N	1	1	416.547	1.528	20	0		HDADMO
C[C@H](CNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1	ZINC000674432032	1074342598	/nfs/dbraw/zinc/34/25/98/1074342598.db2.gz	GEQWKDKXGNHVPG-QLVMHMETSA-N	1	1	401.511	1.527	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC000674432867	1074343836	/nfs/dbraw/zinc/34/38/36/1074343836.db2.gz	PRWMZIZEVYSPNK-CDMIOBSGSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC000674432867	1074343843	/nfs/dbraw/zinc/34/38/43/1074343843.db2.gz	PRWMZIZEVYSPNK-CDMIOBSGSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)[C@@H]1C	ZINC000674479499	1074379303	/nfs/dbraw/zinc/37/93/03/1074379303.db2.gz	VBVNNCWWOYTKFF-IAGOWNOFSA-N	1	1	415.538	1.092	20	0		HDADMO
COc1cc(NC(=O)CC[N@@H+](C)CCN2CCCS2(=O)=O)cc(OC)c1OC	ZINC000674496469	1074407425	/nfs/dbraw/zinc/40/74/25/1074407425.db2.gz	XCBATZDEONXNMG-UHFFFAOYSA-N	1	1	415.512	1.008	20	0		HDADMO
COc1ccc(-c2n[nH]cc2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1	ZINC001626101394	1074416946	/nfs/dbraw/zinc/41/69/46/1074416946.db2.gz	OVYLCJHSSYRESO-UHFFFAOYSA-N	1	1	400.479	1.697	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)C[C@@H]2C)CC1	ZINC000674535409	1074424722	/nfs/dbraw/zinc/42/47/22/1074424722.db2.gz	BZMHVDJEFJHRJN-WDYCEAGBSA-N	1	1	404.511	1.045	20	0		HDADMO
CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH+]1CCCC1	ZINC000674567281	1074443219	/nfs/dbraw/zinc/44/32/19/1074443219.db2.gz	LIFUEVYOMRASLP-INIZCTEOSA-N	1	1	415.943	1.085	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O	ZINC000674582310	1074459993	/nfs/dbraw/zinc/45/99/93/1074459993.db2.gz	VAJNSKDKEDRAOJ-CEQIKUNHSA-N	1	1	402.470	1.627	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O	ZINC000674582310	1074459996	/nfs/dbraw/zinc/45/99/96/1074459996.db2.gz	VAJNSKDKEDRAOJ-CEQIKUNHSA-N	1	1	402.470	1.627	20	0		HDADMO
CC(C)(C)OCc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000674586312	1074466640	/nfs/dbraw/zinc/46/66/40/1074466640.db2.gz	MWZVYVPALAFEIR-KRWDZBQOSA-N	1	1	418.538	1.644	20	0		HDADMO
Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1	ZINC000509230961	1074473314	/nfs/dbraw/zinc/47/33/14/1074473314.db2.gz	CKXXPDKXNPNJKX-CBQGHPETSA-N	1	1	412.578	1.732	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O	ZINC000674595207	1074474310	/nfs/dbraw/zinc/47/43/10/1074474310.db2.gz	TWXGAIZCBYIGEL-AEFFLSMTSA-N	1	1	402.470	1.533	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1	ZINC000674630612	1074495439	/nfs/dbraw/zinc/49/54/39/1074495439.db2.gz	FJUNYWPBJKKZBY-FUHWJXTLSA-N	1	1	420.558	1.884	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1	ZINC000674630613	1074495602	/nfs/dbraw/zinc/49/56/02/1074495602.db2.gz	FJUNYWPBJKKZBY-SJLPKXTDSA-N	1	1	420.558	1.884	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCOC2CCOCC2)cc1	ZINC000674658037	1074505310	/nfs/dbraw/zinc/50/53/10/1074505310.db2.gz	DUWIGYHUWWWJOZ-UHFFFAOYSA-N	1	1	418.538	1.421	20	0		HDADMO
CS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1	ZINC000674684441	1074522821	/nfs/dbraw/zinc/52/28/21/1074522821.db2.gz	DFFWIJKHCIHDCN-QGZVFWFLSA-N	1	1	405.520	1.971	20	0		HDADMO
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1	ZINC001128786972	1074526401	/nfs/dbraw/zinc/52/64/01/1074526401.db2.gz	ZYQDUEQKWYFGDR-ZBFHGGJFSA-N	1	1	413.565	1.802	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1	ZINC000674778533	1074553364	/nfs/dbraw/zinc/55/33/64/1074553364.db2.gz	LBGOXOMVTWJWTP-KBXCAEBGSA-N	1	1	421.492	1.538	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1	ZINC000674778533	1074553370	/nfs/dbraw/zinc/55/33/70/1074553370.db2.gz	LBGOXOMVTWJWTP-KBXCAEBGSA-N	1	1	421.492	1.538	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCCOC[C@@H]3CCOC3)C2)cc(OC)c1	ZINC000674777043	1074553451	/nfs/dbraw/zinc/55/34/51/1074553451.db2.gz	HBAFKGBLGVRQHQ-AEFFLSMTSA-N	1	1	407.511	1.630	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCCOC[C@@H]3CCOC3)C2)cc(OC)c1	ZINC000674777043	1074553458	/nfs/dbraw/zinc/55/34/58/1074553458.db2.gz	HBAFKGBLGVRQHQ-AEFFLSMTSA-N	1	1	407.511	1.630	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1	ZINC000674761230	1074554701	/nfs/dbraw/zinc/55/47/01/1074554701.db2.gz	AYBXNAUHDJNBPA-WMLDXEAASA-N	1	1	405.524	1.965	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCc3nnnn3C3CC3)C2)cc(OC)c1	ZINC000674780947	1074563085	/nfs/dbraw/zinc/56/30/85/1074563085.db2.gz	QTEYUJGBSFZZOL-AWEZNQCLSA-N	1	1	401.471	1.099	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCc3nnnn3C3CC3)C2)cc(OC)c1	ZINC000674780947	1074563088	/nfs/dbraw/zinc/56/30/88/1074563088.db2.gz	QTEYUJGBSFZZOL-AWEZNQCLSA-N	1	1	401.471	1.099	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(OCC2CC2)c1	ZINC000674783778	1074564490	/nfs/dbraw/zinc/56/44/90/1074564490.db2.gz	QEGLNKLJKQQMHA-NRFANRHFSA-N	1	1	416.566	1.990	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[C@H]1C[N@H+](C)CCO1	ZINC000674811381	1074576293	/nfs/dbraw/zinc/57/62/93/1074576293.db2.gz	DDFGOPVMMXTKSG-CRAIPNDOSA-N	1	1	416.547	1.380	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[C@H]1C[N@@H+](C)CCO1	ZINC000674811381	1074576302	/nfs/dbraw/zinc/57/63/02/1074576302.db2.gz	DDFGOPVMMXTKSG-CRAIPNDOSA-N	1	1	416.547	1.380	20	0		HDADMO
O[C@@H](C[NH+]1CCN(c2ncc(I)cn2)CC1)c1ccccc1	ZINC000766077271	1074580646	/nfs/dbraw/zinc/58/06/46/1074580646.db2.gz	NXJFJIYSPRSKAU-HNNXBMFYSA-N	1	1	410.259	1.937	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1	ZINC000674893031	1074610137	/nfs/dbraw/zinc/61/01/37/1074610137.db2.gz	TZBCWUREYDXSSN-YJBOKZPZSA-N	1	1	421.492	1.492	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(OCCCO)CC2)CC1	ZINC000674914142	1074612492	/nfs/dbraw/zinc/61/24/92/1074612492.db2.gz	LRDHXWYFWLRSET-UHFFFAOYSA-N	1	1	403.567	1.893	20	0		HDADMO
O=C(C[NH+]1CCC(OCCCO)CC1)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000674914058	1074613080	/nfs/dbraw/zinc/61/30/80/1074613080.db2.gz	GWGXLXJWKGCWGI-UHFFFAOYSA-N	1	1	421.563	1.678	20	0		HDADMO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000674910306	1074615743	/nfs/dbraw/zinc/61/57/43/1074615743.db2.gz	KMNDDOGLLWQXBR-STZQEDGTSA-N	1	1	417.550	1.403	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000674924425	1074623762	/nfs/dbraw/zinc/62/37/62/1074623762.db2.gz	GCFDULJGQNBSFE-GUDVDZBRSA-N	1	1	403.527	1.182	20	0		HDADMO
CN(C)S(=O)(=O)C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F	ZINC001128904969	1074653307	/nfs/dbraw/zinc/65/33/07/1074653307.db2.gz	UPURLBOFMLOJGD-QWHCGFSZSA-N	1	1	415.865	1.881	20	0		HDADMO
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1	ZINC000674981016	1074657581	/nfs/dbraw/zinc/65/75/81/1074657581.db2.gz	WRONMHNXRVWMBX-PXNSSMCTSA-N	1	1	412.538	1.803	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCCCO[C@@H]3CCOC3)cc2)CC1	ZINC000674981113	1074657752	/nfs/dbraw/zinc/65/77/52/1074657752.db2.gz	UJMBUYQLTRJNEB-LJQANCHMSA-N	1	1	404.511	1.781	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1)[NH+]1CCOCC1	ZINC000674999444	1074666429	/nfs/dbraw/zinc/66/64/29/1074666429.db2.gz	ZTLAUBSROPJGPA-NSISKUIASA-N	1	1	417.506	1.425	20	0		HDADMO
O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1	ZINC000674997877	1074674633	/nfs/dbraw/zinc/67/46/33/1074674633.db2.gz	RLHKTBTZQGPOPQ-NHCUHLMSSA-N	1	1	414.550	1.726	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)c2ccc(N3CCOCC3)nc2)CC1=O	ZINC000543611816	1074697290	/nfs/dbraw/zinc/69/72/90/1074697290.db2.gz	RZMNAHOIQOFGGF-MJGOQNOKSA-N	1	1	415.538	1.214	20	0		HDADMO
C[C@@H](CNC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)C[NH+]1CCOCC1	ZINC000429315278	1074700873	/nfs/dbraw/zinc/70/08/73/1074700873.db2.gz	JBQOGGGMGVTKIU-ICSRJNTNSA-N	1	1	402.539	1.488	20	0		HDADMO
CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1	ZINC000429316547	1074705421	/nfs/dbraw/zinc/70/54/21/1074705421.db2.gz	MAWYRQPKCAUGMP-NRFANRHFSA-N	1	1	416.566	1.972	20	0		HDADMO
O=C(CN1CC[NH+](CC[C@H]2CCOC2=O)CC1)Nc1ccc(Br)cc1	ZINC000766159557	1074720563	/nfs/dbraw/zinc/72/05/63/1074720563.db2.gz	ITZBBIGCMMRLJK-AWEZNQCLSA-N	1	1	410.312	1.958	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CCN2C1=O	ZINC000675108371	1074723489	/nfs/dbraw/zinc/72/34/89/1074723489.db2.gz	TWFYYOOKHWQLBN-WDSOQIARSA-N	1	1	413.522	1.575	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CCN2C1=O	ZINC000675108368	1074723503	/nfs/dbraw/zinc/72/35/03/1074723503.db2.gz	TWFYYOOKHWQLBN-NEWSRXKRSA-N	1	1	413.522	1.575	20	0		HDADMO
CN1CCN(C(=O)c2cc(NC(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)ccn2)CC1	ZINC000543615069	1074742722	/nfs/dbraw/zinc/74/27/22/1074742722.db2.gz	POVANONJXHTACL-FQEVSTJZSA-N	1	1	408.506	1.777	20	0		HDADMO
CN1CCN(C(=O)c2cc(NC(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)ccn2)CC1	ZINC000543615069	1074742728	/nfs/dbraw/zinc/74/27/28/1074742728.db2.gz	POVANONJXHTACL-FQEVSTJZSA-N	1	1	408.506	1.777	20	0		HDADMO
CC1=CC[N@@H+](CCNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1	ZINC000550839026	1074763560	/nfs/dbraw/zinc/76/35/60/1074763560.db2.gz	RXSJBKMJPKSFOU-UHFFFAOYSA-N	1	1	413.444	1.787	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N[C@H]2CC[C@H](CO)CC2)cc1	ZINC000675262261	1074772871	/nfs/dbraw/zinc/77/28/71/1074772871.db2.gz	KIBVVWYKOBIXMF-IYARVYRRSA-N	1	1	417.554	1.569	20	0		HDADMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000675290927	1074782170	/nfs/dbraw/zinc/78/21/70/1074782170.db2.gz	FWORZXXYAVHROR-RTBURBONSA-N	1	1	418.513	1.376	20	0		HDADMO
O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)F)n1	ZINC000444582545	1074787001	/nfs/dbraw/zinc/78/70/01/1074787001.db2.gz	PCHAOLXPCVETPS-INIZCTEOSA-N	1	1	405.449	1.768	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675304896	1074793433	/nfs/dbraw/zinc/79/34/33/1074793433.db2.gz	HTKZTVGXKVUBFI-AEFFLSMTSA-N	1	1	420.941	1.942	20	0		HDADMO
C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H](c2ccsc2)O1	ZINC000675309205	1074796628	/nfs/dbraw/zinc/79/66/28/1074796628.db2.gz	IKIJMOZHFWKHCL-QRQLOZEOSA-N	1	1	408.568	1.626	20	0		HDADMO
CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N3CCOC[C@@H]3C3CC3)cc2F)CC1	ZINC000766105081	1074809326	/nfs/dbraw/zinc/80/93/26/1074809326.db2.gz	RHNOXEGUSUDGBD-HXUWFJFHSA-N	1	1	419.497	1.762	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](C)C2(CO)CCC2)CC1	ZINC000429244998	1074811458	/nfs/dbraw/zinc/81/14/58/1074811458.db2.gz	NCDVEGRGZGPIGO-UHFFFAOYSA-N	1	1	402.539	1.179	20	0		HDADMO
CS(=O)(=O)CC1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1	ZINC000429245887	1074818255	/nfs/dbraw/zinc/81/82/55/1074818255.db2.gz	PZCJQCOLMOLEAL-UHFFFAOYSA-N	1	1	407.536	1.899	20	0		HDADMO
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1	ZINC000766112974	1074820725	/nfs/dbraw/zinc/82/07/25/1074820725.db2.gz	MWEGCRFSIVGTIX-GOSISDBHSA-N	1	1	419.497	1.952	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC[C@@H]21	ZINC000766114328	1074821098	/nfs/dbraw/zinc/82/10/98/1074821098.db2.gz	SLVHBECDDFHEAJ-DOMZBBRYSA-N	1	1	413.490	1.962	20	0		HDADMO
CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2S1(=O)=O	ZINC000766114363	1074821141	/nfs/dbraw/zinc/82/11/41/1074821141.db2.gz	SSXWCZHEJRXIRM-RDJZCZTQSA-N	1	1	405.520	1.796	20	0		HDADMO
CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2S1(=O)=O	ZINC000766114361	1074821246	/nfs/dbraw/zinc/82/12/46/1074821246.db2.gz	SSXWCZHEJRXIRM-NVXWUHKLSA-N	1	1	405.520	1.796	20	0		HDADMO
Cc1cc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cn2cc[nH+]c12	ZINC000502896205	1075092165	/nfs/dbraw/zinc/09/21/65/1075092165.db2.gz	NIALEEKTGFFEBF-UHFFFAOYSA-N	1	1	407.434	1.586	20	0		HDADMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1	ZINC000521292502	1075097095	/nfs/dbraw/zinc/09/70/95/1075097095.db2.gz	QBPFYAOKUXMADB-SFHVURJKSA-N	1	1	420.558	1.903	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(C)C	ZINC000675379464	1075119523	/nfs/dbraw/zinc/11/95/23/1075119523.db2.gz	DCBRFXGUKMPWBP-MRXNPFEDSA-N	1	1	412.893	1.547	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(-n3cnnn3)cc2)CC1	ZINC000041665027	1075121114	/nfs/dbraw/zinc/12/11/14/1075121114.db2.gz	UFJKDLFHMOJZLT-UHFFFAOYSA-N	1	1	405.506	1.730	20	0		HDADMO
O=C(Nc1ccccc1O[C@H]1CCOC1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000675402011	1075126593	/nfs/dbraw/zinc/12/65/93/1075126593.db2.gz	YAHSCNAHIAYUCX-ROUUACIJSA-N	1	1	417.506	1.506	20	0		HDADMO
COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000429342421	1075128287	/nfs/dbraw/zinc/12/82/87/1075128287.db2.gz	YLDVQWYQOLRDLZ-LBPRGKRZSA-N	1	1	411.455	1.029	20	0		HDADMO
COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000429342421	1075128290	/nfs/dbraw/zinc/12/82/90/1075128290.db2.gz	YLDVQWYQOLRDLZ-LBPRGKRZSA-N	1	1	411.455	1.029	20	0		HDADMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(N2CCNC(=O)C2)ccn1	ZINC000429341953	1075129993	/nfs/dbraw/zinc/12/99/93/1075129993.db2.gz	UDNIRHQUYGODQC-HXUWFJFHSA-N	1	1	423.517	1.039	20	0		HDADMO
O=C(NCc1nnc(-c2ccccc2)s1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675424416	1075140472	/nfs/dbraw/zinc/14/04/72/1075140472.db2.gz	XZOWPZSMWWUBLK-QGZVFWFLSA-N	1	1	416.551	1.411	20	0		HDADMO
CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000429345345	1075145178	/nfs/dbraw/zinc/14/51/78/1075145178.db2.gz	CNBNTELRQQOLCY-LAUBAEHRSA-N	1	1	402.495	1.114	20	0		HDADMO
CCN1CCN(C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC1=O	ZINC000543628196	1075147567	/nfs/dbraw/zinc/14/75/67/1075147567.db2.gz	LXRHTMHWYVTEIA-UHFFFAOYSA-N	1	1	401.511	1.089	20	0		HDADMO
CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1	ZINC000670526668	1075148184	/nfs/dbraw/zinc/14/81/84/1075148184.db2.gz	LVBMVSSHXHCPNB-RTBURBONSA-N	1	1	409.571	1.848	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N(CCO)CCc1ccccc1	ZINC000670526943	1075148299	/nfs/dbraw/zinc/14/82/99/1075148299.db2.gz	RZYKLISVHWOJRH-UHFFFAOYSA-N	1	1	417.550	1.201	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccco1	ZINC000670526040	1075149575	/nfs/dbraw/zinc/14/95/75/1075149575.db2.gz	SGPVLYMSHCYIKM-FUHWJXTLSA-N	1	1	407.417	1.877	20	0		HDADMO
C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1	ZINC000429253657	1075151502	/nfs/dbraw/zinc/15/15/02/1075151502.db2.gz	KTXBLOATNDNPEL-PXNSSMCTSA-N	1	1	407.580	1.522	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H](C(F)(F)F)O1	ZINC000670527004	1075154748	/nfs/dbraw/zinc/15/47/48/1075154748.db2.gz	FXDHMMUSLBLNRP-HUUCEWRRSA-N	1	1	421.460	1.316	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNS(=O)(=O)CC[C@H]3CCCO3)c2)C1	ZINC000675461607	1075163070	/nfs/dbraw/zinc/16/30/70/1075163070.db2.gz	WYYPVNGQKITFDO-RTBURBONSA-N	1	1	409.552	1.372	20	0		HDADMO
CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429352414	1075171312	/nfs/dbraw/zinc/17/13/12/1075171312.db2.gz	WKKYKNYKJJAJBW-YTQUADARSA-N	1	1	411.568	1.358	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1	ZINC000675497054	1075177325	/nfs/dbraw/zinc/17/73/25/1075177325.db2.gz	UPCSWFWEWFEPMM-OALUTQOASA-N	1	1	405.587	1.635	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1	ZINC000675497054	1075177329	/nfs/dbraw/zinc/17/73/29/1075177329.db2.gz	UPCSWFWEWFEPMM-OALUTQOASA-N	1	1	405.587	1.635	20	0		HDADMO
C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1nc(-c2ccc(Br)cc2)no1	ZINC000675512078	1075190606	/nfs/dbraw/zinc/19/06/06/1075190606.db2.gz	ITKNZUYBBGSADY-LBPRGKRZSA-N	1	1	408.300	1.924	20	0		HDADMO
CN1CCc2ccc(NC(=O)C(=O)N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)cc2C1=O	ZINC000675514211	1075191788	/nfs/dbraw/zinc/19/17/88/1075191788.db2.gz	YQMXHRRZOWCFOW-HXUWFJFHSA-N	1	1	420.513	1.986	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1	ZINC000675532354	1075192558	/nfs/dbraw/zinc/19/25/58/1075192558.db2.gz	NFCROZSLOOJMLP-KRWDZBQOSA-N	1	1	421.973	1.972	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)CC1	ZINC000675540740	1075197271	/nfs/dbraw/zinc/19/72/71/1075197271.db2.gz	GSPIADOEFJNUSK-IBGZPJMESA-N	1	1	412.538	1.509	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675556514	1075201848	/nfs/dbraw/zinc/20/18/48/1075201848.db2.gz	NWSKBOCYRNQOCL-HXUWFJFHSA-N	1	1	413.566	1.899	20	0		HDADMO
CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000470191469	1075204393	/nfs/dbraw/zinc/20/43/93/1075204393.db2.gz	WRNYEEAUFCJMEL-HNNXBMFYSA-N	1	1	415.328	1.888	20	0		HDADMO
CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000470191469	1075204399	/nfs/dbraw/zinc/20/43/99/1075204399.db2.gz	WRNYEEAUFCJMEL-HNNXBMFYSA-N	1	1	415.328	1.888	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1	ZINC000509353185	1075214589	/nfs/dbraw/zinc/21/45/89/1075214589.db2.gz	AXYZKMDJPBMSKU-CQSZACIVSA-N	1	1	403.570	1.478	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@@H+]1CCc2ccccc2C1	ZINC000675587183	1075216390	/nfs/dbraw/zinc/21/63/90/1075216390.db2.gz	XOXDACXJEMIOGL-OXQOHEQNSA-N	1	1	411.506	1.564	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@H+]1CCc2ccccc2C1	ZINC000675587183	1075216396	/nfs/dbraw/zinc/21/63/96/1075216396.db2.gz	XOXDACXJEMIOGL-OXQOHEQNSA-N	1	1	411.506	1.564	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000675586615	1075217189	/nfs/dbraw/zinc/21/71/89/1075217189.db2.gz	WHECYVGNCJWEJR-FQEVSTJZSA-N	1	1	411.506	1.565	20	0		HDADMO
CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675605463	1075221190	/nfs/dbraw/zinc/22/11/90/1075221190.db2.gz	MJBVEDAFZSSLSC-UYAOXDASSA-N	1	1	414.550	1.624	20	0		HDADMO
CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675605463	1075221196	/nfs/dbraw/zinc/22/11/96/1075221196.db2.gz	MJBVEDAFZSSLSC-UYAOXDASSA-N	1	1	414.550	1.624	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)no1	ZINC000603599042	1075221386	/nfs/dbraw/zinc/22/13/86/1075221386.db2.gz	NZVOTZSSXPQQGE-HOTGVXAUSA-N	1	1	410.540	1.757	20	0		HDADMO
CCOc1ccc(C(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1	ZINC000675604819	1075221882	/nfs/dbraw/zinc/22/18/82/1075221882.db2.gz	GDKIWSFZWCGUCE-IBGZPJMESA-N	1	1	402.539	1.442	20	0		HDADMO
CCOc1ccc(C(=O)NCC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000675604819	1075221890	/nfs/dbraw/zinc/22/18/90/1075221890.db2.gz	GDKIWSFZWCGUCE-IBGZPJMESA-N	1	1	402.539	1.442	20	0		HDADMO
CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1	ZINC000466690897	1075228008	/nfs/dbraw/zinc/22/80/08/1075228008.db2.gz	SCYRQCCODKUOBA-QAPCUYQASA-N	1	1	424.501	1.773	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000429363535	1075228282	/nfs/dbraw/zinc/22/82/82/1075228282.db2.gz	PYLAIFQSOJNKMW-MAUKXSAKSA-N	1	1	423.583	1.296	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000550816078	1075228997	/nfs/dbraw/zinc/22/89/97/1075228997.db2.gz	UEDXHOXSKFEWEO-OAHLLOKOSA-N	1	1	420.311	2.174	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNc3nc(C)c(S(N)(=O)=O)s3)cc2)CC1	ZINC000521072546	1075233016	/nfs/dbraw/zinc/23/30/16/1075233016.db2.gz	GLPFXBFVTSWBCM-UHFFFAOYSA-N	1	1	409.581	1.849	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466691990	1075235677	/nfs/dbraw/zinc/23/56/77/1075235677.db2.gz	XYEKUOXQOWPAED-CRAIPNDOSA-N	1	1	415.515	1.808	20	0		HDADMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1	ZINC000675598770	1075236858	/nfs/dbraw/zinc/23/68/58/1075236858.db2.gz	SDSNOEOYSSNWPW-SFHVURJKSA-N	1	1	400.523	1.842	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[N@H+]1Cc1ccccc1	ZINC000675598592	1075236885	/nfs/dbraw/zinc/23/68/85/1075236885.db2.gz	ZXJMDBUGSJIKDB-KPFFTGBYSA-N	1	1	411.506	1.780	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C[C@H]1C	ZINC000443375012	1075237337	/nfs/dbraw/zinc/23/73/37/1075237337.db2.gz	QUUVMNASJZUIJB-PBHICJAKSA-N	1	1	418.929	2.250	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1C	ZINC000559867196	1075238581	/nfs/dbraw/zinc/23/85/81/1075238581.db2.gz	LEWVZEPOZYUWQJ-KBPBESRZSA-N	1	1	415.460	1.960	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1C	ZINC000559867196	1075238584	/nfs/dbraw/zinc/23/85/84/1075238584.db2.gz	LEWVZEPOZYUWQJ-KBPBESRZSA-N	1	1	415.460	1.960	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466692776	1075238814	/nfs/dbraw/zinc/23/88/14/1075238814.db2.gz	TVPIDJPRAYAXRC-CRAIPNDOSA-N	1	1	410.474	1.268	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1	ZINC000509357688	1075241032	/nfs/dbraw/zinc/24/10/32/1075241032.db2.gz	UEURVASIQGDDKP-HNNXBMFYSA-N	1	1	405.586	1.726	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1	ZINC000675622356	1075241578	/nfs/dbraw/zinc/24/15/78/1075241578.db2.gz	PSADPZRSHBNLEA-UHFFFAOYSA-N	1	1	405.886	1.555	20	0		HDADMO
O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000429366865	1075242551	/nfs/dbraw/zinc/24/25/51/1075242551.db2.gz	UIQISAJGJAQPNT-INIZCTEOSA-N	1	1	422.489	2.163	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2cccc3ncnn32)CC1	ZINC001129033395	1075244186	/nfs/dbraw/zinc/24/41/86/1075244186.db2.gz	GNKGTCZSBWZQOE-UHFFFAOYSA-N	1	1	416.283	1.891	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1	ZINC000466691328	1075244225	/nfs/dbraw/zinc/24/42/25/1075244225.db2.gz	OACSWSZIQCCFQY-RHSMWYFYSA-N	1	1	420.469	1.630	20	0		HDADMO
CCN1C(=O)N=NC1C1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1	ZINC000675609862	1075244726	/nfs/dbraw/zinc/24/47/26/1075244726.db2.gz	VKGASJRDXFMTPK-LJQANCHMSA-N	1	1	412.538	1.698	20	0		HDADMO
Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000675700902	1075256004	/nfs/dbraw/zinc/25/60/04/1075256004.db2.gz	SIZSTQDIERUVCJ-GOSISDBHSA-N	1	1	416.570	1.645	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1	ZINC000675703101	1075257187	/nfs/dbraw/zinc/25/71/87/1075257187.db2.gz	FYOZMPPNPCQNJR-QGZVFWFLSA-N	1	1	422.476	1.636	20	0		HDADMO
CCNc1nc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cs1	ZINC000425912241	1075259021	/nfs/dbraw/zinc/25/90/21/1075259021.db2.gz	AGEHWFLVQNYCLI-MRXNPFEDSA-N	1	1	401.536	2.202	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000675720427	1075259537	/nfs/dbraw/zinc/25/95/37/1075259537.db2.gz	RNKZNZLSZLRPMW-UHFFFAOYSA-N	1	1	421.498	1.353	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000804221145	1075262899	/nfs/dbraw/zinc/26/28/99/1075262899.db2.gz	RPCQHYQHGRQZFD-YESZJQIVSA-N	1	1	412.575	1.985	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1	ZINC000543644048	1075265700	/nfs/dbraw/zinc/26/57/00/1075265700.db2.gz	AIUOCOMDPLLDTG-RTBURBONSA-N	1	1	406.502	1.898	20	0		HDADMO
C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1CCOCC1	ZINC000675770130	1075268818	/nfs/dbraw/zinc/26/88/18/1075268818.db2.gz	RRMMSEYTAUGKOF-HKUYNNGSSA-N	1	1	408.564	1.997	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2cc(OC)c(OC)c(OC)c2)[C@H]1C(C)C	ZINC000429379623	1075271030	/nfs/dbraw/zinc/27/10/30/1075271030.db2.gz	KHIMDYRSDYUTPP-KXBFYZLASA-N	1	1	408.495	1.848	20	0		HDADMO
Cn1nc2c(c1C(=O)NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCCC2	ZINC000675786910	1075271795	/nfs/dbraw/zinc/27/17/95/1075271795.db2.gz	KLRQMGVVYLLBGC-SFHVURJKSA-N	1	1	409.534	1.926	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)[C@H]1C(C)C	ZINC000429376236	1075272151	/nfs/dbraw/zinc/27/21/51/1075272151.db2.gz	FHDPVJYTTVQUKA-FPOVZHCZSA-N	1	1	403.523	1.977	20	0		HDADMO
COc1cccc([C@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CCO2)c1	ZINC000675821628	1075277565	/nfs/dbraw/zinc/27/75/65/1075277565.db2.gz	KFLJGWAXUNGDSP-GHTZIAJQSA-N	1	1	402.539	1.947	20	0		HDADMO
COc1cccc([C@H]2CN(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CCO2)c1	ZINC000675821628	1075277568	/nfs/dbraw/zinc/27/75/68/1075277568.db2.gz	KFLJGWAXUNGDSP-GHTZIAJQSA-N	1	1	402.539	1.947	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C)n2)c1C	ZINC000434653778	1075280401	/nfs/dbraw/zinc/28/04/01/1075280401.db2.gz	MNPFWKUIRYEIJC-SWLSCSKDSA-N	1	1	400.483	1.980	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466705824	1075284776	/nfs/dbraw/zinc/28/47/76/1075284776.db2.gz	PAVHOCBFIXNIMD-VQIMIIECSA-N	1	1	421.501	1.934	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000675917141	1075291550	/nfs/dbraw/zinc/29/15/50/1075291550.db2.gz	XASAFKWYUVUYPN-IBGZPJMESA-N	1	1	404.486	1.041	20	0		HDADMO
COCc1noc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)n1	ZINC001035208343	1075293558	/nfs/dbraw/zinc/29/35/58/1075293558.db2.gz	XBROVEGYNXFLEL-LCEIHVTHSA-N	1	1	402.495	1.454	20	0		HDADMO
COCc1noc(C[N@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)n1	ZINC001035208343	1075293562	/nfs/dbraw/zinc/29/35/62/1075293562.db2.gz	XBROVEGYNXFLEL-LCEIHVTHSA-N	1	1	402.495	1.454	20	0		HDADMO
COc1cc(C)ccc1NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000435017880	1075295006	/nfs/dbraw/zinc/29/50/06/1075295006.db2.gz	YAABXIOMGQDDAI-UHFFFAOYSA-N	1	1	424.461	2.241	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)[nH+]c1	ZINC000507098814	1075301835	/nfs/dbraw/zinc/30/18/35/1075301835.db2.gz	ZHTPMZNLDVRPOI-UHFFFAOYSA-N	1	1	409.556	1.792	20	0		HDADMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@H]1C	ZINC000479119137	1075302219	/nfs/dbraw/zinc/30/22/19/1075302219.db2.gz	NUZFCARPNXXYBF-OLZOCXBDSA-N	1	1	402.322	1.566	20	0		HDADMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@H]1C	ZINC000479119137	1075302221	/nfs/dbraw/zinc/30/22/21/1075302221.db2.gz	NUZFCARPNXXYBF-OLZOCXBDSA-N	1	1	402.322	1.566	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)C2)nc(C)[nH+]1	ZINC000731292778	1075303371	/nfs/dbraw/zinc/30/33/71/1075303371.db2.gz	GJQPDARFCDJJPC-IEBWSBKVSA-N	1	1	422.489	1.726	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)C2)nc(C)[nH+]1	ZINC000731294478	1075305170	/nfs/dbraw/zinc/30/51/70/1075305170.db2.gz	LXDDDJPQQCFBQM-YESZJQIVSA-N	1	1	400.479	1.781	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(N(C)S(C)(=O)=O)cc3)CC2)c1	ZINC000675985134	1075314403	/nfs/dbraw/zinc/31/44/03/1075314403.db2.gz	XBKDBLUKRJSLPC-UHFFFAOYSA-N	1	1	417.535	1.818	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(N4CCOC4=O)cc3)CC2)CC1	ZINC000731352556	1075316569	/nfs/dbraw/zinc/31/65/69/1075316569.db2.gz	OSXFIUSWBGRNOC-UHFFFAOYSA-N	1	1	414.506	1.660	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](CC)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C	ZINC000804221038	1075316796	/nfs/dbraw/zinc/31/67/96/1075316796.db2.gz	GSCBJJDVZUKNHS-RDJZCZTQSA-N	1	1	410.559	1.739	20	0		HDADMO
O=C1COc2ccc(S(=O)(=O)N3CC[NH+](CC4(O)CCCCC4)CC3)cc2N1	ZINC000731360613	1075320995	/nfs/dbraw/zinc/32/09/95/1075320995.db2.gz	IHYQIZXNVYOASC-UHFFFAOYSA-N	1	1	409.508	1.019	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429388426	1075325066	/nfs/dbraw/zinc/32/50/66/1075325066.db2.gz	RLKIWAFBLRJSCL-MSOLQXFVSA-N	1	1	402.539	1.759	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)CC2)CC1	ZINC000676021347	1075326666	/nfs/dbraw/zinc/32/66/66/1075326666.db2.gz	QPFZNHLJHKMMAW-LJQANCHMSA-N	1	1	419.570	1.116	20	0		HDADMO
CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCN1CCN(C(=O)C2CCC2)CC1	ZINC000543654021	1075335170	/nfs/dbraw/zinc/33/51/70/1075335170.db2.gz	XXIGLLCNVRSPEW-UHFFFAOYSA-N	1	1	413.971	1.777	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)[C@H](C(=O)OC)C1	ZINC000509380868	1075356586	/nfs/dbraw/zinc/35/65/86/1075356586.db2.gz	QWDRFAMUDZHUJU-WBVHZDCISA-N	1	1	423.535	1.617	20	0		HDADMO
Cc1c(C(=O)NCCc2nnc3ccccn32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731471111	1075358927	/nfs/dbraw/zinc/35/89/27/1075358927.db2.gz	OOQVBUYOKMMFCZ-UHFFFAOYSA-N	1	1	416.489	1.579	20	0		HDADMO
CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1	ZINC000676097997	1075361627	/nfs/dbraw/zinc/36/16/27/1075361627.db2.gz	WDLXDQYFGXTLSI-GOSISDBHSA-N	1	1	400.483	1.165	20	0		HDADMO
CC(C)C1CCC(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)CC1	ZINC000676099590	1075365550	/nfs/dbraw/zinc/36/55/50/1075365550.db2.gz	TUFYQWJUVNBYBM-UHFFFAOYSA-N	1	1	418.586	1.742	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000804084370	1075367217	/nfs/dbraw/zinc/36/72/17/1075367217.db2.gz	UHKCXZRMLWZDHQ-OAHLLOKOSA-N	1	1	401.429	1.716	20	0		HDADMO
CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731530691	1075376933	/nfs/dbraw/zinc/37/69/33/1075376933.db2.gz	IFKYRACDRHFWTJ-NVXWUHKLSA-N	1	1	418.494	1.711	20	0		HDADMO
COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)cc1	ZINC000562135456	1075377360	/nfs/dbraw/zinc/37/73/60/1075377360.db2.gz	BIBLWYLJKNDHAZ-OAHLLOKOSA-N	1	1	408.462	2.054	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C	ZINC000804089660	1075381744	/nfs/dbraw/zinc/38/17/44/1075381744.db2.gz	CTXNMRMTGGYGGU-QBPKDAKJSA-N	1	1	410.559	1.880	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804090788	1075386292	/nfs/dbraw/zinc/38/62/92/1075386292.db2.gz	LFSYHKFVMFTMKS-BBWFWOEESA-N	1	1	410.559	1.739	20	0		HDADMO
CS(=O)(=O)NCCNC(=S)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1	ZINC000731570431	1075390861	/nfs/dbraw/zinc/39/08/61/1075390861.db2.gz	SIBAUIPWQJMAKU-MRXNPFEDSA-N	1	1	419.016	1.708	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1	ZINC000804094455	1075394273	/nfs/dbraw/zinc/39/42/73/1075394273.db2.gz	VQBWMVKDQAJYHH-JKSUJKDBSA-N	1	1	408.543	1.635	20	0		HDADMO
C[C@@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC[N@H+](C2CCC2)C1	ZINC000429400297	1075399311	/nfs/dbraw/zinc/39/93/11/1075399311.db2.gz	YFLJMJHVSGQVIJ-CYBMUJFWSA-N	1	1	414.959	1.732	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)NCC[N@@H+](C)Cc3ccccc3)n2)cc1	ZINC000426684489	1075399615	/nfs/dbraw/zinc/39/96/15/1075399615.db2.gz	ZXOZYRLTFNBPDL-UHFFFAOYSA-N	1	1	421.501	2.127	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)n2)cc1	ZINC000448322356	1075402082	/nfs/dbraw/zinc/40/20/82/1075402082.db2.gz	QXZSTABNUMKOJN-SFHVURJKSA-N	1	1	413.522	2.115	20	0		HDADMO
C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)C1	ZINC000804106218	1075408320	/nfs/dbraw/zinc/40/83/20/1075408320.db2.gz	IPXJUMHRDXSWMQ-SFHVURJKSA-N	1	1	418.538	1.580	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C	ZINC000569553042	1075423254	/nfs/dbraw/zinc/42/32/54/1075423254.db2.gz	SPLAPAPTBLIURD-LSDHHAIUSA-N	1	1	400.458	1.739	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C	ZINC000569553042	1075423256	/nfs/dbraw/zinc/42/32/56/1075423256.db2.gz	SPLAPAPTBLIURD-LSDHHAIUSA-N	1	1	400.458	1.739	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccoc2COc2ccc(C=O)cc2)CC1	ZINC000731655408	1075439046	/nfs/dbraw/zinc/43/90/46/1075439046.db2.gz	KOZOOGXUVHULSB-UHFFFAOYSA-N	1	1	413.474	1.954	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1	ZINC000731656958	1075440353	/nfs/dbraw/zinc/44/03/53/1075440353.db2.gz	UUVFGBRWZPHFND-KRWDZBQOSA-N	1	1	420.510	1.995	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCOc3cccc(C=O)c3)CC2)CC1	ZINC000731640036	1075442037	/nfs/dbraw/zinc/44/20/37/1075442037.db2.gz	DJCYVLKFYKGZJO-UHFFFAOYSA-N	1	1	401.507	1.671	20	0		HDADMO
CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C	ZINC000542898771	1075443318	/nfs/dbraw/zinc/44/33/18/1075443318.db2.gz	WVDZXHIWXVOJKE-DNVCBOLYSA-N	1	1	413.522	1.984	20	0		HDADMO
C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1C[N@H+](C)CCO1	ZINC000676242505	1075444887	/nfs/dbraw/zinc/44/48/87/1075444887.db2.gz	WBJZZBAQZQYZEH-SKDRFNHKSA-N	1	1	420.823	1.920	20	0		HDADMO
C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1C[N@@H+](C)CCO1	ZINC000676242505	1075444895	/nfs/dbraw/zinc/44/48/95/1075444895.db2.gz	WBJZZBAQZQYZEH-SKDRFNHKSA-N	1	1	420.823	1.920	20	0		HDADMO
C[C@H](NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)[C@H]1CN(C)CCO1	ZINC000676243788	1075445401	/nfs/dbraw/zinc/44/54/01/1075445401.db2.gz	XUEYWNNGXSVETF-SESVDKBCSA-N	1	1	403.571	1.384	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676244272	1075446461	/nfs/dbraw/zinc/44/64/61/1075446461.db2.gz	SRHQAWQSUQUYBN-QAPCUYQASA-N	1	1	412.556	1.234	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676244272	1075446466	/nfs/dbraw/zinc/44/64/66/1075446466.db2.gz	SRHQAWQSUQUYBN-QAPCUYQASA-N	1	1	412.556	1.234	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676244183	1075446496	/nfs/dbraw/zinc/44/64/96/1075446496.db2.gz	RBBGLXQKHKXJJR-ZYSHUDEJSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676244183	1075446498	/nfs/dbraw/zinc/44/64/98/1075446498.db2.gz	RBBGLXQKHKXJJR-ZYSHUDEJSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1C[N@H+](C)CCO1	ZINC000676255792	1075450384	/nfs/dbraw/zinc/45/03/84/1075450384.db2.gz	LHUIDLLXXZPNRK-CZUORRHYSA-N	1	1	405.524	1.974	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676255792	1075450390	/nfs/dbraw/zinc/45/03/90/1075450390.db2.gz	LHUIDLLXXZPNRK-CZUORRHYSA-N	1	1	405.524	1.974	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257175	1075451000	/nfs/dbraw/zinc/45/10/00/1075451000.db2.gz	PLIMWXFDFFMSGC-KXBFYZLASA-N	1	1	405.520	1.344	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257175	1075451006	/nfs/dbraw/zinc/45/10/06/1075451006.db2.gz	PLIMWXFDFFMSGC-KXBFYZLASA-N	1	1	405.520	1.344	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257174	1075451125	/nfs/dbraw/zinc/45/11/25/1075451125.db2.gz	PLIMWXFDFFMSGC-HNAYVOBHSA-N	1	1	405.520	1.344	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257174	1075451131	/nfs/dbraw/zinc/45/11/31/1075451131.db2.gz	PLIMWXFDFFMSGC-HNAYVOBHSA-N	1	1	405.520	1.344	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1C	ZINC000676258298	1075453680	/nfs/dbraw/zinc/45/36/80/1075453680.db2.gz	HHSULIDAUGKMAU-XLIONFOSSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1C	ZINC000676258298	1075453686	/nfs/dbraw/zinc/45/36/86/1075453686.db2.gz	HHSULIDAUGKMAU-XLIONFOSSA-N	1	1	423.579	1.539	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676259567	1075457178	/nfs/dbraw/zinc/45/71/78/1075457178.db2.gz	XLKSDPWSDUQYKC-KBXCAEBGSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259567	1075457183	/nfs/dbraw/zinc/45/71/83/1075457183.db2.gz	XLKSDPWSDUQYKC-KBXCAEBGSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676261981	1075459330	/nfs/dbraw/zinc/45/93/30/1075459330.db2.gz	SXKGXIPJSNWRDU-LPHOPBHVSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261981	1075459333	/nfs/dbraw/zinc/45/93/33/1075459333.db2.gz	SXKGXIPJSNWRDU-LPHOPBHVSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262038	1075459871	/nfs/dbraw/zinc/45/98/71/1075459871.db2.gz	VCDGHPBXKGLOEH-KDOFPFPSSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262038	1075459883	/nfs/dbraw/zinc/45/98/83/1075459883.db2.gz	VCDGHPBXKGLOEH-KDOFPFPSSA-N	1	1	407.492	1.207	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676263759	1075462255	/nfs/dbraw/zinc/46/22/55/1075462255.db2.gz	CBXHUXAKFMCMGN-GUYCJALGSA-N	1	1	414.528	1.176	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676263759	1075462260	/nfs/dbraw/zinc/46/22/60/1075462260.db2.gz	CBXHUXAKFMCMGN-GUYCJALGSA-N	1	1	414.528	1.176	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676263758	1075462414	/nfs/dbraw/zinc/46/24/14/1075462414.db2.gz	CBXHUXAKFMCMGN-DYVFJYSZSA-N	1	1	414.528	1.176	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676263758	1075462417	/nfs/dbraw/zinc/46/24/17/1075462417.db2.gz	CBXHUXAKFMCMGN-DYVFJYSZSA-N	1	1	414.528	1.176	20	0		HDADMO
CC[C@@H](NC(=O)Nc1ccn(CC(=O)OC)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000473829218	1075463360	/nfs/dbraw/zinc/46/33/60/1075463360.db2.gz	ZUIABXJAADULLX-MSOLQXFVSA-N	1	1	415.494	1.857	20	0		HDADMO
CC[C@@H](NC(=O)Nc1ccn(CC(=O)OC)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000473829218	1075463363	/nfs/dbraw/zinc/46/33/63/1075463363.db2.gz	ZUIABXJAADULLX-MSOLQXFVSA-N	1	1	415.494	1.857	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H](C)[C@H]3CN(C)CCO3)cc2)CC1	ZINC000676265692	1075464405	/nfs/dbraw/zinc/46/44/05/1075464405.db2.gz	XYRNEASRUGDZJS-YLJYHZDGSA-N	1	1	417.554	1.234	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676249132	1075465054	/nfs/dbraw/zinc/46/50/54/1075465054.db2.gz	FALLLEQGSVHMPR-NVXWUHKLSA-N	1	1	409.600	1.987	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676249132	1075465055	/nfs/dbraw/zinc/46/50/55/1075465055.db2.gz	FALLLEQGSVHMPR-NVXWUHKLSA-N	1	1	409.600	1.987	20	0		HDADMO
CN(CC(C)(CO)CO)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000560615526	1075465779	/nfs/dbraw/zinc/46/57/79/1075465779.db2.gz	TUCMFXOVCJLZRO-UXHICEINSA-N	1	1	400.523	1.085	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676251006	1075467529	/nfs/dbraw/zinc/46/75/29/1075467529.db2.gz	NLPSTASSZLUFMT-APHBMKBZSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676251006	1075467534	/nfs/dbraw/zinc/46/75/34/1075467534.db2.gz	NLPSTASSZLUFMT-APHBMKBZSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676250483	1075467942	/nfs/dbraw/zinc/46/79/42/1075467942.db2.gz	ZFDSUJWDONZFHY-MAUKXSAKSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250483	1075467945	/nfs/dbraw/zinc/46/79/45/1075467945.db2.gz	ZFDSUJWDONZFHY-MAUKXSAKSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731683655	1075468193	/nfs/dbraw/zinc/46/81/93/1075468193.db2.gz	IJDWWFKDPAPEKQ-FXAWDEMLSA-N	1	1	422.595	1.630	20	0		HDADMO
Cc1cnc(NC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1	ZINC000048053967	1075468848	/nfs/dbraw/zinc/46/88/48/1075468848.db2.gz	UEBXOYLEKAEUHK-UHFFFAOYSA-N	1	1	403.508	2.434	20	0		HDADMO
CC[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543666717	1075469222	/nfs/dbraw/zinc/46/92/22/1075469222.db2.gz	BQNJMRXCARVGAL-QHAWAJNXSA-N	1	1	402.539	1.392	20	0		HDADMO
CC[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543666717	1075469227	/nfs/dbraw/zinc/46/92/27/1075469227.db2.gz	BQNJMRXCARVGAL-QHAWAJNXSA-N	1	1	402.539	1.392	20	0		HDADMO
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1	ZINC000434931785	1075469839	/nfs/dbraw/zinc/46/98/39/1075469839.db2.gz	DPAZBNYJYIPRTK-HZPDHXFCSA-N	1	1	414.510	2.370	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252661	1075469969	/nfs/dbraw/zinc/46/99/69/1075469969.db2.gz	ROVYKRGOZJEHSI-GWZYHKFFSA-N	1	1	418.582	1.776	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252661	1075469975	/nfs/dbraw/zinc/46/99/75/1075469975.db2.gz	ROVYKRGOZJEHSI-GWZYHKFFSA-N	1	1	418.582	1.776	20	0		HDADMO
O=C(Cc1cccc(OCC(F)(F)F)c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676276746	1075475747	/nfs/dbraw/zinc/47/57/47/1075475747.db2.gz	VBUSOAMDAHNHDL-KRWDZBQOSA-N	1	1	415.456	1.693	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676278786	1075479800	/nfs/dbraw/zinc/47/98/00/1075479800.db2.gz	JZCHYZJZPYCLHI-DNVCBOLYSA-N	1	1	401.463	1.770	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278786	1075479804	/nfs/dbraw/zinc/47/98/04/1075479804.db2.gz	JZCHYZJZPYCLHI-DNVCBOLYSA-N	1	1	401.463	1.770	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676278758	1075480944	/nfs/dbraw/zinc/48/09/44/1075480944.db2.gz	JLUIFRZVKFPBTP-DNVCBOLYSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278758	1075480946	/nfs/dbraw/zinc/48/09/46/1075480946.db2.gz	JLUIFRZVKFPBTP-DNVCBOLYSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278757	1075481041	/nfs/dbraw/zinc/48/10/41/1075481041.db2.gz	JLUIFRZVKFPBTP-BEFAXECRSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278757	1075481043	/nfs/dbraw/zinc/48/10/43/1075481043.db2.gz	JLUIFRZVKFPBTP-BEFAXECRSA-N	1	1	410.474	1.713	20	0		HDADMO
CN1CCN(S(=O)(=O)N2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)CC1	ZINC000509399014	1075481190	/nfs/dbraw/zinc/48/11/90/1075481190.db2.gz	KGXZONXQCCCCLA-UHFFFAOYSA-N	1	1	415.563	1.358	20	0		HDADMO
Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1C(=O)N1CCCC1	ZINC000676279266	1075481467	/nfs/dbraw/zinc/48/14/67/1075481467.db2.gz	BRSRFBCUTRONTH-NVXWUHKLSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1C(=O)N1CCCC1	ZINC000676279266	1075481471	/nfs/dbraw/zinc/48/14/71/1075481471.db2.gz	BRSRFBCUTRONTH-NVXWUHKLSA-N	1	1	402.495	1.005	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280013	1075482562	/nfs/dbraw/zinc/48/25/62/1075482562.db2.gz	SKYUUKFPBNGRCO-YWZLYKJASA-N	1	1	407.474	1.799	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280013	1075482564	/nfs/dbraw/zinc/48/25/64/1075482564.db2.gz	SKYUUKFPBNGRCO-YWZLYKJASA-N	1	1	407.474	1.799	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676279642	1075483267	/nfs/dbraw/zinc/48/32/67/1075483267.db2.gz	PPENLSASXPOPTE-UKRRQHHQSA-N	1	1	401.492	1.402	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279642	1075483270	/nfs/dbraw/zinc/48/32/70/1075483270.db2.gz	PPENLSASXPOPTE-UKRRQHHQSA-N	1	1	401.492	1.402	20	0		HDADMO
CC[C@H](C)C[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434910989	1075483855	/nfs/dbraw/zinc/48/38/55/1075483855.db2.gz	GDCJVZDZQXKACY-GXTWGEPZSA-N	1	1	402.499	2.226	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279484	1075484600	/nfs/dbraw/zinc/48/46/00/1075484600.db2.gz	OJWJXXXOBYUIMG-BXWFABGCSA-N	1	1	405.495	1.408	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279484	1075484603	/nfs/dbraw/zinc/48/46/03/1075484603.db2.gz	OJWJXXXOBYUIMG-BXWFABGCSA-N	1	1	405.495	1.408	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc3c([nH]c2=O)CCCC3)C1	ZINC000731739077	1075489061	/nfs/dbraw/zinc/48/90/61/1075489061.db2.gz	JDNZEUYPEWGAIX-INIZCTEOSA-N	1	1	405.495	1.296	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C	ZINC000539478198	1075490693	/nfs/dbraw/zinc/49/06/93/1075490693.db2.gz	DCFUVADQDXCUOF-AOMKIAJQSA-N	1	1	413.522	1.854	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1C[N@H+](C)CCO1	ZINC000676287062	1075491079	/nfs/dbraw/zinc/49/10/79/1075491079.db2.gz	NOJSWSZFNLGNMM-SOUVJXGZSA-N	1	1	401.554	1.127	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1C[N@@H+](C)CCO1	ZINC000676287062	1075491083	/nfs/dbraw/zinc/49/10/83/1075491083.db2.gz	NOJSWSZFNLGNMM-SOUVJXGZSA-N	1	1	401.554	1.127	20	0		HDADMO
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C2=O	ZINC000676286925	1075491202	/nfs/dbraw/zinc/49/12/02/1075491202.db2.gz	KKHGFCNXEKFMCP-GKVAYGERSA-N	1	1	422.570	1.739	20	0		HDADMO
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C2=O	ZINC000676286925	1075491205	/nfs/dbraw/zinc/49/12/05/1075491205.db2.gz	KKHGFCNXEKFMCP-GKVAYGERSA-N	1	1	422.570	1.739	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676288837	1075492812	/nfs/dbraw/zinc/49/28/12/1075492812.db2.gz	SORZHXGWEKESPQ-QFBILLFUSA-N	1	1	424.567	1.166	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676288837	1075492815	/nfs/dbraw/zinc/49/28/15/1075492815.db2.gz	SORZHXGWEKESPQ-QFBILLFUSA-N	1	1	424.567	1.166	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1	ZINC000676307443	1075493065	/nfs/dbraw/zinc/49/30/65/1075493065.db2.gz	PLJXRZFGZPFRJY-FPOVZHCZSA-N	1	1	403.571	1.165	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1	ZINC000676291837	1075495979	/nfs/dbraw/zinc/49/59/79/1075495979.db2.gz	LFCCKLKPTMHMEX-KRWDZBQOSA-N	1	1	407.584	1.376	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000676292494	1075497036	/nfs/dbraw/zinc/49/70/36/1075497036.db2.gz	HOVVJRTXFRLLRI-FQEVSTJZSA-N	1	1	401.555	1.314	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676294063	1075497341	/nfs/dbraw/zinc/49/73/41/1075497341.db2.gz	VVYNLPACPLHLKW-IPELMVKDSA-N	1	1	404.511	1.114	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676294063	1075497344	/nfs/dbraw/zinc/49/73/44/1075497344.db2.gz	VVYNLPACPLHLKW-IPELMVKDSA-N	1	1	404.511	1.114	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1	ZINC000676297261	1075500093	/nfs/dbraw/zinc/50/00/93/1075500093.db2.gz	YXKMVGMODCQHQP-VQIMIIECSA-N	1	1	407.584	1.546	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCO1	ZINC000676303989	1075501990	/nfs/dbraw/zinc/50/19/90/1075501990.db2.gz	IOCRODKGRVFPSN-ZOWXZIJZSA-N	1	1	406.310	1.751	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[N@@H+](C)CCO1	ZINC000676303989	1075501992	/nfs/dbraw/zinc/50/19/92/1075501992.db2.gz	IOCRODKGRVFPSN-ZOWXZIJZSA-N	1	1	406.310	1.751	20	0		HDADMO
O=C(Cc1ccccc1Cl)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676307980	1075505163	/nfs/dbraw/zinc/50/51/63/1075505163.db2.gz	ITTQDCUGOBZJNG-UHFFFAOYSA-N	1	1	401.898	1.858	20	0		HDADMO
C[C@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676307578	1075505569	/nfs/dbraw/zinc/50/55/69/1075505569.db2.gz	PTZBLXRSBUKZOL-SQWLQELKSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676307578	1075505573	/nfs/dbraw/zinc/50/55/73/1075505573.db2.gz	PTZBLXRSBUKZOL-SQWLQELKSA-N	1	1	409.918	1.814	20	0		HDADMO
COc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1S(=O)(=O)N1CCOCC1	ZINC000509406304	1075506283	/nfs/dbraw/zinc/50/62/83/1075506283.db2.gz	USMPJMPHVZJWQI-UHFFFAOYSA-N	1	1	413.540	1.176	20	0		HDADMO
C[C@@H](C(=O)N1CCCCC1)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035758707	1075507122	/nfs/dbraw/zinc/50/71/22/1075507122.db2.gz	XSWBUXSIWAEXOU-ROMHJBHXSA-N	1	1	401.551	1.735	20	0		HDADMO
C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000731750697	1075508260	/nfs/dbraw/zinc/50/82/60/1075508260.db2.gz	GCLMAYBODKTRLO-KRWDZBQOSA-N	1	1	418.542	1.457	20	0		HDADMO
C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000731750697	1075508269	/nfs/dbraw/zinc/50/82/69/1075508269.db2.gz	GCLMAYBODKTRLO-KRWDZBQOSA-N	1	1	418.542	1.457	20	0		HDADMO
Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c1	ZINC000676311454	1075509378	/nfs/dbraw/zinc/50/93/78/1075509378.db2.gz	SHYRMVBCHOKROB-SFHVURJKSA-N	1	1	411.506	1.738	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(c1nc(N3CCOCC3)cc[nH+]1)CC2	ZINC000676314197	1075509404	/nfs/dbraw/zinc/50/94/04/1075509404.db2.gz	LCUTULSFVPDFDM-UHFFFAOYSA-N	1	1	400.479	1.944	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000676336507	1075511255	/nfs/dbraw/zinc/51/12/55/1075511255.db2.gz	RSKVUSBQYNBRDM-WFASDCNBSA-N	1	1	419.469	1.973	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O	ZINC000731756294	1075512187	/nfs/dbraw/zinc/51/21/87/1075512187.db2.gz	IMCAIZHUHHQRGI-QGZVFWFLSA-N	1	1	410.453	1.858	20	0		HDADMO
COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+](C)C	ZINC000448533917	1075515504	/nfs/dbraw/zinc/51/55/04/1075515504.db2.gz	AOEBQCBJVXJNDC-CYBMUJFWSA-N	1	1	413.400	1.812	20	0		HDADMO
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	ZINC000731761769	1075516764	/nfs/dbraw/zinc/51/67/64/1075516764.db2.gz	CPEICNSONKFLIL-GOSISDBHSA-N	1	1	423.602	1.657	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1	ZINC000731764137	1075517940	/nfs/dbraw/zinc/51/79/40/1075517940.db2.gz	LWEUPGJOGQQTAI-UHFFFAOYSA-N	1	1	424.567	1.445	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676332557	1075522713	/nfs/dbraw/zinc/52/27/13/1075522713.db2.gz	OKQLIMQSNUNRGN-FOIQADDNSA-N	1	1	419.522	1.391	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676332557	1075522716	/nfs/dbraw/zinc/52/27/16/1075522716.db2.gz	OKQLIMQSNUNRGN-FOIQADDNSA-N	1	1	419.522	1.391	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1	ZINC000731827271	1075525286	/nfs/dbraw/zinc/52/52/86/1075525286.db2.gz	VXWWAFQQMGGRFL-NISQSXRWSA-N	1	1	408.462	1.456	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1	ZINC000731826828	1075525609	/nfs/dbraw/zinc/52/56/09/1075525609.db2.gz	MBFCZAITJGXHJY-QJKHOBJASA-N	1	1	421.563	1.224	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000731809230	1075527470	/nfs/dbraw/zinc/52/74/70/1075527470.db2.gz	RFOFCYSLAGYNDP-KGLIPLIRSA-N	1	1	406.533	1.655	20	0		HDADMO
CN(CCNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000804137463	1075529184	/nfs/dbraw/zinc/52/91/84/1075529184.db2.gz	CFVXZWGZRQUPBB-LJQANCHMSA-N	1	1	414.472	1.625	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000676360211	1075532539	/nfs/dbraw/zinc/53/25/39/1075532539.db2.gz	QNHYRLJJWRCMPY-GDBMZVCRSA-N	1	1	415.494	1.528	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1	ZINC000676359672	1075532802	/nfs/dbraw/zinc/53/28/02/1075532802.db2.gz	IOTKADRLABWRTI-UHFFFAOYSA-N	1	1	418.473	1.231	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1	ZINC000731850928	1075533769	/nfs/dbraw/zinc/53/37/69/1075533769.db2.gz	ZCMLAIWZFRJANT-GOSISDBHSA-N	1	1	413.540	1.838	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000676386597	1075534480	/nfs/dbraw/zinc/53/44/80/1075534480.db2.gz	LEGCTFYXWQNOSE-HOTGVXAUSA-N	1	1	400.479	1.177	20	0		HDADMO
Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCNS(C)(=O)=O	ZINC000676395638	1075542537	/nfs/dbraw/zinc/54/25/37/1075542537.db2.gz	WCCIKPHWRNEIIA-KRWDZBQOSA-N	1	1	405.524	1.516	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676400478	1075543822	/nfs/dbraw/zinc/54/38/22/1075543822.db2.gz	FMNKKHALTXMQJU-XJKSGUPXSA-N	1	1	417.510	1.479	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676400478	1075543827	/nfs/dbraw/zinc/54/38/27/1075543827.db2.gz	FMNKKHALTXMQJU-XJKSGUPXSA-N	1	1	417.510	1.479	20	0		HDADMO
CN(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1	ZINC000676426179	1075546778	/nfs/dbraw/zinc/54/67/78/1075546778.db2.gz	BKBXRJSZKSFNFW-MRXNPFEDSA-N	1	1	423.945	1.570	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1	ZINC000731881819	1075552746	/nfs/dbraw/zinc/55/27/46/1075552746.db2.gz	GJFOCUCSVMJPES-UHFFFAOYSA-N	1	1	408.568	1.973	20	0		HDADMO
COC[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676457865	1075554172	/nfs/dbraw/zinc/55/41/72/1075554172.db2.gz	XZXJVKGVDZZCLG-RBUKOAKNSA-N	1	1	411.506	1.906	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1	ZINC000731885310	1075554869	/nfs/dbraw/zinc/55/48/69/1075554869.db2.gz	MTOYUHDYGJBYTF-HXUWFJFHSA-N	1	1	415.538	1.280	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1	ZINC000731885119	1075555193	/nfs/dbraw/zinc/55/51/93/1075555193.db2.gz	KBQKKQJAKIXEDE-UHFFFAOYSA-N	1	1	416.975	1.300	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NC3(CCO)CCOCC3)cc2)CC1	ZINC000676444787	1075555524	/nfs/dbraw/zinc/55/55/24/1075555524.db2.gz	OIIAIVPJUHHHMF-UHFFFAOYSA-N	1	1	418.538	1.446	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000676451986	1075557577	/nfs/dbraw/zinc/55/75/77/1075557577.db2.gz	LMVAOPPRUBCOHN-VQTJNVASSA-N	1	1	424.549	1.787	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676451986	1075557581	/nfs/dbraw/zinc/55/75/81/1075557581.db2.gz	LMVAOPPRUBCOHN-VQTJNVASSA-N	1	1	424.549	1.787	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	ZINC000731865093	1075558655	/nfs/dbraw/zinc/55/86/55/1075558655.db2.gz	FISPQHQLFALWKR-UHFFFAOYSA-N	1	1	405.568	1.912	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1	ZINC000676452519	1075558657	/nfs/dbraw/zinc/55/86/57/1075558657.db2.gz	CKDIZXVNIMWXEF-FPOVZHCZSA-N	1	1	420.513	1.962	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1	ZINC000731868086	1075559294	/nfs/dbraw/zinc/55/92/94/1075559294.db2.gz	LASLKXOJGFOMNU-UHFFFAOYSA-N	1	1	400.545	1.636	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000676497472	1075569480	/nfs/dbraw/zinc/56/94/80/1075569480.db2.gz	BCRFQXGDISLHPT-UYAOXDASSA-N	1	1	420.579	1.894	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1	ZINC000676501186	1075569753	/nfs/dbraw/zinc/56/97/53/1075569753.db2.gz	PIQANGCQKRITBW-UKRRQHHQSA-N	1	1	405.465	1.007	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1	ZINC000676501186	1075569755	/nfs/dbraw/zinc/56/97/55/1075569755.db2.gz	PIQANGCQKRITBW-UKRRQHHQSA-N	1	1	405.465	1.007	20	0		HDADMO
O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000676506733	1075572155	/nfs/dbraw/zinc/57/21/55/1075572155.db2.gz	ACBMBORIPROFGT-DOTOQJQBSA-N	1	1	423.535	1.389	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=S)NCCS(C)(=O)=O)CC2)cs1	ZINC000731944797	1075572528	/nfs/dbraw/zinc/57/25/28/1075572528.db2.gz	ZISRDRGOXOTODL-UHFFFAOYSA-N	1	1	404.627	1.426	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)CCO2	ZINC000676522219	1075576551	/nfs/dbraw/zinc/57/65/51/1075576551.db2.gz	IAWHLYVDITXIQM-IBGZPJMESA-N	1	1	417.506	1.348	20	0		HDADMO
Cc1onc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c1C	ZINC000550707269	1075580812	/nfs/dbraw/zinc/58/08/12/1075580812.db2.gz	HPBWGQGUSSSVAL-UHFFFAOYSA-N	1	1	419.913	2.212	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)C1=CC[N@@H+](C)CC1	ZINC000442335692	1075586747	/nfs/dbraw/zinc/58/67/47/1075586747.db2.gz	PIABHWKBFWNQNL-CYBMUJFWSA-N	1	1	402.886	1.685	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@@H+]1CCc2ccccc2C1	ZINC000676545419	1075590232	/nfs/dbraw/zinc/59/02/32/1075590232.db2.gz	HJKVOVSHOQQBSK-QGZVFWFLSA-N	1	1	418.501	1.828	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@H+]1CCc2ccccc2C1	ZINC000676545419	1075590239	/nfs/dbraw/zinc/59/02/39/1075590239.db2.gz	HJKVOVSHOQQBSK-QGZVFWFLSA-N	1	1	418.501	1.828	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1	ZINC000732074041	1075606385	/nfs/dbraw/zinc/60/63/85/1075606385.db2.gz	QDPMEOQTSNFWIO-ONEGZZNKSA-N	1	1	423.517	1.601	20	0		HDADMO
CN1C(=S)N=NC1[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1	ZINC000732075714	1075606711	/nfs/dbraw/zinc/60/67/11/1075606711.db2.gz	GGZPHMYBHRWPTI-ZWKOTPCHSA-N	1	1	414.579	1.799	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1	ZINC000732095340	1075610061	/nfs/dbraw/zinc/61/00/61/1075610061.db2.gz	FMFLOWHKTKIRIK-INIZCTEOSA-N	1	1	421.519	1.178	20	0		HDADMO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1C	ZINC000676594248	1075612806	/nfs/dbraw/zinc/61/28/06/1075612806.db2.gz	XQWWNKGWZHJTSR-HOCLYGCPSA-N	1	1	406.493	1.708	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1	ZINC000676619309	1075618317	/nfs/dbraw/zinc/61/83/17/1075618317.db2.gz	QHZLFYNHHDRAJD-UHFFFAOYSA-N	1	1	409.437	1.675	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CCOCC1	ZINC000676622548	1075621376	/nfs/dbraw/zinc/62/13/76/1075621376.db2.gz	DBONSDAPGKRINO-MRXNPFEDSA-N	1	1	405.495	1.330	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+](C)C[C@H](O)C1CC1	ZINC000676633190	1075625657	/nfs/dbraw/zinc/62/56/57/1075625657.db2.gz	UHRKZSGGDKOWED-INIZCTEOSA-N	1	1	412.328	1.857	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+](C)C[C@H](O)C1CC1	ZINC000676633190	1075625659	/nfs/dbraw/zinc/62/56/59/1075625659.db2.gz	UHRKZSGGDKOWED-INIZCTEOSA-N	1	1	412.328	1.857	20	0		HDADMO
C[N@@H+](CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C[C@H](O)C1CC1	ZINC000676632985	1075625728	/nfs/dbraw/zinc/62/57/28/1075625728.db2.gz	RAZCMPDPFFIVOB-FQEVSTJZSA-N	1	1	421.563	1.453	20	0		HDADMO
C[N@H+](CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C[C@H](O)C1CC1	ZINC000676632985	1075625733	/nfs/dbraw/zinc/62/57/33/1075625733.db2.gz	RAZCMPDPFFIVOB-FQEVSTJZSA-N	1	1	421.563	1.453	20	0		HDADMO
C[C@H](Sc1ccccc1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1)C(N)=O	ZINC000509428859	1075627556	/nfs/dbraw/zinc/62/75/56/1075627556.db2.gz	FWRLAJYLGHSBDK-AWEZNQCLSA-N	1	1	414.535	1.471	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1	ZINC000732121922	1075629341	/nfs/dbraw/zinc/62/93/41/1075629341.db2.gz	RHGLNPHIXZHZDU-UHFFFAOYSA-N	1	1	424.505	1.634	20	0		HDADMO
Cc1c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000676642443	1075630990	/nfs/dbraw/zinc/63/09/90/1075630990.db2.gz	XICVDCWOSFDFMM-KRWDZBQOSA-N	1	1	421.501	1.287	20	0		HDADMO
Cc1c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000676642644	1075631566	/nfs/dbraw/zinc/63/15/66/1075631566.db2.gz	XICVDCWOSFDFMM-QGZVFWFLSA-N	1	1	421.501	1.287	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(CN(C)CC(C)(C)C[NH+]2CCOCC2)n1	ZINC000443643223	1075640096	/nfs/dbraw/zinc/64/00/96/1075640096.db2.gz	AKGSJXKSRAXSHA-UHFFFAOYSA-N	1	1	415.542	1.418	20	0		HDADMO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1	ZINC000676659497	1075640761	/nfs/dbraw/zinc/64/07/61/1075640761.db2.gz	RFPSJUZNZDCVMD-INIZCTEOSA-N	1	1	419.489	1.943	20	0		HDADMO
O=C([C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1)N1CCCC1	ZINC000732189521	1075654919	/nfs/dbraw/zinc/65/49/19/1075654919.db2.gz	FAPNPDMEUYAREZ-CQSZACIVSA-N	1	1	404.492	1.331	20	0		HDADMO
O=C([C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1)N1CCCC1	ZINC000732189521	1075654922	/nfs/dbraw/zinc/65/49/22/1075654922.db2.gz	FAPNPDMEUYAREZ-CQSZACIVSA-N	1	1	404.492	1.331	20	0		HDADMO
COCCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1	ZINC000676719500	1075654943	/nfs/dbraw/zinc/65/49/43/1075654943.db2.gz	GPFJNVAUXNEXSC-HXUWFJFHSA-N	1	1	416.566	1.194	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCc3ccccc3[C@H]2C(N)=O)CC1	ZINC000676704041	1075655864	/nfs/dbraw/zinc/65/58/64/1075655864.db2.gz	LBGMIONYHSZRSM-MBSDFSHPSA-N	1	1	406.530	1.977	20	0		HDADMO
C[C@@H]1COCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000676712731	1075657937	/nfs/dbraw/zinc/65/79/37/1075657937.db2.gz	KOKAGAJWLHKQJA-QGZVFWFLSA-N	1	1	421.563	1.119	20	0		HDADMO
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676723350	1075660012	/nfs/dbraw/zinc/66/00/12/1075660012.db2.gz	IRQCLTCMQVQOKF-QRVBRYPASA-N	1	1	414.550	1.434	20	0		HDADMO
CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1F	ZINC000676730221	1075663517	/nfs/dbraw/zinc/66/35/17/1075663517.db2.gz	MFOFMWFNIPTEIF-CQSZACIVSA-N	1	1	419.544	1.738	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000554849533	1075666961	/nfs/dbraw/zinc/66/69/61/1075666961.db2.gz	ZFVAIVIUZQKTQL-DLBZAZTESA-N	1	1	412.513	2.115	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000732211821	1075667566	/nfs/dbraw/zinc/66/75/66/1075667566.db2.gz	HCOMBCZNXORBTC-HXUWFJFHSA-N	1	1	412.534	1.672	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000732211821	1075667572	/nfs/dbraw/zinc/66/75/72/1075667572.db2.gz	HCOMBCZNXORBTC-HXUWFJFHSA-N	1	1	412.534	1.672	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000732211208	1075668442	/nfs/dbraw/zinc/66/84/42/1075668442.db2.gz	ORBOXKOFOXBRSP-OAHLLOKOSA-N	1	1	402.451	1.540	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000732211208	1075668445	/nfs/dbraw/zinc/66/84/45/1075668445.db2.gz	ORBOXKOFOXBRSP-OAHLLOKOSA-N	1	1	402.451	1.540	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732213348	1075669495	/nfs/dbraw/zinc/66/94/95/1075669495.db2.gz	SLWOACNCUKLZBU-SFHVURJKSA-N	1	1	402.495	1.958	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732213348	1075669498	/nfs/dbraw/zinc/66/94/98/1075669498.db2.gz	SLWOACNCUKLZBU-SFHVURJKSA-N	1	1	402.495	1.958	20	0		HDADMO
CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1	ZINC000676747581	1075669848	/nfs/dbraw/zinc/66/98/48/1075669848.db2.gz	HVEWWZCSSMCOEW-QAPCUYQASA-N	1	1	422.551	1.007	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)Cc2cncn2Cc2ccccc2)C1	ZINC000562195283	1075671025	/nfs/dbraw/zinc/67/10/25/1075671025.db2.gz	ATAVJUNWSDHXOG-SFHVURJKSA-N	1	1	421.505	1.285	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)Cc2cncn2Cc2ccccc2)C1	ZINC000562195283	1075671032	/nfs/dbraw/zinc/67/10/32/1075671032.db2.gz	ATAVJUNWSDHXOG-SFHVURJKSA-N	1	1	421.505	1.285	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1	ZINC000732223026	1075671759	/nfs/dbraw/zinc/67/17/59/1075671759.db2.gz	CLASSHLPSPNXHB-MRXNPFEDSA-N	1	1	418.581	1.653	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1	ZINC000505005804	1075672547	/nfs/dbraw/zinc/67/25/47/1075672547.db2.gz	NXMLZJXSYDBQQP-KRWDZBQOSA-N	1	1	403.508	1.298	20	0		HDADMO
COc1cccc([C@H](O)CNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1	ZINC000732240645	1075677328	/nfs/dbraw/zinc/67/73/28/1075677328.db2.gz	HUALXRWINPAJAM-JOCHJYFZSA-N	1	1	412.534	1.975	20	0		HDADMO
COc1cccc([C@H](O)CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000732245250	1075679424	/nfs/dbraw/zinc/67/94/24/1075679424.db2.gz	WOVZPWOKLQZFBD-OAQYLSRUSA-N	1	1	413.522	1.635	20	0		HDADMO
O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccccc1CN1C(=O)CNC1=O	ZINC000732232453	1075684782	/nfs/dbraw/zinc/68/47/82/1075684782.db2.gz	CUPQTEMSVMBJQQ-MRXNPFEDSA-N	1	1	403.483	1.097	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)cc1)[NH+]1CCOCC1	ZINC000485033687	1075685621	/nfs/dbraw/zinc/68/56/21/1075685621.db2.gz	MFADOWLTHZEFTM-AWEZNQCLSA-N	1	1	417.539	1.868	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000732263181	1075689430	/nfs/dbraw/zinc/68/94/30/1075689430.db2.gz	LAHRXOCGPUZAJB-UHFFFAOYSA-N	1	1	417.597	1.897	20	0		HDADMO
C[C@H](C(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1	ZINC000732271464	1075690825	/nfs/dbraw/zinc/69/08/25/1075690825.db2.gz	XZECVKBEBJTYRD-QGZVFWFLSA-N	1	1	401.532	1.669	20	0		HDADMO
C[C@H](C(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@H+]1CCc2ccccc2C1	ZINC000732271464	1075690832	/nfs/dbraw/zinc/69/08/32/1075690832.db2.gz	XZECVKBEBJTYRD-QGZVFWFLSA-N	1	1	401.532	1.669	20	0		HDADMO
CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)CC1	ZINC001084992581	1075697729	/nfs/dbraw/zinc/69/77/29/1075697729.db2.gz	HWSKAAZNDZYHAA-GPOTWBHZSA-N	1	1	401.551	1.591	20	0		HDADMO
CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1	ZINC000732287983	1075698831	/nfs/dbraw/zinc/69/88/31/1075698831.db2.gz	KRXUWAXGJPQWHG-SFHVURJKSA-N	1	1	414.579	1.871	20	0		HDADMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)c3cnc(C4CC4)nc3N)CC2)C[C@@H](C)O1	ZINC000503351547	1075699162	/nfs/dbraw/zinc/69/91/62/1075699162.db2.gz	GEBHOKPTNZQIIA-HUUCEWRRSA-N	1	1	403.527	1.667	20	0		HDADMO
O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)N1CCc2ccccc21	ZINC001084993175	1075699689	/nfs/dbraw/zinc/69/96/89/1075699689.db2.gz	PLTZXQCFWIPJJQ-AIDPKXPDSA-N	1	1	421.541	1.922	20	0		HDADMO
O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)N1CCc2ccccc21	ZINC001084993175	1075699692	/nfs/dbraw/zinc/69/96/92/1075699692.db2.gz	PLTZXQCFWIPJJQ-AIDPKXPDSA-N	1	1	421.541	1.922	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509437663	1075700012	/nfs/dbraw/zinc/70/00/12/1075700012.db2.gz	KRAISBNYWKJXMD-ICSRJNTNSA-N	1	1	402.539	1.197	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3nnc4ccccc4c3O)c2)C1	ZINC000732289448	1075700390	/nfs/dbraw/zinc/70/03/90/1075700390.db2.gz	GPFKLJUVQPPOMI-QGZVFWFLSA-N	1	1	419.485	1.963	20	0		HDADMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1	ZINC000515274613	1075700711	/nfs/dbraw/zinc/70/07/11/1075700711.db2.gz	CEOQXEKFHNDDQG-QGZVFWFLSA-N	1	1	411.506	1.582	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000491515944	1075700803	/nfs/dbraw/zinc/70/08/03/1075700803.db2.gz	VXGOBSYTFSLLBO-BXUZGUMPSA-N	1	1	422.411	1.824	20	0		HDADMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)C[C@H](C)O1	ZINC000498961122	1075701371	/nfs/dbraw/zinc/70/13/71/1075701371.db2.gz	GROLSYDABXARCI-CALCHBBNSA-N	1	1	417.554	1.896	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)n1	ZINC000466014700	1075702887	/nfs/dbraw/zinc/70/28/87/1075702887.db2.gz	YJSHLPGOJGASMN-UHFFFAOYSA-N	1	1	424.505	2.518	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)n1	ZINC000466014700	1075702892	/nfs/dbraw/zinc/70/28/92/1075702892.db2.gz	YJSHLPGOJGASMN-UHFFFAOYSA-N	1	1	424.505	2.518	20	0		HDADMO
COc1cc2[nH+]c(N[C@H]3CCN(c4ccccc4C(N)=O)C3)nc(N)c2cc1OC	ZINC000601523672	1075703397	/nfs/dbraw/zinc/70/33/97/1075703397.db2.gz	GRFRWZSEDCVMKE-LBPRGKRZSA-N	1	1	408.462	1.441	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)c2)CCO1	ZINC000520667871	1075703830	/nfs/dbraw/zinc/70/38/30/1075703830.db2.gz	RCIVZIGWEVKRGV-OAHLLOKOSA-N	1	1	411.506	1.773	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)c2)CCO1	ZINC000520667871	1075703836	/nfs/dbraw/zinc/70/38/36/1075703836.db2.gz	RCIVZIGWEVKRGV-OAHLLOKOSA-N	1	1	411.506	1.773	20	0		HDADMO
CCC[C@@H]1CN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC[N@H+]1CCOC	ZINC000501586827	1075705228	/nfs/dbraw/zinc/70/52/28/1075705228.db2.gz	CWXNVHFLBUOEHP-MRXNPFEDSA-N	1	1	403.531	1.215	20	0		HDADMO
C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509436561	1075710589	/nfs/dbraw/zinc/71/05/89/1075710589.db2.gz	GKFRMDVGNGFJKZ-BJLQDIEVSA-N	1	1	402.539	1.075	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1CCO	ZINC000509438652	1075715969	/nfs/dbraw/zinc/71/59/69/1075715969.db2.gz	NAWKMCXGLYGTLH-AZUAARDMSA-N	1	1	402.539	1.077	20	0		HDADMO
C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000512461891	1075717051	/nfs/dbraw/zinc/71/70/51/1075717051.db2.gz	GJQDOMCMRBQNRI-MJGOQNOKSA-N	1	1	410.570	1.473	20	0		HDADMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000486225699	1075720332	/nfs/dbraw/zinc/72/03/32/1075720332.db2.gz	LLPXMWVGUYMXKV-KXBFYZLASA-N	1	1	409.538	1.522	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1	ZINC000463264336	1075720355	/nfs/dbraw/zinc/72/03/55/1075720355.db2.gz	GCOXLHLWZYTFRK-HOCLYGCPSA-N	1	1	401.540	1.472	20	0		HDADMO
O=C(COC(=O)[C@H]1CNC(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000732360587	1075723228	/nfs/dbraw/zinc/72/32/28/1075723228.db2.gz	HILNORADLNGZKI-LJQANCHMSA-N	1	1	422.485	1.145	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[N@H+]1Cc1ccccc1	ZINC000429257065	1075723325	/nfs/dbraw/zinc/72/33/25/1075723325.db2.gz	NBCQDZYWVIXRLA-ZBFHGGJFSA-N	1	1	422.489	2.161	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)NCCNc2ccc(-c3ccccc3)nn2)CC1	ZINC000443643542	1075723662	/nfs/dbraw/zinc/72/36/62/1075723662.db2.gz	BJKHCKJIZCKAGX-UHFFFAOYSA-N	1	1	411.554	1.881	20	0		HDADMO
Nc1nccc([C@H]2CCC[N@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C2)n1	ZINC000554842088	1075726465	/nfs/dbraw/zinc/72/64/65/1075726465.db2.gz	GFKJGGVITMLNLC-INIZCTEOSA-N	1	1	400.552	1.644	20	0		HDADMO
Nc1nccc([C@H]2CCC[N@@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C2)n1	ZINC000554842088	1075726470	/nfs/dbraw/zinc/72/64/70/1075726470.db2.gz	GFKJGGVITMLNLC-INIZCTEOSA-N	1	1	400.552	1.644	20	0		HDADMO
Cc1onc(N)c1S(=O)(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000564358844	1075727476	/nfs/dbraw/zinc/72/74/76/1075727476.db2.gz	YANYCPWVTWXECG-UHFFFAOYSA-N	1	1	413.931	1.709	20	0		HDADMO
CCN(Cc1ccccn1)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509441899	1075728667	/nfs/dbraw/zinc/72/86/67/1075728667.db2.gz	LNBTZBSKVZRTNC-LJQANCHMSA-N	1	1	409.534	1.757	20	0		HDADMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@@H]2C1	ZINC000509258843	1075728977	/nfs/dbraw/zinc/72/89/77/1075728977.db2.gz	POHXPVIOYXIMJD-ARFHVFGLSA-N	1	1	412.581	1.494	20	0		HDADMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@H]2C1	ZINC000509258849	1075728997	/nfs/dbraw/zinc/72/89/97/1075728997.db2.gz	POHXPVIOYXIMJD-XHSDSOJGSA-N	1	1	412.581	1.494	20	0		HDADMO
CC[NH+]1CCN(c2ccc(C(=O)N[C@H](CC(N)=O)C3CCOCC3)cc2F)CC1	ZINC000466638326	1075734312	/nfs/dbraw/zinc/73/43/12/1075734312.db2.gz	ZXIAALUJFHMKTN-GOSISDBHSA-N	1	1	406.502	1.368	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H](C)c1nccs1	ZINC000509442920	1075734427	/nfs/dbraw/zinc/73/44/27/1075734427.db2.gz	VJLDSWHOKLKAIN-IRXDYDNUSA-N	1	1	415.563	1.690	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@]1(C)CCCO	ZINC000509442835	1075735810	/nfs/dbraw/zinc/73/58/10/1075735810.db2.gz	UQURVGKTEMZUEI-CVDCTZTESA-N	1	1	416.566	1.467	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1	ZINC000509257486	1075735825	/nfs/dbraw/zinc/73/58/25/1075735825.db2.gz	UEMHBDVJSIPXEX-UHFFFAOYSA-N	1	1	415.494	1.395	20	0		HDADMO
CCC(O)(CC)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509442517	1075736719	/nfs/dbraw/zinc/73/67/19/1075736719.db2.gz	QCBHSUILKTYZDK-SFHVURJKSA-N	1	1	404.555	1.371	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21	ZINC000509443147	1075738778	/nfs/dbraw/zinc/73/87/78/1075738778.db2.gz	XQRAMSBAVZVPQK-GFOJFJKKSA-N	1	1	414.550	1.387	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1	ZINC000732415355	1075740030	/nfs/dbraw/zinc/74/00/30/1075740030.db2.gz	AGIPNJOVZBRZEL-UHFFFAOYSA-N	1	1	400.501	1.055	20	0		HDADMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509259559	1075745271	/nfs/dbraw/zinc/74/52/71/1075745271.db2.gz	VNCUIFSDIUICEM-LSDHHAIUSA-N	1	1	400.570	1.494	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1	ZINC000732463241	1075751279	/nfs/dbraw/zinc/75/12/79/1075751279.db2.gz	LGFNFNFXLOSJIC-PKOBYXMFSA-N	1	1	404.511	1.919	20	0		HDADMO
C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000429267545	1075756021	/nfs/dbraw/zinc/75/60/21/1075756021.db2.gz	MXLSAEPMMGJQRI-SFHVURJKSA-N	1	1	412.513	1.865	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000436835629	1075759730	/nfs/dbraw/zinc/75/97/30/1075759730.db2.gz	ALSRGFFLTGFDKQ-OAHLLOKOSA-N	1	1	407.522	1.989	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000436835629	1075759734	/nfs/dbraw/zinc/75/97/34/1075759734.db2.gz	ALSRGFFLTGFDKQ-OAHLLOKOSA-N	1	1	407.522	1.989	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	ZINC000732485244	1075762098	/nfs/dbraw/zinc/76/20/98/1075762098.db2.gz	OMCPBYUEAPBKKS-MRXNPFEDSA-N	1	1	407.946	1.631	20	0		HDADMO
CC(C)(C)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)no1	ZINC000493681484	1075770464	/nfs/dbraw/zinc/77/04/64/1075770464.db2.gz	OGEAALQRGVRRKM-SJORKVTESA-N	1	1	414.506	1.910	20	0		HDADMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)C[C@H](C)O1	ZINC000466644402	1075770995	/nfs/dbraw/zinc/77/09/95/1075770995.db2.gz	VGJOHPWOXHKEFM-KBPBESRZSA-N	1	1	416.469	1.752	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1)C1CC1	ZINC000804223541	1075775949	/nfs/dbraw/zinc/77/59/49/1075775949.db2.gz	FAOLYDRBZBLJJS-CGTJXYLNSA-N	1	1	422.570	1.739	20	0		HDADMO
CC(C)(C)c1nnc(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1	ZINC000616202077	1075776644	/nfs/dbraw/zinc/77/66/44/1075776644.db2.gz	UHGHCGPDASPSCL-UHFFFAOYSA-N	1	1	409.556	1.925	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)C1CC1	ZINC000804225906	1075777705	/nfs/dbraw/zinc/77/77/05/1075777705.db2.gz	WQLSIOCOLJJDEF-HNNXBMFYSA-N	1	1	420.529	1.565	20	0		HDADMO
CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558569	1075785691	/nfs/dbraw/zinc/78/56/91/1075785691.db2.gz	BRQMOSSTDGVUPO-QKWWCAPFSA-N	1	1	420.579	1.698	20	0		HDADMO
CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558569	1075785699	/nfs/dbraw/zinc/78/56/99/1075785699.db2.gz	BRQMOSSTDGVUPO-QKWWCAPFSA-N	1	1	420.579	1.698	20	0		HDADMO
O=C(NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1)[C@H]1CCC[N@H+]1C1CCCC1	ZINC001063363835	1075788095	/nfs/dbraw/zinc/78/80/95/1075788095.db2.gz	SKLHRGKKQNYFPT-FZWBFHRNSA-N	1	1	401.551	1.972	20	0		HDADMO
CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732564527	1075789749	/nfs/dbraw/zinc/78/97/49/1075789749.db2.gz	QASLIMGXFZRIOA-OAHLLOKOSA-N	1	1	400.445	1.494	20	0		HDADMO
CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732564527	1075789755	/nfs/dbraw/zinc/78/97/55/1075789755.db2.gz	QASLIMGXFZRIOA-OAHLLOKOSA-N	1	1	400.445	1.494	20	0		HDADMO
CN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565116	1075789978	/nfs/dbraw/zinc/78/99/78/1075789978.db2.gz	VRSHRKBHGPXWKI-QAPCUYQASA-N	1	1	417.476	1.187	20	0		HDADMO
CN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565116	1075789982	/nfs/dbraw/zinc/78/99/82/1075789982.db2.gz	VRSHRKBHGPXWKI-QAPCUYQASA-N	1	1	417.476	1.187	20	0		HDADMO
NC(=[NH+]OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCOCC1	ZINC000732569381	1075790306	/nfs/dbraw/zinc/79/03/06/1075790306.db2.gz	MWUMOTLMONWWSD-UHFFFAOYSA-N	1	1	413.496	1.011	20	0		HDADMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@H]1Cc1ccccc1	ZINC000556552769	1075790735	/nfs/dbraw/zinc/79/07/35/1075790735.db2.gz	ITGZTMDONKFPLX-OAHLLOKOSA-N	1	1	409.412	1.769	20	0		HDADMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@H]1Cc1ccccc1	ZINC000556552769	1075790739	/nfs/dbraw/zinc/79/07/39/1075790739.db2.gz	ITGZTMDONKFPLX-OAHLLOKOSA-N	1	1	409.412	1.769	20	0		HDADMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H]1Cc1ccccc1	ZINC000556552765	1075790874	/nfs/dbraw/zinc/79/08/74/1075790874.db2.gz	ITGZTMDONKFPLX-HNNXBMFYSA-N	1	1	409.412	1.769	20	0		HDADMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H]1Cc1ccccc1	ZINC000556552765	1075790879	/nfs/dbraw/zinc/79/08/79/1075790879.db2.gz	ITGZTMDONKFPLX-HNNXBMFYSA-N	1	1	409.412	1.769	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNc3nnc(C4CCOCC4)s3)cc2)CC1	ZINC000549108977	1075791192	/nfs/dbraw/zinc/79/11/92/1075791192.db2.gz	LHIAXKCZLXAQSX-UHFFFAOYSA-N	1	1	401.536	2.432	20	0		HDADMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)[C@H]1c1ccccc1	ZINC000534686326	1075796311	/nfs/dbraw/zinc/79/63/11/1075796311.db2.gz	IXSUJNHEKGDMPT-RTBURBONSA-N	1	1	404.474	1.827	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCCCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1	ZINC000468699555	1075797727	/nfs/dbraw/zinc/79/77/27/1075797727.db2.gz	JIVJNYJVEGLFCD-KRWDZBQOSA-N	1	1	408.568	1.876	20	0		HDADMO
C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)[C@@H]2C1	ZINC000645615634	1075800457	/nfs/dbraw/zinc/80/04/57/1075800457.db2.gz	RAXNKOXUOGIYTC-IUODEOHRSA-N	1	1	418.295	1.736	20	0		HDADMO
CC(C)(c1nnc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s1)c1ccccc1	ZINC000438012816	1075800658	/nfs/dbraw/zinc/80/06/58/1075800658.db2.gz	QNYUQIHDKWBQCN-HXUWFJFHSA-N	1	1	419.551	2.069	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1C	ZINC000042027947	1075801411	/nfs/dbraw/zinc/80/14/11/1075801411.db2.gz	CPVNTGYTIFQMBQ-IBGZPJMESA-N	1	1	411.568	1.445	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)C1CC1	ZINC000673340271	1075803801	/nfs/dbraw/zinc/80/38/01/1075803801.db2.gz	ZRRPKMZSQHSOAQ-QHAWAJNXSA-N	1	1	415.534	1.420	20	0		HDADMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000143212978	1075809431	/nfs/dbraw/zinc/80/94/31/1075809431.db2.gz	LNBGVHRMKTYWEB-HXUWFJFHSA-N	1	1	402.458	1.917	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)/C=C/C2CCOCC2)cc1	ZINC000732638852	1075810415	/nfs/dbraw/zinc/81/04/15/1075810415.db2.gz	CRIHDCCGTAHSDX-FPYGCLRLSA-N	1	1	400.523	1.818	20	0		HDADMO
O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=CN2CCS(=O)(=O)N=C12	ZINC000732645409	1075812633	/nfs/dbraw/zinc/81/26/33/1075812633.db2.gz	AXJKRPPFUZCUTR-UHFFFAOYSA-N	1	1	424.592	1.352	20	0		HDADMO
CC(C)CCn1ccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1	ZINC000543827223	1075816589	/nfs/dbraw/zinc/81/65/89/1075816589.db2.gz	OIMNAUYHEQNHNZ-LJQANCHMSA-N	1	1	413.522	1.751	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1	ZINC000611036985	1075817798	/nfs/dbraw/zinc/81/77/98/1075817798.db2.gz	XNBUOEMMQWCWRK-OAHLLOKOSA-N	1	1	423.535	1.278	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000611036581	1075817892	/nfs/dbraw/zinc/81/78/92/1075817892.db2.gz	FACVCHAPIQBJBJ-HNNXBMFYSA-N	1	1	411.524	1.636	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000611036581	1075817898	/nfs/dbraw/zinc/81/78/98/1075817898.db2.gz	FACVCHAPIQBJBJ-HNNXBMFYSA-N	1	1	411.524	1.636	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCC2)c(Br)cc1F	ZINC000611057771	1075826731	/nfs/dbraw/zinc/82/67/31/1075826731.db2.gz	WMHJYWVIEFRGEF-UHFFFAOYSA-N	1	1	402.220	1.135	20	0		HDADMO
COC(=O)c1cccc([C@H](C(=O)OC)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1	ZINC000611089214	1075827965	/nfs/dbraw/zinc/82/79/65/1075827965.db2.gz	LDNWSCWWSBZNIW-WOJBJXKFSA-N	1	1	403.523	1.789	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1	ZINC000611102628	1075835227	/nfs/dbraw/zinc/83/52/27/1075835227.db2.gz	VYLWMIMRYXWAAW-GDBMZVCRSA-N	1	1	413.478	1.505	20	0		HDADMO
CC[N@H+]1CCC[C@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000732704201	1075837480	/nfs/dbraw/zinc/83/74/80/1075837480.db2.gz	SJBSKRUEMITGKU-CQSZACIVSA-N	1	1	414.494	1.579	20	0		HDADMO
COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000611090894	1075839741	/nfs/dbraw/zinc/83/97/41/1075839741.db2.gz	QUABNRLMFRIDDP-AWEZNQCLSA-N	1	1	401.463	1.015	20	0		HDADMO
COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000611090894	1075839749	/nfs/dbraw/zinc/83/97/49/1075839749.db2.gz	QUABNRLMFRIDDP-AWEZNQCLSA-N	1	1	401.463	1.015	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CC[N@@H+](CC)[C@H](C)C1	ZINC000611092511	1075840383	/nfs/dbraw/zinc/84/03/83/1075840383.db2.gz	WUFUMSWDGICJTF-GFCCVEGCSA-N	1	1	410.540	1.557	20	0		HDADMO
C[N@H+](CCN1C(=O)c2ccccc2C1=O)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000611093601	1075840403	/nfs/dbraw/zinc/84/04/03/1075840403.db2.gz	HDLUEYPONCNPNS-UHFFFAOYSA-N	1	1	424.413	1.291	20	0		HDADMO
C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000611093601	1075840412	/nfs/dbraw/zinc/84/04/12/1075840412.db2.gz	HDLUEYPONCNPNS-UHFFFAOYSA-N	1	1	424.413	1.291	20	0		HDADMO
CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cs1	ZINC000732764949	1075848364	/nfs/dbraw/zinc/84/83/64/1075848364.db2.gz	VLKUSCZSHBSFME-GJZGRUSLSA-N	1	1	410.540	1.839	20	0		HDADMO
O=C(c1cncc(I)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000611135083	1075849726	/nfs/dbraw/zinc/84/97/26/1075849726.db2.gz	KAELDTGEGDEZFM-KGLIPLIRSA-N	1	1	401.248	1.357	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CCCNC(=O)OCc3ccccc3)C2)CC1	ZINC000732780910	1075865287	/nfs/dbraw/zinc/86/52/87/1075865287.db2.gz	NGEZGXHIJMMILR-LJQANCHMSA-N	1	1	402.539	1.978	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CCCNC(=O)OCc3ccccc3)C2)CC1	ZINC000732780910	1075865291	/nfs/dbraw/zinc/86/52/91/1075865291.db2.gz	NGEZGXHIJMMILR-LJQANCHMSA-N	1	1	402.539	1.978	20	0		HDADMO
Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2=O)cc1F	ZINC000732782365	1075866169	/nfs/dbraw/zinc/86/61/69/1075866169.db2.gz	YAQYQFNDXKILDP-DLBZAZTESA-N	1	1	402.514	1.772	20	0		HDADMO
Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2=O)cc1F	ZINC000732782365	1075866175	/nfs/dbraw/zinc/86/61/75/1075866175.db2.gz	YAQYQFNDXKILDP-DLBZAZTESA-N	1	1	402.514	1.772	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1	ZINC000732782740	1075867805	/nfs/dbraw/zinc/86/78/05/1075867805.db2.gz	ZCHVNARPDXZLHD-ROUUACIJSA-N	1	1	418.969	1.973	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1	ZINC000732782740	1075867809	/nfs/dbraw/zinc/86/78/09/1075867809.db2.gz	ZCHVNARPDXZLHD-ROUUACIJSA-N	1	1	418.969	1.973	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)NCc1cccc(C(=O)NC2CC2)c1	ZINC000732808855	1075870747	/nfs/dbraw/zinc/87/07/47/1075870747.db2.gz	FBKUIRXFCYNRQD-FQEVSTJZSA-N	1	1	412.534	1.672	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)NCc1cccc(C(=O)NC2CC2)c1	ZINC000732808855	1075870749	/nfs/dbraw/zinc/87/07/49/1075870749.db2.gz	FBKUIRXFCYNRQD-FQEVSTJZSA-N	1	1	412.534	1.672	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1	ZINC000732808891	1075871095	/nfs/dbraw/zinc/87/10/95/1075871095.db2.gz	OQLOGBGMRCLHHX-IBGZPJMESA-N	1	1	406.571	1.569	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1	ZINC000732808891	1075871099	/nfs/dbraw/zinc/87/10/99/1075871099.db2.gz	OQLOGBGMRCLHHX-IBGZPJMESA-N	1	1	406.571	1.569	20	0		HDADMO
C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810313	1075871319	/nfs/dbraw/zinc/87/13/19/1075871319.db2.gz	LGCBLQRCBPUUDW-HNNXBMFYSA-N	1	1	413.444	1.215	20	0		HDADMO
COCC1CC[NH+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1	ZINC000732811165	1075872287	/nfs/dbraw/zinc/87/22/87/1075872287.db2.gz	NWMIELXLKPXOEU-OAQYLSRUSA-N	1	1	402.495	1.319	20	0		HDADMO
CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732811300	1075872316	/nfs/dbraw/zinc/87/23/16/1075872316.db2.gz	SDNSFLQYGUMWOD-QGZVFWFLSA-N	1	1	412.456	1.426	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000732815269	1075876034	/nfs/dbraw/zinc/87/60/34/1075876034.db2.gz	FTQCGDGPKCCULT-JIHKLPAASA-N	1	1	421.494	1.843	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)[C@H]1C[N@H+](C)CCO1	ZINC000611200611	1075876880	/nfs/dbraw/zinc/87/68/80/1075876880.db2.gz	ACQXZRDGGUEYTR-MLGOLLRUSA-N	1	1	409.458	1.555	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)[C@H]1C[N@@H+](C)CCO1	ZINC000611200611	1075876882	/nfs/dbraw/zinc/87/68/82/1075876882.db2.gz	ACQXZRDGGUEYTR-MLGOLLRUSA-N	1	1	409.458	1.555	20	0		HDADMO
C[NH+]1CCN(c2nc3ccccc3nc2N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000611203602	1075877508	/nfs/dbraw/zinc/87/75/08/1075877508.db2.gz	ZJBLTVNCRMXMKZ-GOSISDBHSA-N	1	1	413.522	1.929	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)CC1	ZINC000732821054	1075879260	/nfs/dbraw/zinc/87/92/60/1075879260.db2.gz	ABIZSFXELAIUOW-GOSISDBHSA-N	1	1	407.559	1.164	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CCN3C(=S)N=NC3c3cccs3)C2)CC1	ZINC000732834219	1075882214	/nfs/dbraw/zinc/88/22/14/1075882214.db2.gz	OWMCNBJWXOOOPO-AWEZNQCLSA-N	1	1	420.608	1.970	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CCN3C(=S)N=NC3c3cccs3)C2)CC1	ZINC000732834219	1075882221	/nfs/dbraw/zinc/88/22/21/1075882221.db2.gz	OWMCNBJWXOOOPO-AWEZNQCLSA-N	1	1	420.608	1.970	20	0		HDADMO
COC(=O)[C@H](c1cc(OC)cc(OC)c1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000611244167	1075884958	/nfs/dbraw/zinc/88/49/58/1075884958.db2.gz	GFCXDASOYXCJNP-MOPGFXCFSA-N	1	1	405.495	1.332	20	0		HDADMO
COC(=O)[C@H](c1cc(OC)cc(OC)c1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000611244168	1075885060	/nfs/dbraw/zinc/88/50/60/1075885060.db2.gz	GFCXDASOYXCJNP-OALUTQOASA-N	1	1	405.495	1.332	20	0		HDADMO
COc1c(C(=O)OCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)nn1C	ZINC000732853606	1075886565	/nfs/dbraw/zinc/88/65/65/1075886565.db2.gz	ZGFZRNJRZYKKBU-MRXNPFEDSA-N	1	1	400.479	1.799	20	0		HDADMO
CCc1cc(CNC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)[nH]n1	ZINC000732880119	1075890415	/nfs/dbraw/zinc/89/04/15/1075890415.db2.gz	JYOKDOGPPGRGAE-UHFFFAOYSA-N	1	1	413.526	1.504	20	0		HDADMO
CCc1cc(CNC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)n[nH]1	ZINC000732880119	1075890416	/nfs/dbraw/zinc/89/04/16/1075890416.db2.gz	JYOKDOGPPGRGAE-UHFFFAOYSA-N	1	1	413.526	1.504	20	0		HDADMO
COC(=O)CN1CCN(c2ccc(NC(=O)NCC[NH+]3CCSCC3)cc2)CC1	ZINC000732881060	1075890643	/nfs/dbraw/zinc/89/06/43/1075890643.db2.gz	TWZQMSMSNIMFMZ-UHFFFAOYSA-N	1	1	421.567	1.152	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cn1	ZINC000732890186	1075894006	/nfs/dbraw/zinc/89/40/06/1075894006.db2.gz	XSFPMZJQJAKLAV-CQSZACIVSA-N	1	1	410.400	1.880	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1	ZINC000611320855	1075900190	/nfs/dbraw/zinc/90/01/90/1075900190.db2.gz	WHTBEQKIFDTXPE-MRXNPFEDSA-N	1	1	421.563	1.944	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1	ZINC000611321970	1075900436	/nfs/dbraw/zinc/90/04/36/1075900436.db2.gz	FRSURRUMIXXVSZ-CYBMUJFWSA-N	1	1	411.449	1.931	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1	ZINC000611321970	1075900442	/nfs/dbraw/zinc/90/04/42/1075900442.db2.gz	FRSURRUMIXXVSZ-CYBMUJFWSA-N	1	1	411.449	1.931	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1	ZINC000611327232	1075907581	/nfs/dbraw/zinc/90/75/81/1075907581.db2.gz	PWEZBEMTIBUSEM-DLBZAZTESA-N	1	1	410.559	1.550	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1	ZINC000611328064	1075907791	/nfs/dbraw/zinc/90/77/91/1075907791.db2.gz	MCDOETRILUAYLD-ROUUACIJSA-N	1	1	410.559	1.014	20	0		HDADMO
COCC1CCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CC1	ZINC000732898152	1075915322	/nfs/dbraw/zinc/91/53/22/1075915322.db2.gz	KNGPJYWVXWIJHE-UHFFFAOYSA-N	1	1	408.930	1.915	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cn1	ZINC000732899034	1075915983	/nfs/dbraw/zinc/91/59/83/1075915983.db2.gz	NEBBVSXSPIXFFO-MRXNPFEDSA-N	1	1	422.420	1.575	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000732930868	1075919131	/nfs/dbraw/zinc/91/91/31/1075919131.db2.gz	SNLVTAOQLHATMD-WOJBJXKFSA-N	1	1	415.607	1.768	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000732930860	1075919219	/nfs/dbraw/zinc/91/92/19/1075919219.db2.gz	SNLVTAOQLHATMD-PMACEKPBSA-N	1	1	415.607	1.768	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCCCC(=O)OC(C)(C)C)CC2)CC1	ZINC000611363535	1075919550	/nfs/dbraw/zinc/91/95/50/1075919550.db2.gz	SKBKUPCGTCXBCC-UHFFFAOYSA-N	1	1	410.559	1.694	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)[C@@H](C)C1	ZINC000611384796	1075923093	/nfs/dbraw/zinc/92/30/93/1075923093.db2.gz	WMESZLPFDUQPFV-JENIJYKNSA-N	1	1	401.507	1.692	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)[C@@H](C)C1	ZINC000611384796	1075923094	/nfs/dbraw/zinc/92/30/94/1075923094.db2.gz	WMESZLPFDUQPFV-JENIJYKNSA-N	1	1	401.507	1.692	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)C1	ZINC000611401542	1075925774	/nfs/dbraw/zinc/92/57/74/1075925774.db2.gz	XGPRSJNXIOQVBN-UWJYYQICSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)C1	ZINC000611401542	1075925775	/nfs/dbraw/zinc/92/57/75/1075925775.db2.gz	XGPRSJNXIOQVBN-UWJYYQICSA-N	1	1	403.523	1.466	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000732965531	1075933131	/nfs/dbraw/zinc/93/31/31/1075933131.db2.gz	YFISSMQUAGUCSH-UHFFFAOYSA-N	1	1	424.498	1.597	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1C	ZINC000611456027	1075938364	/nfs/dbraw/zinc/93/83/64/1075938364.db2.gz	IIYJHSYZNVQJAE-UHFFFAOYSA-N	1	1	401.488	1.956	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)c1C	ZINC000611456027	1075938366	/nfs/dbraw/zinc/93/83/66/1075938366.db2.gz	IIYJHSYZNVQJAE-UHFFFAOYSA-N	1	1	401.488	1.956	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1	ZINC000732991425	1075941697	/nfs/dbraw/zinc/94/16/97/1075941697.db2.gz	GJUMCMZRXHYNID-UHFFFAOYSA-N	1	1	411.547	1.286	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)C2CCS(=O)(=O)CC2)CC1	ZINC000733026345	1075945162	/nfs/dbraw/zinc/94/51/62/1075945162.db2.gz	SFFXFJGFSDHUJH-INIZCTEOSA-N	1	1	408.520	1.260	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)C[C@@H]1C	ZINC000611484542	1075946741	/nfs/dbraw/zinc/94/67/41/1075946741.db2.gz	AGFSNMMTJLSHOY-FXAWDEMLSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)C[C@@H]1C	ZINC000611484542	1075946742	/nfs/dbraw/zinc/94/67/42/1075946742.db2.gz	AGFSNMMTJLSHOY-FXAWDEMLSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nc1C1CC1	ZINC000611544303	1075959104	/nfs/dbraw/zinc/95/91/04/1075959104.db2.gz	NYQUAJAMCSPXFW-KRWDZBQOSA-N	1	1	415.538	1.713	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nc1C1CC1	ZINC000611544303	1075959108	/nfs/dbraw/zinc/95/91/08/1075959108.db2.gz	NYQUAJAMCSPXFW-KRWDZBQOSA-N	1	1	415.538	1.713	20	0		HDADMO
CC(C)(C)[N@H+]1CCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1	ZINC000733045399	1075964742	/nfs/dbraw/zinc/96/47/42/1075964742.db2.gz	LKNYACWHUYBEBE-UHFFFAOYSA-N	1	1	410.531	1.767	20	0		HDADMO
CC(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001079140723	1075965202	/nfs/dbraw/zinc/96/52/02/1075965202.db2.gz	YVYVVAOAQZAMTA-VNXMGFANSA-N	1	1	402.535	1.768	20	0		HDADMO
Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2cccc(F)c2)nn1	ZINC001079192438	1075966944	/nfs/dbraw/zinc/96/69/44/1075966944.db2.gz	HFEFFLBEQIOZTG-FYBDHJHVSA-N	1	1	411.481	1.462	20	0		HDADMO
Cc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]4COC[C@@H]43)CC2)o1	ZINC001079263046	1075968084	/nfs/dbraw/zinc/96/80/84/1075968084.db2.gz	KHTUFBCFESWYFV-SFFUCWETSA-N	1	1	402.495	1.385	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2C)no1	ZINC000505175338	1075971108	/nfs/dbraw/zinc/97/11/08/1075971108.db2.gz	WHRJYVIHQWGLDM-UHFFFAOYSA-N	1	1	402.499	1.696	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)c1nnn(Cc2cc(C)on2)c1C)[NH+]1CCOCC1	ZINC000505326692	1075971332	/nfs/dbraw/zinc/97/13/32/1075971332.db2.gz	PCLLYMGKMDMYMQ-SFHVURJKSA-N	1	1	404.515	1.798	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1=O	ZINC000733125005	1075978517	/nfs/dbraw/zinc/97/85/17/1075978517.db2.gz	BOJFYEVLXUCHAX-ZFWWWQNUSA-N	1	1	408.449	1.352	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1=O	ZINC000733129379	1075979580	/nfs/dbraw/zinc/97/95/80/1075979580.db2.gz	XEONHJQTKVRCTK-HOTGVXAUSA-N	1	1	411.506	1.627	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)N2CCCc3ccccc32)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163566	1075983873	/nfs/dbraw/zinc/98/38/73/1075983873.db2.gz	OQKWQMLGBATLFW-FTEWEBJXSA-N	1	1	409.530	1.826	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCCc3ccccc32)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163566	1075983877	/nfs/dbraw/zinc/98/38/77/1075983877.db2.gz	OQKWQMLGBATLFW-FTEWEBJXSA-N	1	1	409.530	1.826	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001080181756	1075985640	/nfs/dbraw/zinc/98/56/40/1075985640.db2.gz	JXNLNUOFZJAMNQ-OKRWTYQPSA-N	1	1	402.491	1.446	20	0		HDADMO
CN(C)c1cc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc(Cl)n1	ZINC000733153465	1075988155	/nfs/dbraw/zinc/98/81/55/1075988155.db2.gz	ZAMCIYOKGDJJNU-UHFFFAOYSA-N	1	1	407.946	1.817	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[S@](=O)Cc2ccccc2)CC1=O	ZINC000733153345	1075988169	/nfs/dbraw/zinc/98/81/69/1075988169.db2.gz	SXXKOOCVUPZXFD-BCRFLOQVSA-N	1	1	405.564	1.384	20	0		HDADMO
O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000733158826	1075991077	/nfs/dbraw/zinc/99/10/77/1075991077.db2.gz	RQNMKKLGRJSZAI-INIZCTEOSA-N	1	1	412.490	1.018	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOC[C@H]2c2nnc(-c3ccccc3)o2)C[C@H](C)O1	ZINC000510954509	1075991919	/nfs/dbraw/zinc/99/19/19/1075991919.db2.gz	UTDSDFPTFIMFKI-NBMJBFSESA-N	1	1	402.495	1.580	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCOC[C@H]2c2nnc(-c3ccccc3)o2)C[C@H](C)O1	ZINC000510954509	1075991922	/nfs/dbraw/zinc/99/19/22/1075991922.db2.gz	UTDSDFPTFIMFKI-NBMJBFSESA-N	1	1	402.495	1.580	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)no1	ZINC000511227405	1075993165	/nfs/dbraw/zinc/99/31/65/1075993165.db2.gz	BWBZLXLQNGJDLI-PBHICJAKSA-N	1	1	404.515	1.415	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000733170019	1075999722	/nfs/dbraw/zinc/99/97/22/1075999722.db2.gz	INCQNCSDGRCXEK-UOEVCUDDSA-N	1	1	415.517	1.509	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=S)N=NC2c2ccc(C)cc2)CC1	ZINC000733169611	1075999840	/nfs/dbraw/zinc/99/98/40/1075999840.db2.gz	DFULUPXWFGDKHA-QGZVFWFLSA-N	1	1	416.595	1.932	20	0		HDADMO
CC(C)[N@@H+](C)CCNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1	ZINC000733170904	1076000494	/nfs/dbraw/zinc/00/04/94/1076000494.db2.gz	GXDRPANVQNACOS-UHFFFAOYSA-N	1	1	406.346	1.769	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1	ZINC000733170476	1076000883	/nfs/dbraw/zinc/00/08/83/1076000883.db2.gz	NKIVYSGECHKPGW-OAHLLOKOSA-N	1	1	414.547	1.079	20	0		HDADMO
CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccccc1	ZINC001081148597	1076002796	/nfs/dbraw/zinc/00/27/96/1076002796.db2.gz	RRIGFAWWNCQMJU-OSFNYYGPSA-N	1	1	407.518	1.806	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N[C@@H](C)C[NH+]3CCN(c4ccccc4)CC3)c2C)no1	ZINC000513313337	1076005409	/nfs/dbraw/zinc/00/54/09/1076005409.db2.gz	VEMQRGFEYLZLLN-INIZCTEOSA-N	1	1	423.521	1.872	20	0		HDADMO
COC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1	ZINC000733183283	1076011567	/nfs/dbraw/zinc/01/15/67/1076011567.db2.gz	IYLWVBNBGQHHTJ-IIBYNOLFSA-N	1	1	403.479	1.974	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1	ZINC000733183283	1076011570	/nfs/dbraw/zinc/01/15/70/1076011570.db2.gz	IYLWVBNBGQHHTJ-IIBYNOLFSA-N	1	1	403.479	1.974	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)no1	ZINC000514019445	1076015928	/nfs/dbraw/zinc/01/59/28/1076015928.db2.gz	DTFRRXNACDSEKL-DOTOQJQBSA-N	1	1	404.515	1.249	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C2)no1	ZINC000514030956	1076016978	/nfs/dbraw/zinc/01/69/78/1076016978.db2.gz	NCSAPHIKNKTNHN-FUHWJXTLSA-N	1	1	418.542	1.781	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N(Cc3noc(CC)n3)C(C)=O)C2)C1	ZINC000514029848	1076017015	/nfs/dbraw/zinc/01/70/15/1076017015.db2.gz	XDHVKRFYCHUEOR-IAGOWNOFSA-N	1	1	406.531	1.496	20	0		HDADMO
CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](OC)C1	ZINC001081973253	1076021340	/nfs/dbraw/zinc/02/13/40/1076021340.db2.gz	HBVTWTXBGAJHDK-VNXMGFANSA-N	1	1	402.535	1.658	20	0		HDADMO
O=C(N[C@H](Cc1cccnc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1	ZINC000733256097	1076024440	/nfs/dbraw/zinc/02/44/40/1076024440.db2.gz	CKWXXYVHCGPXAG-NJDAHSKKSA-N	1	1	408.502	1.402	20	0		HDADMO
C[C@H](CS(C)(=O)=O)[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000733311859	1076036710	/nfs/dbraw/zinc/03/67/10/1076036710.db2.gz	WYUQATQATSPKKV-MRXNPFEDSA-N	1	1	409.552	1.749	20	0		HDADMO
C[C@H](CS(C)(=O)=O)[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000733311859	1076036715	/nfs/dbraw/zinc/03/67/15/1076036715.db2.gz	WYUQATQATSPKKV-MRXNPFEDSA-N	1	1	409.552	1.749	20	0		HDADMO
CC(C)(C)S(=O)(=O)CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000733333166	1076045583	/nfs/dbraw/zinc/04/55/83/1076045583.db2.gz	VHNNUUXPJZKWHJ-MRXNPFEDSA-N	1	1	410.540	1.471	20	0		HDADMO
CC(C)(C)S(=O)(=O)CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000733333166	1076045586	/nfs/dbraw/zinc/04/55/86/1076045586.db2.gz	VHNNUUXPJZKWHJ-MRXNPFEDSA-N	1	1	410.540	1.471	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1	ZINC000727131631	1076050364	/nfs/dbraw/zinc/05/03/64/1076050364.db2.gz	IOHQMQQYBJITOC-SFHVURJKSA-N	1	1	404.511	1.579	20	0		HDADMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCc2ccccc2CC1	ZINC000518246622	1076059119	/nfs/dbraw/zinc/05/91/19/1076059119.db2.gz	PSVZWUQJYIYPJV-QFIPXVFZSA-N	1	1	407.514	1.497	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1nc2ccccc2c(=O)n1C	ZINC001082652294	1076061764	/nfs/dbraw/zinc/06/17/64/1076061764.db2.gz	QHPRUTCCJHKSGC-MBSHIUBNSA-N	1	1	408.502	1.293	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1nc(-c2ccoc2)no1	ZINC001082658670	1076062468	/nfs/dbraw/zinc/06/24/68/1076062468.db2.gz	QNGUPZSHIGETPX-QGHZAEEISA-N	1	1	402.451	1.318	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl	ZINC000727175211	1076070293	/nfs/dbraw/zinc/07/02/93/1076070293.db2.gz	PLIBCFGTJUYZJY-ZDUSSCGKSA-N	1	1	405.948	1.725	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)CC1	ZINC000727437825	1076120767	/nfs/dbraw/zinc/12/07/67/1076120767.db2.gz	YPVPTNLBSJGMFU-UHFFFAOYSA-N	1	1	406.483	1.083	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)CC1	ZINC000733643303	1076137012	/nfs/dbraw/zinc/13/70/12/1076137012.db2.gz	KYROQTCDBNWDMH-UHFFFAOYSA-N	1	1	417.510	1.113	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000733648370	1076140203	/nfs/dbraw/zinc/14/02/03/1076140203.db2.gz	IFEHMSWIEPFXJA-SFTDATJTSA-N	1	1	417.554	1.179	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1	ZINC000733669941	1076151911	/nfs/dbraw/zinc/15/19/11/1076151911.db2.gz	NJMXSPSBGUNDHJ-KRWDZBQOSA-N	1	1	414.506	1.968	20	0		HDADMO
O=C(CNC(=O)c1ccc(O)cc1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000727540108	1076159117	/nfs/dbraw/zinc/15/91/17/1076159117.db2.gz	XINFXFLCFFBSNQ-UHFFFAOYSA-N	1	1	411.458	1.010	20	0		HDADMO
CC(C)[C@H](CNC(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)N1CC[NH+](C)CC1	ZINC000727599147	1076186442	/nfs/dbraw/zinc/18/64/42/1076186442.db2.gz	GJBXEOWBHMEEMX-SFHVURJKSA-N	1	1	411.591	1.957	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1	ZINC000526921022	1076191540	/nfs/dbraw/zinc/19/15/40/1076191540.db2.gz	KPJKXAOBULWNRN-LPHOPBHVSA-N	1	1	409.408	1.921	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1	ZINC000526921022	1076191543	/nfs/dbraw/zinc/19/15/43/1076191543.db2.gz	KPJKXAOBULWNRN-LPHOPBHVSA-N	1	1	409.408	1.921	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1	ZINC000526921024	1076191684	/nfs/dbraw/zinc/19/16/84/1076191684.db2.gz	KPJKXAOBULWNRN-VQIMIIECSA-N	1	1	409.408	1.921	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1	ZINC000526921024	1076191688	/nfs/dbraw/zinc/19/16/88/1076191688.db2.gz	KPJKXAOBULWNRN-VQIMIIECSA-N	1	1	409.408	1.921	20	0		HDADMO
COCC[N@H+](CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)CC(C)C	ZINC000733793531	1076199874	/nfs/dbraw/zinc/19/98/74/1076199874.db2.gz	HNLDIHUQUWRSNC-FQEVSTJZSA-N	1	1	406.483	1.098	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1	ZINC000733796574	1076215793	/nfs/dbraw/zinc/21/57/93/1076215793.db2.gz	MRSSYKHKGFFQGO-ZWKOTPCHSA-N	1	1	416.588	1.592	20	0		HDADMO
C[C@@H](CNC(=O)Cc1csc(-c2nc[nH]n2)n1)[NH+]1CCN(c2ccccc2)CC1	ZINC000727766533	1076219050	/nfs/dbraw/zinc/21/90/50/1076219050.db2.gz	BOPAKDRKTMEQCQ-HNNXBMFYSA-N	1	1	411.535	1.798	20	0		HDADMO
C[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[N@H+]1CCC[C@H](C)C1	ZINC000727766946	1076220669	/nfs/dbraw/zinc/22/06/69/1076220669.db2.gz	MBYGSGLDPJYDLU-XEYPJELSSA-N	1	1	403.523	1.995	20	0		HDADMO
O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000727768293	1076221300	/nfs/dbraw/zinc/22/13/00/1076221300.db2.gz	ZPTBSXSMYZXPGM-IBGZPJMESA-N	1	1	406.552	1.831	20	0		HDADMO
C[NH+]1CCN(c2cc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)ccn2)CC1	ZINC000727769024	1076222249	/nfs/dbraw/zinc/22/22/49/1076222249.db2.gz	HXGWCGCTEODPBX-UHFFFAOYSA-N	1	1	422.533	1.787	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000727749811	1076224588	/nfs/dbraw/zinc/22/45/88/1076224588.db2.gz	KXNIPVBFMCVNKC-AWEZNQCLSA-N	1	1	401.504	1.307	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)c1	ZINC000727755721	1076229492	/nfs/dbraw/zinc/22/94/92/1076229492.db2.gz	FGHZZNJKMCWVKU-HNNXBMFYSA-N	1	1	411.491	1.559	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)c1	ZINC000727755721	1076229497	/nfs/dbraw/zinc/22/94/97/1076229497.db2.gz	FGHZZNJKMCWVKU-HNNXBMFYSA-N	1	1	411.491	1.559	20	0		HDADMO
COc1cc(Cl)c(C)cc1N1C(=O)C[C@H]([NH+]2CCC3(CNC(=O)C3)CC2)C1=O	ZINC000530966102	1076236991	/nfs/dbraw/zinc/23/69/91/1076236991.db2.gz	CESRPZQXLVZBOG-HNNXBMFYSA-N	1	1	405.882	1.891	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NCC2CCN(CC[NH+](C)C)CC2)c1	ZINC000733882652	1076237802	/nfs/dbraw/zinc/23/78/02/1076237802.db2.gz	SJYNOQPKIPANRX-UHFFFAOYSA-N	1	1	416.595	1.932	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000733882301	1076238535	/nfs/dbraw/zinc/23/85/35/1076238535.db2.gz	GSKJOTGLPRNHMY-INIZCTEOSA-N	1	1	402.568	1.542	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)no1	ZINC000532805066	1076239207	/nfs/dbraw/zinc/23/92/07/1076239207.db2.gz	ZHHBWLYDKRUJOE-ZWKOTPCHSA-N	1	1	403.527	1.988	20	0		HDADMO
COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000032768532	1076243937	/nfs/dbraw/zinc/24/39/37/1076243937.db2.gz	IILDINSSIJRQPO-KRWDZBQOSA-N	1	1	407.511	1.125	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000533827099	1076244744	/nfs/dbraw/zinc/24/47/44/1076244744.db2.gz	NCAVDGSLMGONMH-FQEVSTJZSA-N	1	1	407.518	1.813	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000533827099	1076244750	/nfs/dbraw/zinc/24/47/50/1076244750.db2.gz	NCAVDGSLMGONMH-FQEVSTJZSA-N	1	1	407.518	1.813	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)C1	ZINC000534530670	1076247646	/nfs/dbraw/zinc/24/76/46/1076247646.db2.gz	GVBBWCGFTSYCCI-FQEVSTJZSA-N	1	1	422.533	1.769	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)C1	ZINC000534530670	1076247652	/nfs/dbraw/zinc/24/76/52/1076247652.db2.gz	GVBBWCGFTSYCCI-FQEVSTJZSA-N	1	1	422.533	1.769	20	0		HDADMO
COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1	ZINC000534537475	1076247801	/nfs/dbraw/zinc/24/78/01/1076247801.db2.gz	FHLFKGBELWPIIZ-LJQANCHMSA-N	1	1	403.504	1.528	20	0		HDADMO
COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1	ZINC000534537475	1076247802	/nfs/dbraw/zinc/24/78/02/1076247802.db2.gz	FHLFKGBELWPIIZ-LJQANCHMSA-N	1	1	403.504	1.528	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1	ZINC000534543312	1076248414	/nfs/dbraw/zinc/24/84/14/1076248414.db2.gz	UBCOSQYKWVCJII-KRWDZBQOSA-N	1	1	421.544	1.686	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1	ZINC000534543312	1076248418	/nfs/dbraw/zinc/24/84/18/1076248418.db2.gz	UBCOSQYKWVCJII-KRWDZBQOSA-N	1	1	421.544	1.686	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1	ZINC000534542061	1076248492	/nfs/dbraw/zinc/24/84/92/1076248492.db2.gz	PYKNBSUVSGXWBK-GOSISDBHSA-N	1	1	420.560	1.669	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1	ZINC000534542061	1076248500	/nfs/dbraw/zinc/24/85/00/1076248500.db2.gz	PYKNBSUVSGXWBK-GOSISDBHSA-N	1	1	420.560	1.669	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1	ZINC000535274339	1076250838	/nfs/dbraw/zinc/25/08/38/1076250838.db2.gz	BXQUJGOJFQLVTI-OALUTQOASA-N	1	1	420.469	1.220	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1	ZINC000535274339	1076250839	/nfs/dbraw/zinc/25/08/39/1076250839.db2.gz	BXQUJGOJFQLVTI-OALUTQOASA-N	1	1	420.469	1.220	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000535278026	1076251789	/nfs/dbraw/zinc/25/17/89/1076251789.db2.gz	OUFWGQHSXKZEMA-HXUWFJFHSA-N	1	1	414.531	1.785	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000535278026	1076251791	/nfs/dbraw/zinc/25/17/91/1076251791.db2.gz	OUFWGQHSXKZEMA-HXUWFJFHSA-N	1	1	414.531	1.785	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000144161789	1076253682	/nfs/dbraw/zinc/25/36/82/1076253682.db2.gz	GZITXFOZYFVQLD-ROUUACIJSA-N	1	1	418.538	1.325	20	0		HDADMO
CNC(=O)CC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2	ZINC000727833313	1076264588	/nfs/dbraw/zinc/26/45/88/1076264588.db2.gz	QUUQWYAAKLXIKG-UHFFFAOYSA-N	1	1	410.540	1.010	20	0		HDADMO
CNC(=O)CC[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2	ZINC000727833313	1076264590	/nfs/dbraw/zinc/26/45/90/1076264590.db2.gz	QUUQWYAAKLXIKG-UHFFFAOYSA-N	1	1	410.540	1.010	20	0		HDADMO
CC(C)[N@H+]1CCCN(Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)CC1	ZINC000727823494	1076268002	/nfs/dbraw/zinc/26/80/02/1076268002.db2.gz	KBRRUJSBNIEJET-MRXNPFEDSA-N	1	1	410.588	1.385	20	0		HDADMO
CC(C)[N@H+]1CCCN(Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)CC1	ZINC000727823184	1076268111	/nfs/dbraw/zinc/26/81/11/1076268111.db2.gz	CPHHYZVAAMSWPS-SFHVURJKSA-N	1	1	424.615	1.803	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000727860255	1076274635	/nfs/dbraw/zinc/27/46/35/1076274635.db2.gz	ZPKFHRUJMPZVTL-AWEZNQCLSA-N	1	1	424.548	1.139	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)c2csc(COc3ccc(F)cc3)n2)CC1	ZINC000733974843	1076280082	/nfs/dbraw/zinc/28/00/82/1076280082.db2.gz	DOHANXKIQCKSGN-UHFFFAOYSA-N	1	1	406.483	1.755	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1	ZINC000733975501	1076280381	/nfs/dbraw/zinc/28/03/81/1076280381.db2.gz	ZDDAWLKSHWJZCZ-SFHVURJKSA-N	1	1	404.511	1.533	20	0		HDADMO
COc1ccc(OCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1	ZINC001083148677	1076307184	/nfs/dbraw/zinc/30/71/84/1076307184.db2.gz	AAPLKXHZPAOWEG-CWAYHHJTSA-N	1	1	414.502	1.409	20	0		HDADMO
COc1ccc(OCC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1	ZINC001083148677	1076307190	/nfs/dbraw/zinc/30/71/90/1076307190.db2.gz	AAPLKXHZPAOWEG-CWAYHHJTSA-N	1	1	414.502	1.409	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1	ZINC000734106038	1076308347	/nfs/dbraw/zinc/30/83/47/1076308347.db2.gz	LXXISUTWNXNWSS-GOSISDBHSA-N	1	1	400.504	1.265	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1	ZINC000734106039	1076308512	/nfs/dbraw/zinc/30/85/12/1076308512.db2.gz	LXXISUTWNXNWSS-SFHVURJKSA-N	1	1	400.504	1.265	20	0		HDADMO
Cn1nc(Br)c2c1ncn(C[C@H](O)C[N@H+]1CCc3ccccc3C1)c2=O	ZINC000728066567	1076315515	/nfs/dbraw/zinc/31/55/15/1076315515.db2.gz	RHWPXGYQQVBFOF-CQSZACIVSA-N	1	1	418.295	1.312	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@H](C3OCCO3)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000728053443	1076320353	/nfs/dbraw/zinc/32/03/53/1076320353.db2.gz	KGPDMICSKZXDQR-LPHOPBHVSA-N	1	1	415.490	1.895	20	0		HDADMO
CCOC(=O)C1C(CN2CC[NH+](CC(C)(C)O)CC2)=NC(=O)N[C@H]1c1ccccc1	ZINC000728054544	1076321810	/nfs/dbraw/zinc/32/18/10/1076321810.db2.gz	IOUJDVQUPDULEN-IBGZPJMESA-N	1	1	416.522	1.246	20	0		HDADMO
C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000728054196	1076321997	/nfs/dbraw/zinc/32/19/97/1076321997.db2.gz	WSZZXMCZQUMIOU-KGLIPLIRSA-N	1	1	405.451	1.579	20	0		HDADMO
C[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@H]1CCCO1	ZINC000728055540	1076322572	/nfs/dbraw/zinc/32/25/72/1076322572.db2.gz	UDVCYUHFIHODKC-XKSYAXFZSA-N	1	1	407.536	1.242	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@H]1CCCO1	ZINC000728055540	1076322576	/nfs/dbraw/zinc/32/25/76/1076322576.db2.gz	UDVCYUHFIHODKC-XKSYAXFZSA-N	1	1	407.536	1.242	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)C1	ZINC000728078320	1076334599	/nfs/dbraw/zinc/33/45/99/1076334599.db2.gz	YNYSUBSHWGAQJM-ZDUSSCGKSA-N	1	1	405.499	1.617	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000728134784	1076339697	/nfs/dbraw/zinc/33/96/97/1076339697.db2.gz	LDYKTDWCTNENDF-INIZCTEOSA-N	1	1	406.502	1.982	20	0		HDADMO
COCCOc1ncccc1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000728140509	1076341593	/nfs/dbraw/zinc/34/15/93/1076341593.db2.gz	AXUJSGDAGVSEFT-UHFFFAOYSA-N	1	1	410.434	1.251	20	0		HDADMO
CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1	ZINC000498003956	1076353352	/nfs/dbraw/zinc/35/33/52/1076353352.db2.gz	YUDXYUUKQKKWOA-GJZGRUSLSA-N	1	1	401.385	1.527	20	0		HDADMO
CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1	ZINC000498003956	1076353358	/nfs/dbraw/zinc/35/33/58/1076353358.db2.gz	YUDXYUUKQKKWOA-GJZGRUSLSA-N	1	1	401.385	1.527	20	0		HDADMO
O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2)CC1	ZINC000026188326	1076357286	/nfs/dbraw/zinc/35/72/86/1076357286.db2.gz	XFYVYZZKFNLNFJ-UHFFFAOYSA-N	1	1	406.530	1.789	20	0		HDADMO
C[C@H]1c2cccn2CC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000027368186	1076359528	/nfs/dbraw/zinc/35/95/28/1076359528.db2.gz	UDXJDHYYEBJQGJ-KRWDZBQOSA-N	1	1	405.520	1.965	20	0		HDADMO
C[C@H]1c2cccn2CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000027368186	1076359533	/nfs/dbraw/zinc/35/95/33/1076359533.db2.gz	UDXJDHYYEBJQGJ-KRWDZBQOSA-N	1	1	405.520	1.965	20	0		HDADMO
Cc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc(S(N)(=O)=O)c1C	ZINC000028791494	1076362033	/nfs/dbraw/zinc/36/20/33/1076362033.db2.gz	QYEVLZDLNLSAHK-UHFFFAOYSA-N	1	1	401.532	1.951	20	0		HDADMO
C/C(=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ccc(F)cc1	ZINC000729979512	1076404018	/nfs/dbraw/zinc/40/40/18/1076404018.db2.gz	DTVRKMPWKKRQDD-FBMGVBCBSA-N	1	1	416.541	1.926	20	0		HDADMO
CN(C(=O)/C=C\c1ccccc1F)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729980706	1076404734	/nfs/dbraw/zinc/40/47/34/1076404734.db2.gz	SLVJYSNESBKBBB-FPLPWBNLSA-N	1	1	402.514	1.536	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1	ZINC000729980033	1076404941	/nfs/dbraw/zinc/40/49/41/1076404941.db2.gz	KLRZTZRDRPHSJX-CYBMUJFWSA-N	1	1	403.932	1.431	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1	ZINC000729980036	1076405157	/nfs/dbraw/zinc/40/51/57/1076405157.db2.gz	KLRZTZRDRPHSJX-ZDUSSCGKSA-N	1	1	403.932	1.431	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1	ZINC000730035722	1076413632	/nfs/dbraw/zinc/41/36/32/1076413632.db2.gz	CXQYHMSDJUFYLA-MRXNPFEDSA-N	1	1	419.551	1.860	20	0		HDADMO
CNC(=O)C1(C(=O)OCC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1	ZINC000730043343	1076418494	/nfs/dbraw/zinc/41/84/94/1076418494.db2.gz	HCFSYVWMLLHRNL-UHFFFAOYSA-N	1	1	401.507	1.524	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1	ZINC000730082837	1076430604	/nfs/dbraw/zinc/43/06/04/1076430604.db2.gz	HBIITGUGMIKPLM-UHFFFAOYSA-N	1	1	403.523	1.950	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1	ZINC000730083581	1076431411	/nfs/dbraw/zinc/43/14/11/1076431411.db2.gz	PYFGUNPJRQYJQN-IRXDYDNUSA-N	1	1	415.943	1.262	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)cn1	ZINC000730106094	1076440323	/nfs/dbraw/zinc/44/03/23/1076440323.db2.gz	SSJPPBIVXYJHOQ-UHFFFAOYSA-N	1	1	405.462	1.626	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1	ZINC000730097330	1076451074	/nfs/dbraw/zinc/45/10/74/1076451074.db2.gz	QJMAMFSBINESEV-UHFFFAOYSA-N	1	1	422.533	1.359	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000730159296	1076467221	/nfs/dbraw/zinc/46/72/21/1076467221.db2.gz	VSDCCBYZEGKBHN-MRXNPFEDSA-N	1	1	400.589	1.820	20	0		HDADMO
CS(=O)(=O)c1ccccc1-n1cc(NC(=S)NCCC[NH+]2CCOCC2)cn1	ZINC000730156911	1076470966	/nfs/dbraw/zinc/47/09/66/1076470966.db2.gz	VZAHFMAGUVWEPE-UHFFFAOYSA-N	1	1	423.564	1.285	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC000730217911	1076479639	/nfs/dbraw/zinc/47/96/39/1076479639.db2.gz	ZMCQMOVVTQORDW-MAUKXSAKSA-N	1	1	404.486	1.238	20	0		HDADMO
CC(C)(C)OC(=O)NC1(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCCC1	ZINC000730218900	1076480001	/nfs/dbraw/zinc/48/00/01/1076480001.db2.gz	RXZGGSZSMZGVNI-MRXNPFEDSA-N	1	1	408.543	1.765	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1	ZINC000730219280	1076481262	/nfs/dbraw/zinc/48/12/62/1076481262.db2.gz	YIBSSCRUSBSSPD-PMACEKPBSA-N	1	1	412.534	1.622	20	0		HDADMO
Cc1sc(=O)n(CC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1-c1ccc(F)cc1	ZINC000730227734	1076484612	/nfs/dbraw/zinc/48/46/12/1076484612.db2.gz	ICKUYGDNARNSIN-AWEZNQCLSA-N	1	1	406.527	1.776	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(I)o1	ZINC000730227398	1076484668	/nfs/dbraw/zinc/48/46/68/1076484668.db2.gz	DLOMNLUIQGFWTM-FUEXJSSKSA-N	1	1	403.264	1.650	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000730231348	1076488143	/nfs/dbraw/zinc/48/81/43/1076488143.db2.gz	MPFIUAISYZPZIE-IBGZPJMESA-N	1	1	402.539	1.930	20	0		HDADMO
CCCNC(=O)[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1	ZINC000730252960	1076498578	/nfs/dbraw/zinc/49/85/78/1076498578.db2.gz	OCCYYRBMTSQPJE-VGSWGCGISA-N	1	1	416.522	1.744	20	0		HDADMO
CCCNC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1	ZINC000730252960	1076498580	/nfs/dbraw/zinc/49/85/80/1076498580.db2.gz	OCCYYRBMTSQPJE-VGSWGCGISA-N	1	1	416.522	1.744	20	0		HDADMO
C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000730261347	1076502984	/nfs/dbraw/zinc/50/29/84/1076502984.db2.gz	IBCBEILLLJLMLL-BVZJREFNSA-N	1	1	421.563	1.367	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000730263882	1076504726	/nfs/dbraw/zinc/50/47/26/1076504726.db2.gz	JVXBEODPXISXQJ-HNNXBMFYSA-N	1	1	406.483	1.163	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000730263882	1076504735	/nfs/dbraw/zinc/50/47/35/1076504735.db2.gz	JVXBEODPXISXQJ-HNNXBMFYSA-N	1	1	406.483	1.163	20	0		HDADMO
C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CC(=O)N(c3cnn(C)c3)C2=O)CC1	ZINC000730270608	1076516019	/nfs/dbraw/zinc/51/60/19/1076516019.db2.gz	FAEMKYSNGQVXOF-BBRMVZONSA-N	1	1	405.499	1.677	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)Cc1c(C)[nH]c2nn(C)c(=O)c-2c1C	ZINC000730278884	1076520177	/nfs/dbraw/zinc/52/01/77/1076520177.db2.gz	GDVSFXOSIUBAGM-UHFFFAOYSA-N	1	1	405.462	1.626	20	0		HDADMO
CC(C)[C@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)[NH+]1CCN(C)CC1	ZINC000730385055	1076565795	/nfs/dbraw/zinc/56/57/95/1076565795.db2.gz	MROMSYPWOWGUHU-SFHVURJKSA-N	1	1	416.501	1.338	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+](C[C@H](C)O)C(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000730420293	1076575189	/nfs/dbraw/zinc/57/51/89/1076575189.db2.gz	WWPUAMNDNNWQHH-LIRRHRJNSA-N	1	1	405.495	1.958	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+](C[C@H](C)O)C(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000730420293	1076575197	/nfs/dbraw/zinc/57/51/97/1076575197.db2.gz	WWPUAMNDNNWQHH-LIRRHRJNSA-N	1	1	405.495	1.958	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](C[C@H](C)O)C(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000730420293	1076575204	/nfs/dbraw/zinc/57/52/04/1076575204.db2.gz	WWPUAMNDNNWQHH-LIRRHRJNSA-N	1	1	405.495	1.958	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1	ZINC000730550548	1076600008	/nfs/dbraw/zinc/60/00/08/1076600008.db2.gz	XJNYZMHQHPCBQL-VQIMIIECSA-N	1	1	403.523	1.873	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000730561511	1076603540	/nfs/dbraw/zinc/60/35/40/1076603540.db2.gz	GWTSWJBSNANILY-JSZIULHXSA-N	1	1	409.538	1.608	20	0		HDADMO
CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1	ZINC000730841122	1076670801	/nfs/dbraw/zinc/67/08/01/1076670801.db2.gz	BLOKMKSIHVCBLW-MRXNPFEDSA-N	1	1	419.551	1.860	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1	ZINC000730842388	1076671178	/nfs/dbraw/zinc/67/11/78/1076671178.db2.gz	YOLFLIJNFPGZLU-OAHLLOKOSA-N	1	1	405.524	1.469	20	0		HDADMO
COC(=O)N[C@H](C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)C(C)C	ZINC000730968524	1076703670	/nfs/dbraw/zinc/70/36/70/1076703670.db2.gz	RASZMVVMWJESQG-IBGZPJMESA-N	1	1	419.526	1.216	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN/C=C3\C(=O)NC(=O)c4ccccc43)c2)C1	ZINC000730996166	1076706985	/nfs/dbraw/zinc/70/69/85/1076706985.db2.gz	PAADTRDFOPZOQK-LZAZYHHXSA-N	1	1	418.497	1.785	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN/C=C3/C(=O)NC(=O)c4ccccc43)c2)C1	ZINC000730996163	1076707043	/nfs/dbraw/zinc/70/70/43/1076707043.db2.gz	PAADTRDFOPZOQK-KOMLCTQHSA-N	1	1	418.497	1.785	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cc(N)nc(Cl)c3)c2)C1	ZINC000731008366	1076710017	/nfs/dbraw/zinc/71/00/17/1076710017.db2.gz	FNDYWBKLRNGPSP-HNNXBMFYSA-N	1	1	401.898	1.945	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1	ZINC000731008326	1076710111	/nfs/dbraw/zinc/71/01/11/1076710111.db2.gz	ZFUVIMHVVONCAQ-CYBMUJFWSA-N	1	1	421.535	1.987	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1	ZINC000731034576	1076715167	/nfs/dbraw/zinc/71/51/67/1076715167.db2.gz	VQGWZFPJYCDOHO-ZDUSSCGKSA-N	1	1	409.430	1.577	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCCCN3CCOC3=O)c2)C1	ZINC000731120661	1076725958	/nfs/dbraw/zinc/72/59/58/1076725958.db2.gz	HSOFATGLVXRDEH-GOSISDBHSA-N	1	1	417.510	1.025	20	0		HDADMO
CCOC(=O)N1CCC[C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1	ZINC000731180982	1076745242	/nfs/dbraw/zinc/74/52/42/1076745242.db2.gz	JLKTUFCHUDHQIK-IBGZPJMESA-N	1	1	422.570	1.648	20	0		HDADMO
COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc2ncc(Br)cn2n1	ZINC001197303305	1126154179	/nfs/dbraw/zinc/15/41/79/1126154179.db2.gz	DCGUPVDYRJCZJU-QGZVFWFLSA-N	1	1	406.284	1.979	20	0		HDADMO
CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4[nH]cc(C(=O)OC)c43)CC2)CC1	ZINC001164616355	719028537	/nfs/dbraw/zinc/02/85/37/719028537.db2.gz	BPKMLOAUBKMMII-UHFFFAOYSA-N	1	1	415.494	1.988	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3ccn4C)CC2)C1=O	ZINC001164634727	719271594	/nfs/dbraw/zinc/27/15/94/719271594.db2.gz	MXKCDFDYJRHVKK-UHFFFAOYSA-N	1	1	406.918	1.381	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3ccn4C)CC2)C1=O	ZINC001164634727	719271596	/nfs/dbraw/zinc/27/15/96/719271596.db2.gz	MXKCDFDYJRHVKK-UHFFFAOYSA-N	1	1	406.918	1.381	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1	ZINC001164650236	719312957	/nfs/dbraw/zinc/31/29/57/719312957.db2.gz	VNHAVTHYLVYQIH-UHFFFAOYSA-N	1	1	406.556	1.782	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CC2	ZINC001164652788	719316466	/nfs/dbraw/zinc/31/64/66/719316466.db2.gz	PYIDSTUFVYMQEW-KRWDZBQOSA-N	1	1	412.542	1.332	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)CC2	ZINC001164685677	719736782	/nfs/dbraw/zinc/73/67/82/719736782.db2.gz	MXKABPBAPDTTTR-UHFFFAOYSA-N	1	1	420.945	1.675	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)CC2	ZINC001164689393	719755335	/nfs/dbraw/zinc/75/53/35/719755335.db2.gz	DZUXJASCVVASCV-UHFFFAOYSA-N	1	1	416.309	1.751	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)n1	ZINC001164690625	719759149	/nfs/dbraw/zinc/75/91/49/719759149.db2.gz	GICSBOQOLCRJHD-UHFFFAOYSA-N	1	1	408.934	1.451	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cnccc21	ZINC001164699406	719848960	/nfs/dbraw/zinc/84/89/60/719848960.db2.gz	IJECPPWAARVDGQ-YJYMSZOUSA-N	1	1	405.886	1.911	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(OC)c2ccccc21	ZINC001164706785	719867766	/nfs/dbraw/zinc/86/77/66/719867766.db2.gz	QMDDNULVAHTHQB-QVKFZJNVSA-N	1	1	400.479	1.871	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC	ZINC001164809716	720108161	/nfs/dbraw/zinc/10/81/61/720108161.db2.gz	IKKJTAKXLLISQF-KKSFZXQISA-N	1	1	404.511	1.847	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)ncc1C(N)=O)CCC2	ZINC001164814633	720212642	/nfs/dbraw/zinc/21/26/42/720212642.db2.gz	VMNWQFHPFJSPHQ-UHFFFAOYSA-N	1	1	404.902	1.641	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4sc(C)c(C)c43)C2)C1	ZINC001164716035	720220961	/nfs/dbraw/zinc/22/09/61/720220961.db2.gz	ABLRJVODTHHURH-HXUWFJFHSA-N	1	1	403.552	1.973	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4sc(C)c(C)c43)C2)C1	ZINC001164716035	720220966	/nfs/dbraw/zinc/22/09/66/720220966.db2.gz	ABLRJVODTHHURH-HXUWFJFHSA-N	1	1	403.552	1.973	20	0		HDADMO
CC(C)c1nc(N(C)C)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1	ZINC001164813508	720226550	/nfs/dbraw/zinc/22/65/50/720226550.db2.gz	NIKXAXHOFZOPOQ-UHFFFAOYSA-N	1	1	414.558	1.868	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc(Cl)c1C(N)=O)CCC2	ZINC001164813958	720226614	/nfs/dbraw/zinc/22/66/14/720226614.db2.gz	QEUNQXBCOFLYTJ-UHFFFAOYSA-N	1	1	405.890	1.036	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1	ZINC001164718980	720237622	/nfs/dbraw/zinc/23/76/22/720237622.db2.gz	JTRMPGFAGNNEKR-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1	ZINC001164718980	720237630	/nfs/dbraw/zinc/23/76/30/720237630.db2.gz	JTRMPGFAGNNEKR-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(COC)nc(SC)n3)C2)C1	ZINC001164719713	720245593	/nfs/dbraw/zinc/24/55/93/720245593.db2.gz	OCPQYCJJYBDNSB-IBGZPJMESA-N	1	1	409.556	1.010	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(COC)nc(SC)n3)C2)C1	ZINC001164719713	720245609	/nfs/dbraw/zinc/24/56/09/720245609.db2.gz	OCPQYCJJYBDNSB-IBGZPJMESA-N	1	1	409.556	1.010	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1	ZINC001164719722	720262905	/nfs/dbraw/zinc/26/29/05/720262905.db2.gz	OEWLPKUVKGAUQP-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1	ZINC001164719722	720262922	/nfs/dbraw/zinc/26/29/22/720262922.db2.gz	OEWLPKUVKGAUQP-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccsc4)nn3)C2)C1	ZINC001164724608	720302092	/nfs/dbraw/zinc/30/20/92/720302092.db2.gz	RZXRYLLAKCPFDC-FQEVSTJZSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccsc4)nn3)C2)C1	ZINC001164724608	720302096	/nfs/dbraw/zinc/30/20/96/720302096.db2.gz	RZXRYLLAKCPFDC-FQEVSTJZSA-N	1	1	401.536	1.870	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2n[nH]c(Cl)c3ncnc2-3)CC1	ZINC001164823331	720326276	/nfs/dbraw/zinc/32/62/76/720326276.db2.gz	AOWYVOAGAPRLIA-UONOGXRCSA-N	1	1	403.918	1.918	20	0		HDADMO
c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(N3CCOCC3)nc3c2CCN3)c1	ZINC001164721346	720360724	/nfs/dbraw/zinc/36/07/24/720360724.db2.gz	BTHIJHWJLSNXRT-RTBURBONSA-N	1	1	407.522	1.529	20	0		HDADMO
CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164732860	720430033	/nfs/dbraw/zinc/43/00/33/720430033.db2.gz	ORGCRZYOQXVKEW-MVJQZIEYSA-N	1	1	415.519	1.639	20	0		HDADMO
CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732860	720430042	/nfs/dbraw/zinc/43/00/42/720430042.db2.gz	ORGCRZYOQXVKEW-MVJQZIEYSA-N	1	1	415.519	1.639	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)C(=O)NC2=O	ZINC001164842778	720596097	/nfs/dbraw/zinc/59/60/97/720596097.db2.gz	VMJRHTJPUYQWGT-SOLBZPMBSA-N	1	1	408.506	1.848	20	0		HDADMO
CC(C)(C)OC(=O)Nc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncn1	ZINC001164743080	720642489	/nfs/dbraw/zinc/64/24/89/720642489.db2.gz	OWNMBSJSRQTXHO-CABCVRRESA-N	1	1	413.482	1.956	20	0		HDADMO
CCOC(=O)c1cc(Cl)nnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164745709	720653157	/nfs/dbraw/zinc/65/31/57/720653157.db2.gz	VQNJZOGCPJGLRC-OLZOCXBDSA-N	1	1	404.858	1.439	20	0		HDADMO
CSc1nc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2s1	ZINC001164737211	720733269	/nfs/dbraw/zinc/73/32/69/720733269.db2.gz	AXIASWDSPMUHGM-NWDGAFQWSA-N	1	1	401.521	1.940	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164738908	720744246	/nfs/dbraw/zinc/74/42/46/720744246.db2.gz	GZCWQWRRJJCSPE-CABCVRRESA-N	1	1	423.477	1.277	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH]cc1-2	ZINC001164739009	720749568	/nfs/dbraw/zinc/74/95/68/720749568.db2.gz	HKQABBQDSIDCAJ-LSDHHAIUSA-N	1	1	408.462	1.872	20	0		HDADMO
O=C(NC1CCCC1)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1	ZINC001164737449	720784420	/nfs/dbraw/zinc/78/44/20/720784420.db2.gz	BKCVMYRBNJFAGR-SJORKVTESA-N	1	1	409.494	1.281	20	0		HDADMO
c1nc2c(ncnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1-c1ccccc1	ZINC001164751989	720798337	/nfs/dbraw/zinc/79/83/37/720798337.db2.gz	YIYQFHRCTHKXBP-ROUUACIJSA-N	1	1	414.473	1.947	20	0		HDADMO
COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164751935	720804209	/nfs/dbraw/zinc/80/42/09/720804209.db2.gz	YGUPTZAZVJBMTG-NWDGAFQWSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164751935	720804210	/nfs/dbraw/zinc/80/42/10/720804210.db2.gz	YGUPTZAZVJBMTG-NWDGAFQWSA-N	1	1	412.828	1.815	20	0		HDADMO
CCOC(=O)c1cncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164747842	720808737	/nfs/dbraw/zinc/80/87/37/720808737.db2.gz	POVQQTRFGFTSCU-ZIFCJYIRSA-N	1	1	411.510	1.624	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1Cl	ZINC001164750400	720814076	/nfs/dbraw/zinc/81/40/76/720814076.db2.gz	VMJXEOMXVYHYCP-RVKKMQEKSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164738803	720818417	/nfs/dbraw/zinc/81/84/17/720818417.db2.gz	GUMHVZARXNPVPG-IJEWVQPXSA-N	1	1	416.917	1.200	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164738804	720818470	/nfs/dbraw/zinc/81/84/70/720818470.db2.gz	GUMHVZARXNPVPG-OFQRWUPVSA-N	1	1	416.917	1.200	20	0		HDADMO
NC(=O)c1ncc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164737979	720822789	/nfs/dbraw/zinc/82/27/89/720822789.db2.gz	CVXVEFIYXSPPRL-RBSFLKMASA-N	1	1	416.917	1.200	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)c1	ZINC001164739221	720824081	/nfs/dbraw/zinc/82/40/81/720824081.db2.gz	HUYYWKMVXWTHDB-YQVWRLOYSA-N	1	1	414.485	1.978	20	0		HDADMO
COC(=O)Cc1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164742599	720825437	/nfs/dbraw/zinc/82/54/37/720825437.db2.gz	QBRZVCSSXVMELX-MISYRCLQSA-N	1	1	410.522	1.768	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC[C@H]2C1	ZINC001164857649	720840240	/nfs/dbraw/zinc/84/02/40/720840240.db2.gz	YLEVZXFWRVLAQW-KBPBESRZSA-N	1	1	419.904	1.914	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)CC[C@@H]2C1	ZINC001164853240	720847186	/nfs/dbraw/zinc/84/71/86/720847186.db2.gz	NGJFQXJVPOKGCO-HZPDHXFCSA-N	1	1	407.515	1.997	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cnc4cc(OC)c(OC)cc4n3)CC[C@H]2C1	ZINC001164849250	720852376	/nfs/dbraw/zinc/85/23/76/720852376.db2.gz	BOSXKNJJRHADMB-YWZLYKJASA-N	1	1	402.495	1.821	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC)cc(OC)c43)CC[C@@H]2C1	ZINC001164851571	720859575	/nfs/dbraw/zinc/85/95/75/720859575.db2.gz	BBBZIIXMOAJUKD-DNVCBOLYSA-N	1	1	402.495	1.821	20	0		HDADMO
CCc1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc(N2CCOCC2)n1	ZINC001164853621	720865841	/nfs/dbraw/zinc/86/58/41/720865841.db2.gz	HVICTRNQPZAMRN-MJGOQNOKSA-N	1	1	405.543	1.049	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@@H]2C1	ZINC001164859520	720871432	/nfs/dbraw/zinc/87/14/32/720871432.db2.gz	UFIVYCMOFCUKTM-IUODEOHRSA-N	1	1	418.872	1.552	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4[nH]cc(C(=O)OC)c43)CC[C@H]2C1	ZINC001164862950	720871740	/nfs/dbraw/zinc/87/17/40/720871740.db2.gz	SDOOZHQFMFXVGP-GXTWGEPZSA-N	1	1	423.901	1.571	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(OC)nc(N4CCCCCC4)n3)CC[C@@H]2C1	ZINC001164862096	720873358	/nfs/dbraw/zinc/87/33/58/720873358.db2.gz	QOODMLWPTNZRHJ-MSOLQXFVSA-N	1	1	420.558	1.434	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)CC[C@@H]2C1	ZINC001164855212	720882418	/nfs/dbraw/zinc/88/24/18/720882418.db2.gz	GKYFPTLEIOOVFG-VQIMIIECSA-N	1	1	403.527	1.323	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)CC[C@H]2C1	ZINC001164860081	720887411	/nfs/dbraw/zinc/88/74/11/720887411.db2.gz	ODVMJDRRIMDQJB-UONOGXRCSA-N	1	1	419.904	1.914	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)n2)CC1	ZINC001164760386	721031889	/nfs/dbraw/zinc/03/18/89/721031889.db2.gz	CPGORFJPUGIFQP-REWPJTCUSA-N	1	1	424.549	1.968	20	0		HDADMO
CN1CCN(c2cccc(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)n2)CC1	ZINC001164765808	721041045	/nfs/dbraw/zinc/04/10/45/721041045.db2.gz	PLNRIHTXXAVKBT-UHFFFAOYSA-N	1	1	418.549	1.909	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164871421	721047618	/nfs/dbraw/zinc/04/76/18/721047618.db2.gz	YQOMOAZKHASDKU-HUUCEWRRSA-N	1	1	403.870	1.791	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1	ZINC001164867056	721052169	/nfs/dbraw/zinc/05/21/69/721052169.db2.gz	HDVBQNQHCSURJD-UXHICEINSA-N	1	1	409.538	1.103	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1	ZINC001164867056	721052172	/nfs/dbraw/zinc/05/21/72/721052172.db2.gz	HDVBQNQHCSURJD-UXHICEINSA-N	1	1	409.538	1.103	20	0		HDADMO
COC(=O)Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866862	721073065	/nfs/dbraw/zinc/07/30/65/721073065.db2.gz	GJOSQVVIAXXTFC-CVEARBPZSA-N	1	1	417.897	1.720	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)C[C@@H]3C2)cn1	ZINC001164770966	721094890	/nfs/dbraw/zinc/09/48/90/721094890.db2.gz	QPKTUZHRRHDHRO-HOTGVXAUSA-N	1	1	418.933	1.053	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164773084	721100265	/nfs/dbraw/zinc/10/02/65/721100265.db2.gz	WAPYJYZVIWMYHW-HUUCEWRRSA-N	1	1	417.539	1.462	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164773078	721101166	/nfs/dbraw/zinc/10/11/66/721101166.db2.gz	WAPYJYZVIWMYHW-CABCVRRESA-N	1	1	417.539	1.462	20	0		HDADMO
NC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865121	721101126	/nfs/dbraw/zinc/10/11/26/721101126.db2.gz	IMODBDSSEIZNAJ-STQMWFEESA-N	1	1	423.304	1.757	20	0		HDADMO
COC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12	ZINC001164866641	721104228	/nfs/dbraw/zinc/10/42/28/721104228.db2.gz	UKCAYCILNJCUGG-JKSUJKDBSA-N	1	1	408.462	1.619	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164863544	721108394	/nfs/dbraw/zinc/10/83/94/721108394.db2.gz	CTGZJZCKZXVSKK-ZWKOTPCHSA-N	1	1	417.535	1.255	20	0		HDADMO
O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCNCC1	ZINC001164865343	721110003	/nfs/dbraw/zinc/11/00/03/721110003.db2.gz	KFGJXYFALPEHEK-UXHICEINSA-N	1	1	422.533	1.002	20	0		HDADMO
O=C(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCNCC1	ZINC001164865343	721110013	/nfs/dbraw/zinc/11/00/13/721110013.db2.gz	KFGJXYFALPEHEK-UXHICEINSA-N	1	1	422.533	1.002	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164772225	721160506	/nfs/dbraw/zinc/16/05/06/721160506.db2.gz	UKXBCSRNHHTMRV-SJORKVTESA-N	1	1	404.540	1.072	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164867824	721189054	/nfs/dbraw/zinc/18/90/54/721189054.db2.gz	IIXLULNQAFGNMF-CABCVRRESA-N	1	1	402.886	1.364	20	0		HDADMO
COC(=O)c1cc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164869396	721267231	/nfs/dbraw/zinc/26/72/31/721267231.db2.gz	NIQMTRKZIGYZTB-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)C1	ZINC001164868951	721272680	/nfs/dbraw/zinc/27/26/80/721272680.db2.gz	GUPYPAWKKXUJPL-SFHVURJKSA-N	1	1	414.909	1.870	20	0		HDADMO
CN(C)C(=O)CN1CCOCC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)C1	ZINC001164872142	721284327	/nfs/dbraw/zinc/28/43/27/721284327.db2.gz	AYDAFQRBCLGAMB-UHFFFAOYSA-N	1	1	415.582	1.684	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1OC	ZINC001164890962	721389065	/nfs/dbraw/zinc/38/90/65/721389065.db2.gz	PPWBPSJBPIWIPI-JTSKRJEESA-N	1	1	418.538	1.642	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1	ZINC001164791499	721401795	/nfs/dbraw/zinc/40/17/95/721401795.db2.gz	YVHDPDCRIFIBIP-RYUDHWBXSA-N	1	1	406.537	1.795	20	0		HDADMO
CCOC(=O)c1ncnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C	ZINC001164885785	721417289	/nfs/dbraw/zinc/41/72/89/721417289.db2.gz	HJEYPHDIYDFWKE-XMSQKQJNSA-N	1	1	417.554	1.727	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164891579	721425265	/nfs/dbraw/zinc/42/52/65/721425265.db2.gz	HBNNZJXESRPJEF-DENIHFKCSA-N	1	1	417.554	1.348	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164890267	721426005	/nfs/dbraw/zinc/42/60/05/721426005.db2.gz	CWTBTIRSVMXUNJ-XMSQKQJNSA-N	1	1	417.554	1.480	20	0		HDADMO
O=S(=O)(NC1CC1)c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1	ZINC001164786354	721428044	/nfs/dbraw/zinc/42/80/44/721428044.db2.gz	OMRIVXGHEBKZAW-KBPBESRZSA-N	1	1	405.549	1.547	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)C3)O2)CC1	ZINC001164897626	721429925	/nfs/dbraw/zinc/42/99/25/721429925.db2.gz	UJUKOKZEUCVUQZ-OPAMFIHVSA-N	1	1	414.554	1.472	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ncn5C4CC4)C3)O2)CC1	ZINC001164888668	721437283	/nfs/dbraw/zinc/43/72/83/721437283.db2.gz	ABCKCQOUCGIYBH-PGRDOPGGSA-N	1	1	411.554	1.927	20	0		HDADMO
COc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2c1ccn2C	ZINC001164889149	721448238	/nfs/dbraw/zinc/44/82/38/721448238.db2.gz	NYFHQPGKVWPMDI-VGOFRKELSA-N	1	1	414.554	1.742	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164887093	721451859	/nfs/dbraw/zinc/45/18/59/721451859.db2.gz	IRTPSDGMJKUEEH-YWZLYKJASA-N	1	1	422.961	1.255	20	0		HDADMO
Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1C1C[NH2+]C1	ZINC001164890984	721453637	/nfs/dbraw/zinc/45/36/37/721453637.db2.gz	TXJTYCRSCOIXEQ-SIKLNZKXSA-N	1	1	400.571	1.237	20	0		HDADMO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CCNC3)CC2	ZINC001164788602	721454879	/nfs/dbraw/zinc/45/48/79/721454879.db2.gz	RREITJBAJQPWJL-IBGZPJMESA-N	1	1	415.582	1.856	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CCNC3)CC2	ZINC001164788602	721454880	/nfs/dbraw/zinc/45/48/80/721454880.db2.gz	RREITJBAJQPWJL-IBGZPJMESA-N	1	1	415.582	1.856	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1	ZINC001164899661	721513885	/nfs/dbraw/zinc/51/38/85/721513885.db2.gz	LMCPBFMXANOGRX-QUCCMNQESA-N	1	1	412.513	1.709	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1	ZINC001164899661	721513890	/nfs/dbraw/zinc/51/38/90/721513890.db2.gz	LMCPBFMXANOGRX-QUCCMNQESA-N	1	1	412.513	1.709	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2N1C	ZINC001164803986	721556490	/nfs/dbraw/zinc/55/64/90/721556490.db2.gz	KKLWYTZTWVNDFE-GRGSLBFTSA-N	1	1	423.521	1.517	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2N1C	ZINC001164803986	721556495	/nfs/dbraw/zinc/55/64/95/721556495.db2.gz	KKLWYTZTWVNDFE-GRGSLBFTSA-N	1	1	423.521	1.517	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1	ZINC001164801158	721584256	/nfs/dbraw/zinc/58/42/56/721584256.db2.gz	DSFVADUEKJZOAB-SVFBPWRDSA-N	1	1	411.506	1.978	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164811526	721590891	/nfs/dbraw/zinc/59/08/91/721590891.db2.gz	YAWTYYGFSUPTOR-SOLBZPMBSA-N	1	1	416.913	1.753	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164811526	721590893	/nfs/dbraw/zinc/59/08/93/721590893.db2.gz	YAWTYYGFSUPTOR-SOLBZPMBSA-N	1	1	416.913	1.753	20	0		HDADMO
O=C([C@@H]1C[C@H]2[C@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCOCC1	ZINC001164802742	721595842	/nfs/dbraw/zinc/59/58/42/721595842.db2.gz	UUAYTGPSVMHUOM-BZSNNMDCSA-N	1	1	420.941	1.926	20	0		HDADMO
CCn1cnc2c1ncnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2	ZINC001164913365	721794666	/nfs/dbraw/zinc/79/46/66/721794666.db2.gz	CLVRZKNQXPVJPK-OAQYLSRUSA-N	1	1	409.494	1.349	20	0		HDADMO
CCn1cnc2c1ncnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2	ZINC001164913365	721794667	/nfs/dbraw/zinc/79/46/67/721794667.db2.gz	CLVRZKNQXPVJPK-OAQYLSRUSA-N	1	1	409.494	1.349	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(N)(=O)=O)C[C@H]21	ZINC001165027237	721803175	/nfs/dbraw/zinc/80/31/75/721803175.db2.gz	USJIHMCWEFBNTL-CGTJXYLNSA-N	1	1	401.536	1.861	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(S(N)(=O)=O)n3)C[C@H]21	ZINC001165026261	721831303	/nfs/dbraw/zinc/83/13/03/721831303.db2.gz	OKHSHESBIWJKND-KBAYOESNSA-N	1	1	401.536	1.861	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)CC1	ZINC001164923084	721870960	/nfs/dbraw/zinc/87/09/60/721870960.db2.gz	HYNNTCVRASHSDM-OALUTQOASA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)CC1	ZINC001164923084	721870963	/nfs/dbraw/zinc/87/09/63/721870963.db2.gz	HYNNTCVRASHSDM-OALUTQOASA-N	1	1	416.570	1.471	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C2(C)C)c1C[N@@H+]1CC[C@H](CO)C1	ZINC001165051827	721994908	/nfs/dbraw/zinc/99/49/08/721994908.db2.gz	LTJCRCIMLKDLFT-HNNXBMFYSA-N	1	1	417.554	1.595	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C2(C)C)c1C[N@H+]1CC[C@H](CO)C1	ZINC001165051827	721994911	/nfs/dbraw/zinc/99/49/11/721994911.db2.gz	LTJCRCIMLKDLFT-HNNXBMFYSA-N	1	1	417.554	1.595	20	0		HDADMO
NC(=O)[C@@H]1CCCN1c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncn1	ZINC001164960642	722023612	/nfs/dbraw/zinc/02/36/12/722023612.db2.gz	MABVHCDAXWYMMU-IBGZPJMESA-N	1	1	421.549	1.818	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164963120	722057477	/nfs/dbraw/zinc/05/74/77/722057477.db2.gz	HIPIIYPZHUMBGU-UHFFFAOYSA-N	1	1	416.913	1.743	20	0		HDADMO
Clc1nc(N2CCOCC2)nc(Cl)c1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164968011	722073208	/nfs/dbraw/zinc/07/32/08/722073208.db2.gz	YGNNXOMZWJFRID-OKILXGFUSA-N	1	1	414.337	1.919	20	0		HDADMO
CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]12	ZINC001164985225	722098179	/nfs/dbraw/zinc/09/81/79/722098179.db2.gz	VPSYBSZAAPCFJD-DYXWJJEUSA-N	1	1	421.549	1.774	20	0		HDADMO
c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@@H]3C2)c1	ZINC001164982804	722102991	/nfs/dbraw/zinc/10/29/91/722102991.db2.gz	PDBYXZDMJJFLCC-WOJBJXKFSA-N	1	1	410.522	1.436	20	0		HDADMO
COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164980114	722104246	/nfs/dbraw/zinc/10/42/46/722104246.db2.gz	JPMYNCPRRXVBGR-LPHOPBHVSA-N	1	1	422.489	1.818	20	0		HDADMO
NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164974934	722119670	/nfs/dbraw/zinc/11/96/70/722119670.db2.gz	JCFZAYKNQDANOM-NVXWUHKLSA-N	1	1	401.898	1.956	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164975334	722156294	/nfs/dbraw/zinc/15/62/94/722156294.db2.gz	SNVLZVSZKJOERC-WBVHZDCISA-N	1	1	416.913	1.612	20	0		HDADMO
O=C1CSc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2N1	ZINC001164971753	722156330	/nfs/dbraw/zinc/15/63/30/722156330.db2.gz	FKZPPNCNGPTPLM-CVEARBPZSA-N	1	1	412.519	1.643	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)c(F)cc2C(N)=O)CC3)CC1	ZINC001164996413	722231065	/nfs/dbraw/zinc/23/10/65/722231065.db2.gz	FTHLFICVVIXLOF-UHFFFAOYSA-N	1	1	419.892	1.120	20	0		HDADMO
CC(C)c1nc(N(C)C)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164997860	722235089	/nfs/dbraw/zinc/23/50/89/722235089.db2.gz	XYHORUPOROCYME-UHFFFAOYSA-N	1	1	411.558	1.208	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nccnc2Cl)CC3)CC1	ZINC001165001488	722236728	/nfs/dbraw/zinc/23/67/28/722236728.db2.gz	GZCSKOGFOXHAKW-UHFFFAOYSA-N	1	1	409.872	1.822	20	0		HDADMO
CCOC(=O)Cc1ccnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1	ZINC001165002608	722240096	/nfs/dbraw/zinc/24/00/96/722240096.db2.gz	VZHQVIRGZFZHAS-UHFFFAOYSA-N	1	1	410.522	1.334	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccnc(-c4nccs4)n2)CC3)CC1	ZINC001165005132	722240123	/nfs/dbraw/zinc/24/01/23/722240123.db2.gz	SBSNUAODJBLBRY-UHFFFAOYSA-N	1	1	408.535	1.747	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673634021	1073457382	/nfs/dbraw/zinc/45/73/82/1073457382.db2.gz	ZDEPVGSZQWUYBR-GOSISDBHSA-N	1	1	406.494	1.072	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673634021	1073457393	/nfs/dbraw/zinc/45/73/93/1073457393.db2.gz	ZDEPVGSZQWUYBR-GOSISDBHSA-N	1	1	406.494	1.072	20	0		HDADMO
COc1ccccc1C(=O)N1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000673638112	1073466650	/nfs/dbraw/zinc/46/66/50/1073466650.db2.gz	LZABGLJCPUIKFB-DEOSSOPVSA-N	1	1	423.513	1.617	20	0		HDADMO
Cn1cc(N2CCN(C(=O)Nc3ccccc3C[NH+]3CCSCC3)CC2=O)cn1	ZINC000429061118	1073492549	/nfs/dbraw/zinc/49/25/49/1073492549.db2.gz	FLYSHVHSYJGNIU-UHFFFAOYSA-N	1	1	414.535	1.850	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1	ZINC000429080052	1073523334	/nfs/dbraw/zinc/52/33/34/1073523334.db2.gz	XLOJXYXZBSAWBK-NVXWUHKLSA-N	1	1	400.483	1.303	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1	ZINC000429080054	1073523418	/nfs/dbraw/zinc/52/34/18/1073523418.db2.gz	XLOJXYXZBSAWBK-WBVHZDCISA-N	1	1	400.483	1.303	20	0		HDADMO
CCC[C@@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1=O	ZINC000509101775	1073524935	/nfs/dbraw/zinc/52/49/35/1073524935.db2.gz	AHOKBPIBXRZEOK-JOCHJYFZSA-N	1	1	416.522	1.840	20	0		HDADMO
CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000625179195	1073546593	/nfs/dbraw/zinc/54/65/93/1073546593.db2.gz	MGVFNEHXFJHBCE-FQEVSTJZSA-N	1	1	407.580	1.863	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[C@@H]1O	ZINC000509114610	1073573421	/nfs/dbraw/zinc/57/34/21/1073573421.db2.gz	WYMQCDUTDODMCQ-OCCSQVGLSA-N	1	1	402.358	1.467	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(N(C)CCOC)nc3)C2)no1	ZINC000483184774	1073592437	/nfs/dbraw/zinc/59/24/37/1073592437.db2.gz	XYMZDBRIKKQLNY-SFHVURJKSA-N	1	1	416.526	1.733	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(N(C)CCOC)nc3)C2)no1	ZINC000483184774	1073592460	/nfs/dbraw/zinc/59/24/60/1073592460.db2.gz	XYMZDBRIKKQLNY-SFHVURJKSA-N	1	1	416.526	1.733	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673659219	1073610531	/nfs/dbraw/zinc/61/05/31/1073610531.db2.gz	OOZZEUCUOVFWHS-WIYYLYMNSA-N	1	1	413.566	1.638	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673659219	1073610539	/nfs/dbraw/zinc/61/05/39/1073610539.db2.gz	OOZZEUCUOVFWHS-WIYYLYMNSA-N	1	1	413.566	1.638	20	0		HDADMO
Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCC1	ZINC000673666774	1073620185	/nfs/dbraw/zinc/62/01/85/1073620185.db2.gz	IIXRKOGBNIISPB-MRXNPFEDSA-N	1	1	410.540	1.483	20	0		HDADMO
CN(C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673670022	1073625556	/nfs/dbraw/zinc/62/55/56/1073625556.db2.gz	OIMLDRLBUPUULR-GOTSBHOMSA-N	1	1	414.594	1.904	20	0		HDADMO
O=C(CN[C@H](c1ccccc1)C(F)(F)F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673673629	1073629426	/nfs/dbraw/zinc/62/94/26/1073629426.db2.gz	YBIKZLPEVZGWBK-PKOBYXMFSA-N	1	1	414.472	1.402	20	0		HDADMO
CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673701188	1073643469	/nfs/dbraw/zinc/64/34/69/1073643469.db2.gz	VKVPYEKZDFTPAN-SFHVURJKSA-N	1	1	417.531	1.836	20	0		HDADMO
Cn1cnc2c1c(=O)n(CCCN1CC[C@@H]([N@@H+](C)Cc3ccccc3)C1)c(=O)n2C	ZINC000673716684	1073648761	/nfs/dbraw/zinc/64/87/61/1073648761.db2.gz	YQDAZYBKSKIPKM-GOSISDBHSA-N	1	1	410.522	1.030	20	0		HDADMO
CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC000673716684	1073648767	/nfs/dbraw/zinc/64/87/67/1073648767.db2.gz	YQDAZYBKSKIPKM-GOSISDBHSA-N	1	1	410.522	1.030	20	0		HDADMO
CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC000673716684	1073648771	/nfs/dbraw/zinc/64/87/71/1073648771.db2.gz	YQDAZYBKSKIPKM-GOSISDBHSA-N	1	1	410.522	1.030	20	0		HDADMO
C[C@@]1(C2CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)NC(=O)NC1=O	ZINC000673715189	1073654099	/nfs/dbraw/zinc/65/40/99/1073654099.db2.gz	BPYSFLALUWAQIC-KRWDZBQOSA-N	1	1	406.284	1.907	20	0		HDADMO
COCC[NH+]1CCN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC1	ZINC000429125460	1073703263	/nfs/dbraw/zinc/70/32/63/1073703263.db2.gz	DSIYRBPUNMWLJQ-UHFFFAOYSA-N	1	1	404.511	1.734	20	0		HDADMO
C[C@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@H]1O	ZINC000509143462	1073716537	/nfs/dbraw/zinc/71/65/37/1073716537.db2.gz	ZGRHSGVRHCKDLQ-OXJNMPFZSA-N	1	1	417.531	1.758	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@H]1O	ZINC000509143462	1073716547	/nfs/dbraw/zinc/71/65/47/1073716547.db2.gz	ZGRHSGVRHCKDLQ-OXJNMPFZSA-N	1	1	417.531	1.758	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O	ZINC000673779140	1073735524	/nfs/dbraw/zinc/73/55/24/1073735524.db2.gz	XLYAGEVHMCNUPK-PXNSSMCTSA-N	1	1	410.522	1.831	20	0		HDADMO
CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1	ZINC000673792301	1073737163	/nfs/dbraw/zinc/73/71/63/1073737163.db2.gz	ZNWSKDYQWDEOMF-MOPGFXCFSA-N	1	1	417.506	1.445	20	0		HDADMO
CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1	ZINC000673792301	1073737168	/nfs/dbraw/zinc/73/71/68/1073737168.db2.gz	ZNWSKDYQWDEOMF-MOPGFXCFSA-N	1	1	417.506	1.445	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1	ZINC000429137063	1073750745	/nfs/dbraw/zinc/75/07/45/1073750745.db2.gz	AXPUVJHXHZFUGH-VQIMIIECSA-N	1	1	408.568	1.620	20	0		HDADMO
O=C(Cn1cc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1)NC1CCCC1	ZINC000673810626	1073754820	/nfs/dbraw/zinc/75/48/20/1073754820.db2.gz	XONLOMQSOLGKEZ-GOSISDBHSA-N	1	1	404.515	1.270	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1Cc2ccccc2O[C@@H](C)C1	ZINC000429142473	1073758390	/nfs/dbraw/zinc/75/83/90/1073758390.db2.gz	NUUBODASEFFMSC-HOTGVXAUSA-N	1	1	417.531	1.664	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1	ZINC000429142473	1073758394	/nfs/dbraw/zinc/75/83/94/1073758394.db2.gz	NUUBODASEFFMSC-HOTGVXAUSA-N	1	1	417.531	1.664	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)C1	ZINC000673809644	1073761794	/nfs/dbraw/zinc/76/17/94/1073761794.db2.gz	NHAYMNLUHAKNCK-OAHLLOKOSA-N	1	1	418.519	1.871	20	0		HDADMO
COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c(OC)c2)C1	ZINC000673821347	1073765504	/nfs/dbraw/zinc/76/55/04/1073765504.db2.gz	HVQQLNUWHDOXPN-GFCCVEGCSA-N	1	1	407.330	1.847	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c(OC)c2)C1	ZINC000673821347	1073765512	/nfs/dbraw/zinc/76/55/12/1073765512.db2.gz	HVQQLNUWHDOXPN-GFCCVEGCSA-N	1	1	407.330	1.847	20	0		HDADMO
C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCCCCn2cncn2)CCO1	ZINC001108089887	1073765880	/nfs/dbraw/zinc/76/58/80/1073765880.db2.gz	PLFHNKHXGQEEIU-JJMGOROYSA-N	1	1	403.527	1.079	20	0		HDADMO
CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[NH+](C4CCOCC4)CC3)ccc21	ZINC000673825779	1073771301	/nfs/dbraw/zinc/77/13/01/1073771301.db2.gz	UTHIUVOHLZNTOH-UHFFFAOYSA-N	1	1	407.536	1.471	20	0		HDADMO
Cc1ccc(F)c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1	ZINC001004788894	1073816213	/nfs/dbraw/zinc/81/62/13/1073816213.db2.gz	RGCRRUGSJWOBEJ-TVFZMDHNSA-N	1	1	403.498	1.644	20	0		HDADMO
Cc1ccc(F)c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1	ZINC001004788894	1073816224	/nfs/dbraw/zinc/81/62/24/1073816224.db2.gz	RGCRRUGSJWOBEJ-TVFZMDHNSA-N	1	1	403.498	1.644	20	0		HDADMO
CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000673872333	1073837994	/nfs/dbraw/zinc/83/79/94/1073837994.db2.gz	DUVJQMPJTRIKIC-HNNXBMFYSA-N	1	1	403.527	1.470	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)C(=O)NCc2csc(N(C)C)n2)cc1)[NH+]1CCOCC1	ZINC000673887832	1073847972	/nfs/dbraw/zinc/84/79/72/1073847972.db2.gz	UUAMIFUDJDDDEY-AWEZNQCLSA-N	1	1	417.535	1.857	20	0		HDADMO
CON(C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000766040612	1073853994	/nfs/dbraw/zinc/85/39/94/1073853994.db2.gz	GTYZEOKHXOSYEU-KRWDZBQOSA-N	1	1	403.483	1.090	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1	ZINC000673884352	1073856651	/nfs/dbraw/zinc/85/66/51/1073856651.db2.gz	XGAAJYVJIVBBTJ-VQTJNVASSA-N	1	1	400.523	1.682	20	0		HDADMO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1	ZINC000429164681	1073901950	/nfs/dbraw/zinc/90/19/50/1073901950.db2.gz	XIBRQUJCJJCXNL-BXUZGUMPSA-N	1	1	422.938	1.757	20	0		HDADMO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1	ZINC000429164681	1073901953	/nfs/dbraw/zinc/90/19/53/1073901953.db2.gz	XIBRQUJCJJCXNL-BXUZGUMPSA-N	1	1	422.938	1.757	20	0		HDADMO
Cc1c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000673935787	1073907888	/nfs/dbraw/zinc/90/78/88/1073907888.db2.gz	STWPMLPTSISQIT-IRLDBZIGSA-N	1	1	403.486	1.952	20	0		HDADMO
CCOc1cc(NC2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CC2)ncn1	ZINC000466560945	1073918773	/nfs/dbraw/zinc/91/87/73/1073918773.db2.gz	BRXWCCIXJPTUNS-GOSISDBHSA-N	1	1	420.558	1.818	20	0		HDADMO
CNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1	ZINC000030512763	1073935284	/nfs/dbraw/zinc/93/52/84/1073935284.db2.gz	PEADAWDGMIPWKQ-GOSISDBHSA-N	1	1	409.534	1.943	20	0		HDADMO
C[C@@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@@H]1OCCc2sccc21	ZINC000429176607	1073951488	/nfs/dbraw/zinc/95/14/88/1073951488.db2.gz	YDTZOQYFIPLFDO-XIKOKIGWSA-N	1	1	419.532	1.919	20	0		HDADMO
CO[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC[C@H]1C	ZINC000466566618	1073953393	/nfs/dbraw/zinc/95/33/93/1073953393.db2.gz	KZLLMHSSACUDAI-APWZRJJASA-N	1	1	424.567	1.902	20	0		HDADMO
CO[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC[C@H]1C	ZINC000466566618	1073953400	/nfs/dbraw/zinc/95/34/00/1073953400.db2.gz	KZLLMHSSACUDAI-APWZRJJASA-N	1	1	424.567	1.902	20	0		HDADMO
CCc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n(C)n1	ZINC001005025220	1073970599	/nfs/dbraw/zinc/97/05/99/1073970599.db2.gz	LKZKXTIOCQXDBU-JUSBFGHESA-N	1	1	401.555	1.503	20	0		HDADMO
Cc1ccc([C@H](NC(=O)C[N@H+](CCO)CCN2CCOCC2)c2cccs2)cc1	ZINC000484416333	1073986233	/nfs/dbraw/zinc/98/62/33/1073986233.db2.gz	ZJXGZBKDYFAEKW-QFIPXVFZSA-N	1	1	417.575	1.889	20	0		HDADMO
Cc1ccc([C@H](NC(=O)C[N@@H+](CCO)CCN2CCOCC2)c2cccs2)cc1	ZINC000484416333	1073986238	/nfs/dbraw/zinc/98/62/38/1073986238.db2.gz	ZJXGZBKDYFAEKW-QFIPXVFZSA-N	1	1	417.575	1.889	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O	ZINC000466574818	1073992657	/nfs/dbraw/zinc/99/26/57/1073992657.db2.gz	QFVBPEJCZOJUTJ-MISYRCLQSA-N	1	1	401.555	1.931	20	0		HDADMO
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000509186713	1074001681	/nfs/dbraw/zinc/00/16/81/1074001681.db2.gz	NNEMSECZMWGPOC-OAHLLOKOSA-N	1	1	419.469	1.941	20	0		HDADMO
[NH3+]Cc1ncn(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)n1	ZINC001168750213	1074002825	/nfs/dbraw/zinc/00/28/25/1074002825.db2.gz	KVSCXPBTYFUART-UHFFFAOYSA-N	1	1	412.519	1.764	20	0		HDADMO
CCn1nc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1C1CC1	ZINC000429186518	1074007901	/nfs/dbraw/zinc/00/79/01/1074007901.db2.gz	UZQSHFKRQASXIO-UHFFFAOYSA-N	1	1	402.543	2.188	20	0		HDADMO
COCCOc1ccc(Cl)cc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673990596	1074009995	/nfs/dbraw/zinc/00/99/95/1074009995.db2.gz	JUIZQIYZRTUYLT-KRWDZBQOSA-N	1	1	411.930	1.502	20	0		HDADMO
CC[C@@H]1C[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC(=O)N1	ZINC000543531146	1074022053	/nfs/dbraw/zinc/02/20/53/1074022053.db2.gz	DZPKVQTVRVVDCG-QZTJIDSGSA-N	1	1	400.523	1.637	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)[N@H+]1CCC[C@H](C)C1	ZINC000543534459	1074033161	/nfs/dbraw/zinc/03/31/61/1074033161.db2.gz	MWQWDWJLGMEHIA-HOTGVXAUSA-N	1	1	401.511	1.387	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)NCCc3cn4c(n3)SCC4)cc2)CC1	ZINC000466591368	1074042276	/nfs/dbraw/zinc/04/22/76/1074042276.db2.gz	TUMOUPQOROPLJL-UHFFFAOYSA-N	1	1	414.579	1.778	20	0		HDADMO
O=S(=O)(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc2c1OCO2	ZINC000509195855	1074044780	/nfs/dbraw/zinc/04/47/80/1074044780.db2.gz	LPBAOVSQQPIZHO-IRXDYDNUSA-N	1	1	404.488	1.577	20	0		HDADMO
Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000509197897	1074048630	/nfs/dbraw/zinc/04/86/30/1074048630.db2.gz	SWOVHGOQRFKNQD-AWEZNQCLSA-N	1	1	413.316	1.531	20	0		HDADMO
CC[N@@H+](CCO)CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1	ZINC000470587071	1074050335	/nfs/dbraw/zinc/05/03/35/1074050335.db2.gz	FMPWLBFJSKKQPS-KRWDZBQOSA-N	1	1	404.338	1.797	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000466593034	1074054586	/nfs/dbraw/zinc/05/45/86/1074054586.db2.gz	LOVVDYPJKIOKNS-HXUWFJFHSA-N	1	1	416.570	1.297	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)CC2	ZINC000466600871	1074062554	/nfs/dbraw/zinc/06/25/54/1074062554.db2.gz	YIKVXOXXEMRXCR-FUHWJXTLSA-N	1	1	400.527	1.949	20	0		HDADMO
C[C@@H](NCC(=O)N1CC[NH+](C)CC1)c1nc(-c2ccc(Br)cc2)no1	ZINC000543547724	1074065069	/nfs/dbraw/zinc/06/50/69/1074065069.db2.gz	VJPVZZVARKVESO-GFCCVEGCSA-N	1	1	408.300	1.924	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1	ZINC000466601664	1074066384	/nfs/dbraw/zinc/06/63/84/1074066384.db2.gz	OHLUHUCWWDVJBT-HMXCVIKNSA-N	1	1	414.550	1.632	20	0		HDADMO
COc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1OCC(N)=O	ZINC000059004172	1074089397	/nfs/dbraw/zinc/08/93/97/1074089397.db2.gz	ASXLLQGQXIRURT-UHFFFAOYSA-N	1	1	407.511	1.760	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)NCC(C)(C)S(C)(=O)=O)[C@@H](c2ccccc2)C1	ZINC000674029386	1074097466	/nfs/dbraw/zinc/09/74/66/1074097466.db2.gz	OPYFXBZPQHRNEB-GOSISDBHSA-N	1	1	410.584	1.488	20	0		HDADMO
O=S(=O)(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc2c1OCO2	ZINC000509203845	1074098114	/nfs/dbraw/zinc/09/81/14/1074098114.db2.gz	AZCHVSTXMXTELC-SJORKVTESA-N	1	1	404.488	1.577	20	0		HDADMO
O=S(=O)(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc2c1OCO2	ZINC000509203845	1074098122	/nfs/dbraw/zinc/09/81/22/1074098122.db2.gz	AZCHVSTXMXTELC-SJORKVTESA-N	1	1	404.488	1.577	20	0		HDADMO
O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc2c1OCO2	ZINC000509203842	1074098138	/nfs/dbraw/zinc/09/81/38/1074098138.db2.gz	AZCHVSTXMXTELC-DLBZAZTESA-N	1	1	404.488	1.577	20	0		HDADMO
O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc2c1OCO2	ZINC000509203842	1074098143	/nfs/dbraw/zinc/09/81/43/1074098143.db2.gz	AZCHVSTXMXTELC-DLBZAZTESA-N	1	1	404.488	1.577	20	0		HDADMO
CCOC(=O)[C@H](NCC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CCOCC1	ZINC000543559082	1074102214	/nfs/dbraw/zinc/10/22/14/1074102214.db2.gz	KVHLBJHVAKTIFW-JOCHJYFZSA-N	1	1	417.550	1.587	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)C1	ZINC000674038782	1074109628	/nfs/dbraw/zinc/10/96/28/1074109628.db2.gz	CASYUPSSBSRREI-QGZVFWFLSA-N	1	1	418.513	1.934	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2ccc3c(c2)C(=O)NCC3)c1	ZINC000543564294	1074115186	/nfs/dbraw/zinc/11/51/86/1074115186.db2.gz	PYGBWVTVVGZROV-HXUWFJFHSA-N	1	1	421.501	1.744	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCc2ccc3c(c2)C(=O)NCC3)c1	ZINC000543564294	1074115187	/nfs/dbraw/zinc/11/51/87/1074115187.db2.gz	PYGBWVTVVGZROV-HXUWFJFHSA-N	1	1	421.501	1.744	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@](C)(O)CSc1cccc(F)c1	ZINC000509210757	1074133534	/nfs/dbraw/zinc/13/35/34/1074133534.db2.gz	LKNDFOIERPEAPV-YLJYHZDGSA-N	1	1	411.543	1.728	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](CC)C[C@H]3C)CC2)ncn1	ZINC000674046067	1074139688	/nfs/dbraw/zinc/13/96/88/1074139688.db2.gz	BOWGZPVLANEKRV-APWZRJJASA-N	1	1	416.570	1.313	20	0		HDADMO
C[C@H](Sc1nc(CC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cs1)C(N)=O	ZINC001128613442	1074184444	/nfs/dbraw/zinc/18/44/44/1074184444.db2.gz	CGLYBQTUSKFFBT-STQMWFEESA-N	1	1	412.581	1.363	20	0		HDADMO
C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)[N@H+]1CCc2ccccc2C1	ZINC000670466292	1074184970	/nfs/dbraw/zinc/18/49/70/1074184970.db2.gz	JQDOMFHOIWKCPK-OAHLLOKOSA-N	1	1	402.520	1.110	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1	ZINC000674168483	1074201409	/nfs/dbraw/zinc/20/14/09/1074201409.db2.gz	GCRZWFVANLWZBJ-IEBWSBKVSA-N	1	1	423.583	1.031	20	0		HDADMO
C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000674178067	1074202464	/nfs/dbraw/zinc/20/24/64/1074202464.db2.gz	WBMWQPYUJNVEOY-ZIFCJYIRSA-N	1	1	408.568	1.572	20	0		HDADMO
C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000674178067	1074202466	/nfs/dbraw/zinc/20/24/66/1074202466.db2.gz	WBMWQPYUJNVEOY-ZIFCJYIRSA-N	1	1	408.568	1.572	20	0		HDADMO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCN([C@H]2CCC[C@H]2O)CC1	ZINC000674182565	1074216211	/nfs/dbraw/zinc/21/62/11/1074216211.db2.gz	PXHKGLGVENOPNK-FCHUYYIVSA-N	1	1	416.566	1.384	20	0		HDADMO
C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000674215723	1074228394	/nfs/dbraw/zinc/22/83/94/1074228394.db2.gz	JGVYHJZXYDZKAY-HNAYVOBHSA-N	1	1	412.490	1.406	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)c3cccc(O)c3)cc2)CC1	ZINC000674200471	1074231260	/nfs/dbraw/zinc/23/12/60/1074231260.db2.gz	VOTVQJRESFEVJK-MRXNPFEDSA-N	1	1	424.501	1.986	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)Cc3ccncc3)cc2)CC1	ZINC000674229674	1074235587	/nfs/dbraw/zinc/23/55/87/1074235587.db2.gz	JUYKCKVXPVVUFZ-QGZVFWFLSA-N	1	1	423.517	1.545	20	0		HDADMO
Cc1ccc(NC(=O)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1S(N)(=O)=O	ZINC000674250757	1074243202	/nfs/dbraw/zinc/24/32/02/1074243202.db2.gz	GQBCUQMMWAIALQ-LJQANCHMSA-N	1	1	416.547	1.787	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000674269697	1074250165	/nfs/dbraw/zinc/25/01/65/1074250165.db2.gz	FMGBAIRLNKUFKR-IYBDPMFKSA-N	1	1	405.568	1.759	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000674270936	1074250693	/nfs/dbraw/zinc/25/06/93/1074250693.db2.gz	SDODDMUJHMAYPK-UHFFFAOYSA-N	1	1	414.535	1.466	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000674270597	1074251031	/nfs/dbraw/zinc/25/10/31/1074251031.db2.gz	QIMJMJILQMXBQC-UHFFFAOYSA-N	1	1	419.551	1.145	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C[C@H](O)C1CC1	ZINC000674314414	1074270503	/nfs/dbraw/zinc/27/05/03/1074270503.db2.gz	DDSJEARMZWVBKQ-HNNXBMFYSA-N	1	1	416.385	1.858	20	0		HDADMO
COc1nc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)ncc1Br	ZINC000674329089	1074278123	/nfs/dbraw/zinc/27/81/23/1074278123.db2.gz	WVMXERQUSATNFB-GFCCVEGCSA-N	1	1	413.320	1.174	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)C3Cc4ccccc4C3)cc2)CC1	ZINC000674341494	1074285313	/nfs/dbraw/zinc/28/53/13/1074285313.db2.gz	DTXLZFDTIGBDHZ-UHFFFAOYSA-N	1	1	413.543	1.661	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)[nH]n2)cc1OC	ZINC000674360871	1074292027	/nfs/dbraw/zinc/29/20/27/1074292027.db2.gz	YSRRUIMRNOKRSQ-INIZCTEOSA-N	1	1	413.522	1.992	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)[nH]n2)cc1OC	ZINC000674360871	1074292033	/nfs/dbraw/zinc/29/20/33/1074292033.db2.gz	YSRRUIMRNOKRSQ-INIZCTEOSA-N	1	1	413.522	1.992	20	0		HDADMO
CC(C)CN(C(=O)C[NH2+][C@H](Cn1cccn1)c1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000674372345	1074299926	/nfs/dbraw/zinc/29/99/26/1074299926.db2.gz	ZQCCSKVTGSMYSK-VQTJNVASSA-N	1	1	418.563	1.886	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CCN2C1=O	ZINC000674376978	1074301823	/nfs/dbraw/zinc/30/18/23/1074301823.db2.gz	JDNNXFVYPDFXJQ-IAGOWNOFSA-N	1	1	402.520	1.271	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCSC(C)(C)C3)cc2)CC1	ZINC000674407854	1074311558	/nfs/dbraw/zinc/31/15/58/1074311558.db2.gz	LFZMJNLHLNDWNR-UHFFFAOYSA-N	1	1	418.563	1.757	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1=O	ZINC000674424173	1074325534	/nfs/dbraw/zinc/32/55/34/1074325534.db2.gz	NLKSSXOTFOUFLE-UWJYYQICSA-N	1	1	401.511	1.528	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1=O	ZINC000674437784	1074335983	/nfs/dbraw/zinc/33/59/83/1074335983.db2.gz	DERHMPFTGAURLM-MGPUTAFESA-N	1	1	405.474	1.277	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000674430413	1074342141	/nfs/dbraw/zinc/34/21/41/1074342141.db2.gz	ZOIYFHZDANRJKT-INIZCTEOSA-N	1	1	414.597	1.637	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)CCN2C1=O	ZINC000674471523	1074370138	/nfs/dbraw/zinc/37/01/38/1074370138.db2.gz	GGTFJMQZOOQAHA-GXTWGEPZSA-N	1	1	402.278	1.701	20	0		HDADMO
C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674479498	1074379395	/nfs/dbraw/zinc/37/93/95/1074379395.db2.gz	VBVNNCWWOYTKFF-DLBZAZTESA-N	1	1	415.538	1.092	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)CCN2C1=O	ZINC000674501285	1074394333	/nfs/dbraw/zinc/39/43/33/1074394333.db2.gz	JMYXODKFPMKFPS-CQSZACIVSA-N	1	1	420.466	1.009	20	0		HDADMO
C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCN1CCCS1(=O)=O	ZINC000674495365	1074404211	/nfs/dbraw/zinc/40/42/11/1074404211.db2.gz	JHLUMEJOTILEIW-UHFFFAOYSA-N	1	1	404.330	1.745	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCOC[C@H](C2CCC2)C1	ZINC000429231009	1074414996	/nfs/dbraw/zinc/41/49/96/1074414996.db2.gz	YWXBKTITDULNGC-MAUKXSAKSA-N	1	1	409.552	1.130	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1	ZINC000429232180	1074427945	/nfs/dbraw/zinc/42/79/45/1074427945.db2.gz	AHOUYVPIDIUBKO-UHFFFAOYSA-N	1	1	421.607	1.786	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](C)C(C)(C)COC)CC1	ZINC000429234642	1074452117	/nfs/dbraw/zinc/45/21/17/1074452117.db2.gz	PDLVKFBUYMXYBD-UHFFFAOYSA-N	1	1	404.555	1.689	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1	ZINC000674634242	1074489260	/nfs/dbraw/zinc/48/92/60/1074489260.db2.gz	MATOOMFYYHARIF-AWEZNQCLSA-N	1	1	403.487	1.305	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC(Cc2ccc(F)c(F)c2)C1	ZINC000674630897	1074494886	/nfs/dbraw/zinc/49/48/86/1074494886.db2.gz	JBTSSHRSNKNCOQ-GOSISDBHSA-N	1	1	408.493	1.555	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N(CCO)CCN2CCOCC2)cc1F	ZINC000485353099	1074508397	/nfs/dbraw/zinc/50/83/97/1074508397.db2.gz	REZLUGNKOLULBZ-UHFFFAOYSA-N	1	1	405.474	1.156	20	0		HDADMO
CC1(C)Cc2cc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2O1	ZINC000674675735	1074525904	/nfs/dbraw/zinc/52/59/04/1074525904.db2.gz	JGNOMCXVJOFKCE-QGZVFWFLSA-N	1	1	407.536	1.503	20	0		HDADMO
CC1(C)Cc2cc(S(=O)(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2O1	ZINC000674675735	1074525910	/nfs/dbraw/zinc/52/59/10/1074525910.db2.gz	JGNOMCXVJOFKCE-QGZVFWFLSA-N	1	1	407.536	1.503	20	0		HDADMO
C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1	ZINC001128786970	1074526370	/nfs/dbraw/zinc/52/63/70/1074526370.db2.gz	ZYQDUEQKWYFGDR-HOCLYGCPSA-N	1	1	413.565	1.802	20	0		HDADMO
O=C(NC1CCOCC1)c1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000674697212	1074527184	/nfs/dbraw/zinc/52/71/84/1074527184.db2.gz	NUQAKABXJOYXKB-FQEVSTJZSA-N	1	1	416.522	1.924	20	0		HDADMO
C[NH+]1CCN(CC(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)CC1	ZINC000674755739	1074549437	/nfs/dbraw/zinc/54/94/37/1074549437.db2.gz	YFPBZQZZOXZLNN-UHFFFAOYSA-N	1	1	410.518	1.948	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1	ZINC000674799070	1074561872	/nfs/dbraw/zinc/56/18/72/1074561872.db2.gz	AHUSHTSFQXIDOG-AWEZNQCLSA-N	1	1	412.456	1.720	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1	ZINC000674799070	1074561878	/nfs/dbraw/zinc/56/18/78/1074561878.db2.gz	AHUSHTSFQXIDOG-AWEZNQCLSA-N	1	1	412.456	1.720	20	0		HDADMO
CCN(CC)C(=O)CCC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674787990	1074566813	/nfs/dbraw/zinc/56/68/13/1074566813.db2.gz	NWELYJRUWWEPJV-UHFFFAOYSA-N	1	1	417.554	1.484	20	0		HDADMO
COc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)sc1S(N)(=O)=O	ZINC000674879141	1074600664	/nfs/dbraw/zinc/60/06/64/1074600664.db2.gz	AIZHQAWIUOPOMS-CQSZACIVSA-N	1	1	409.533	1.751	20	0		HDADMO
COc1ccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000670486406	1074605561	/nfs/dbraw/zinc/60/55/61/1074605561.db2.gz	YHQCMEXGDOIBIK-GOSISDBHSA-N	1	1	410.518	1.638	20	0		HDADMO
CC[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)n1nnc(-c2ccc(Cl)cc2)n1	ZINC000674907054	1074614595	/nfs/dbraw/zinc/61/45/95/1074614595.db2.gz	QQLYGZFAKHPNDS-MRXNPFEDSA-N	1	1	419.917	1.177	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC(OCCCO)CC3)CC2)cc1	ZINC000674913392	1074618798	/nfs/dbraw/zinc/61/87/98/1074618798.db2.gz	SOQNESUKRSXZFE-UHFFFAOYSA-N	1	1	403.567	1.893	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1	ZINC000674918248	1074620444	/nfs/dbraw/zinc/62/04/44/1074620444.db2.gz	RVRJLUVBRBZVKP-VQTJNVASSA-N	1	1	416.522	1.164	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000674919858	1074621837	/nfs/dbraw/zinc/62/18/37/1074621837.db2.gz	MBTQVRZRJUNDOV-VQTJNVASSA-N	1	1	406.502	1.537	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000674919859	1074621915	/nfs/dbraw/zinc/62/19/15/1074621915.db2.gz	MBTQVRZRJUNDOV-WOJBJXKFSA-N	1	1	406.502	1.537	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000674927509	1074625566	/nfs/dbraw/zinc/62/55/66/1074625566.db2.gz	KHBLEAHDOYHLKG-HMXCVIKNSA-N	1	1	402.539	1.787	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC000674927512	1074625572	/nfs/dbraw/zinc/62/55/72/1074625572.db2.gz	KHBLEAHDOYHLKG-NRSPTQNISA-N	1	1	402.539	1.787	20	0		HDADMO
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000674935159	1074637834	/nfs/dbraw/zinc/63/78/34/1074637834.db2.gz	VQRKXYWVFZHDSN-VNQPRFMTSA-N	1	1	401.429	1.940	20	0		HDADMO
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000674935159	1074637840	/nfs/dbraw/zinc/63/78/40/1074637840.db2.gz	VQRKXYWVFZHDSN-VNQPRFMTSA-N	1	1	401.429	1.940	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCC(OCCCO)CC3)C2)cc(OC)c1	ZINC000674986082	1074661170	/nfs/dbraw/zinc/66/11/70/1074661170.db2.gz	WAXIRWPPFXQAIT-SFHVURJKSA-N	1	1	421.538	1.851	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCC(OCCCO)CC3)C2)cc(OC)c1	ZINC000674986082	1074661176	/nfs/dbraw/zinc/66/11/76/1074661176.db2.gz	WAXIRWPPFXQAIT-SFHVURJKSA-N	1	1	421.538	1.851	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)CCN2C1=O	ZINC000675083926	1074699428	/nfs/dbraw/zinc/69/94/28/1074699428.db2.gz	DMJIGJXACQTTQS-HZPDHXFCSA-N	1	1	407.902	1.621	20	0		HDADMO
C[C@H](CNC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)C[NH+]1CCOCC1	ZINC000429315282	1074700833	/nfs/dbraw/zinc/70/08/33/1074700833.db2.gz	JBQOGGGMGVTKIU-UYAOXDASSA-N	1	1	402.539	1.488	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O	ZINC000675095519	1074707847	/nfs/dbraw/zinc/70/78/47/1074707847.db2.gz	QEWAQGVMYKXOOX-MOPGFXCFSA-N	1	1	413.522	1.577	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c1	ZINC000509306060	1074708417	/nfs/dbraw/zinc/70/84/17/1074708417.db2.gz	OREZKILXMDFDGW-UHFFFAOYSA-N	1	1	415.581	1.647	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c1	ZINC000509306060	1074708428	/nfs/dbraw/zinc/70/84/28/1074708428.db2.gz	OREZKILXMDFDGW-UHFFFAOYSA-N	1	1	415.581	1.647	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O	ZINC000675096216	1074708610	/nfs/dbraw/zinc/70/86/10/1074708610.db2.gz	VPTDCLFLKWAFNR-RDJZCZTQSA-N	1	1	419.551	1.638	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)nn1[C@@H](C)C1CC1	ZINC000556556128	1074714446	/nfs/dbraw/zinc/71/44/46/1074714446.db2.gz	QSQPSHOGOYGQLI-FXAWDEMLSA-N	1	1	409.534	2.486	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)nn1[C@@H](C)C1CC1	ZINC000556556128	1074714451	/nfs/dbraw/zinc/71/44/51/1074714451.db2.gz	QSQPSHOGOYGQLI-FXAWDEMLSA-N	1	1	409.534	2.486	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nn1[C@@H](C)C1CC1	ZINC000544203227	1074714969	/nfs/dbraw/zinc/71/49/69/1074714969.db2.gz	HYKBCKKOHLYBET-HKUYNNGSSA-N	1	1	416.570	1.730	20	0		HDADMO
CC(C)n1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)n1	ZINC000483581187	1074716315	/nfs/dbraw/zinc/71/63/15/1074716315.db2.gz	MLHIZLRPRQVWMW-UHFFFAOYSA-N	1	1	412.538	1.727	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000466664867	1074717899	/nfs/dbraw/zinc/71/78/99/1074717899.db2.gz	GLSPSRHYDMFEOD-OKILXGFUSA-N	1	1	401.479	1.671	20	0		HDADMO
O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1ccn(-c2ccccc2Cl)n1	ZINC000490467175	1074722201	/nfs/dbraw/zinc/72/22/01/1074722201.db2.gz	AFFKCASUTOCHOF-OAHLLOKOSA-N	1	1	419.913	1.817	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1	ZINC000675107629	1074722491	/nfs/dbraw/zinc/72/24/91/1074722491.db2.gz	XECTXBUFQOBFIS-YDGKCNFYSA-N	1	1	413.522	1.669	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CCN2C1=O	ZINC000675108612	1074723279	/nfs/dbraw/zinc/72/32/79/1074723279.db2.gz	BQAHGTRYTTXRRF-KDOFPFPSSA-N	1	1	410.478	1.920	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccccc1SCC(=O)N1CCCC1	ZINC000675110681	1074724505	/nfs/dbraw/zinc/72/45/05/1074724505.db2.gz	RKBZEIQYQLDHBL-UHFFFAOYSA-N	1	1	418.563	1.247	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)s1	ZINC000467469228	1074727493	/nfs/dbraw/zinc/72/74/93/1074727493.db2.gz	MUBDGHBTCOWWCE-UKRRQHHQSA-N	1	1	403.508	2.428	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1	ZINC000675127028	1074731186	/nfs/dbraw/zinc/73/11/86/1074731186.db2.gz	YSKALNPUPRTBKE-UZLBHIALSA-N	1	1	408.502	1.693	20	0		HDADMO
COc1ccc(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1OC	ZINC000675132728	1074736910	/nfs/dbraw/zinc/73/69/10/1074736910.db2.gz	PMAIARSSYJMIRW-SFHVURJKSA-N	1	1	405.539	1.504	20	0		HDADMO
C[C@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)n1nnnc1C(C)(C)C	ZINC000543615264	1074737653	/nfs/dbraw/zinc/73/76/53/1074737653.db2.gz	VERYGNNHNNCEJK-MRXNPFEDSA-N	1	1	400.531	1.255	20	0		HDADMO
COC(C)(C)CN(C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000675162184	1074745998	/nfs/dbraw/zinc/74/59/98/1074745998.db2.gz	NVVUGFVSEFYHLS-UHFFFAOYSA-N	1	1	405.543	1.786	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000429244697	1074746330	/nfs/dbraw/zinc/74/63/30/1074746330.db2.gz	MCWUCJILUSKGHY-UHFFFAOYSA-N	1	1	401.504	1.015	20	0		HDADMO
COC(=O)c1ccc2c(c1)nc(C)n(C[C@H](O)C[N@H+]1CCc3ccccc3C1)c2=O	ZINC000142680110	1074749580	/nfs/dbraw/zinc/74/95/80/1074749580.db2.gz	WALQVFCKSWYDJX-LJQANCHMSA-N	1	1	407.470	1.911	20	0		HDADMO
O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000670497006	1074756940	/nfs/dbraw/zinc/75/69/40/1074756940.db2.gz	QXSJZQLCQFKWKI-UHFFFAOYSA-N	1	1	414.333	1.975	20	0		HDADMO
CN1CCN(C(=O)c2cc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)ccn2)CC1	ZINC000543616591	1074757704	/nfs/dbraw/zinc/75/77/04/1074757704.db2.gz	KLSSERNMPXCFHO-UHFFFAOYSA-N	1	1	414.554	1.951	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)C1	ZINC000675209568	1074758421	/nfs/dbraw/zinc/75/84/21/1074758421.db2.gz	GAZMFLNIYOHVJY-LJQANCHMSA-N	1	1	410.522	1.108	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1	ZINC000429243986	1074778878	/nfs/dbraw/zinc/77/88/78/1074778878.db2.gz	CYRNMAYIJPWAQW-PBHICJAKSA-N	1	1	407.536	1.360	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1	ZINC000429243986	1074778885	/nfs/dbraw/zinc/77/88/85/1074778885.db2.gz	CYRNMAYIJPWAQW-PBHICJAKSA-N	1	1	407.536	1.360	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	ZINC000675255667	1074779502	/nfs/dbraw/zinc/77/95/02/1074779502.db2.gz	RNEFUHHQTGTTQV-UHFFFAOYSA-N	1	1	423.926	1.715	20	0		HDADMO
CCC(CC)CN(CC)C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434790345	1074781180	/nfs/dbraw/zinc/78/11/80/1074781180.db2.gz	TWGUZSICHOLPOZ-UHFFFAOYSA-N	1	1	416.526	2.570	20	0		HDADMO
CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1	ZINC000466670436	1074794790	/nfs/dbraw/zinc/79/47/90/1074794790.db2.gz	RSPITOLWJFLMSD-ABAIWWIYSA-N	1	1	410.462	1.995	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000581922613	1074797359	/nfs/dbraw/zinc/79/73/59/1074797359.db2.gz	KIWGWKKFFFGVOF-LJQANCHMSA-N	1	1	410.522	2.178	20	0		HDADMO
Cc1cc(NC(=O)C2CCN(C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)no1	ZINC000531933951	1074812995	/nfs/dbraw/zinc/81/29/95/1074812995.db2.gz	HSZBQWGFNQBSQS-ZWKOTPCHSA-N	1	1	419.526	1.987	20	0		HDADMO
C[C@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)CC1(C)OCCO1	ZINC000785482133	1075096883	/nfs/dbraw/zinc/09/68/83/1075096883.db2.gz	UDLUQUFSWRQQKN-KRWDZBQOSA-N	1	1	419.522	1.040	20	0		HDADMO
CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000546585050	1075104729	/nfs/dbraw/zinc/10/47/29/1075104729.db2.gz	FIXQXWFNKHZZMX-GDBMZVCRSA-N	1	1	404.471	2.196	20	0		HDADMO
CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000546585050	1075104731	/nfs/dbraw/zinc/10/47/31/1075104731.db2.gz	FIXQXWFNKHZZMX-GDBMZVCRSA-N	1	1	404.471	2.196	20	0		HDADMO
C[C@H](CNC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)CN1CC[NH+](C)CC1	ZINC000429334983	1075107357	/nfs/dbraw/zinc/10/73/57/1075107357.db2.gz	UULNIUGTMOSMOK-TZIWHRDSSA-N	1	1	415.582	1.403	20	0		HDADMO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1	ZINC000670513003	1075116330	/nfs/dbraw/zinc/11/63/30/1075116330.db2.gz	DHVAHIPNWPGOJH-CQSZACIVSA-N	1	1	415.456	1.668	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1	ZINC000670513003	1075116333	/nfs/dbraw/zinc/11/63/33/1075116333.db2.gz	DHVAHIPNWPGOJH-CQSZACIVSA-N	1	1	415.456	1.668	20	0		HDADMO
CN(C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000675379829	1075119215	/nfs/dbraw/zinc/11/92/15/1075119215.db2.gz	QRNSAMFAKXGBSJ-RHSMWYFYSA-N	1	1	422.888	1.396	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)no1	ZINC000467034149	1075134768	/nfs/dbraw/zinc/13/47/68/1075134768.db2.gz	RBMGLMZBHGLKCG-YOEHRIQHSA-N	1	1	402.520	2.434	20	0		HDADMO
O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C(=O)NC2CC=CC2)ccc1F	ZINC000675411973	1075135926	/nfs/dbraw/zinc/13/59/26/1075135926.db2.gz	BEICWJCHABENCY-UHFFFAOYSA-N	1	1	404.442	1.260	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCN(C)C(=O)[C@@H]3C)cc2)CC1	ZINC000429343881	1075140572	/nfs/dbraw/zinc/14/05/72/1075140572.db2.gz	GMPCNDYPMPMESV-INIZCTEOSA-N	1	1	401.511	1.088	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1	ZINC000444511333	1075147248	/nfs/dbraw/zinc/14/72/48/1075147248.db2.gz	WZWSMIQVXXVHID-MRXNPFEDSA-N	1	1	419.551	1.948	20	0		HDADMO
CN(C)c1nc(CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cs1	ZINC000670525440	1075147552	/nfs/dbraw/zinc/14/75/52/1075147552.db2.gz	RIUOFSGKEVXSMB-OAHLLOKOSA-N	1	1	405.524	1.762	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000496014099	1075147954	/nfs/dbraw/zinc/14/79/54/1075147954.db2.gz	PNUKCTFTLNDOHJ-PKOBYXMFSA-N	1	1	413.522	1.885	20	0		HDADMO
COc1cccc(N2CC[C@H](CNC(=O)C(=O)NC[C@H](c3ccco3)[NH+](C)C)C2)c1	ZINC000670525914	1075149250	/nfs/dbraw/zinc/14/92/50/1075149250.db2.gz	POXABSZHVWVWIU-VQIMIIECSA-N	1	1	414.506	1.650	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCc2cccc(F)c2C1	ZINC000670526934	1075150243	/nfs/dbraw/zinc/15/02/43/1075150243.db2.gz	OZPNEAVVMGMMPR-UHFFFAOYSA-N	1	1	403.498	1.862	20	0		HDADMO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2)C1	ZINC000429253610	1075151029	/nfs/dbraw/zinc/15/10/29/1075151029.db2.gz	BRYUHAIPJUMQAT-IAGOWNOFSA-N	1	1	424.567	1.638	20	0		HDADMO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2)C1	ZINC000429253610	1075151036	/nfs/dbraw/zinc/15/10/36/1075151036.db2.gz	BRYUHAIPJUMQAT-IAGOWNOFSA-N	1	1	424.567	1.638	20	0		HDADMO
CC(C)Oc1ncccc1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000670527065	1075151101	/nfs/dbraw/zinc/15/11/01/1075151101.db2.gz	RKMIEFDLZKZWLO-UHFFFAOYSA-N	1	1	418.538	1.636	20	0		HDADMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1	ZINC000670527114	1075151185	/nfs/dbraw/zinc/15/11/85/1075151185.db2.gz	ZDNZGPAJEFPBKU-OALUTQOASA-N	1	1	406.571	1.080	20	0		HDADMO
CCC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1	ZINC000466679222	1075158390	/nfs/dbraw/zinc/15/83/90/1075158390.db2.gz	JXOREKMNNOKBAD-IBGZPJMESA-N	1	1	414.550	1.980	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1NS(C)(=O)=O	ZINC000675465720	1075161276	/nfs/dbraw/zinc/16/12/76/1075161276.db2.gz	GSBBIKMXZLXNCH-HIFRSBDPSA-N	1	1	415.581	1.887	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1NS(C)(=O)=O	ZINC000675465722	1075161396	/nfs/dbraw/zinc/16/13/96/1075161396.db2.gz	GSBBIKMXZLXNCH-ZFWWWQNUSA-N	1	1	415.581	1.887	20	0		HDADMO
O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000429254304	1075166660	/nfs/dbraw/zinc/16/66/60/1075166660.db2.gz	KDBBRQDFOCIVBS-LJQANCHMSA-N	1	1	421.563	1.268	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C[N@H+]1Cc1ccccc1	ZINC000466681208	1075169025	/nfs/dbraw/zinc/16/90/25/1075169025.db2.gz	NKMOLSVPNWLZKT-NVXWUHKLSA-N	1	1	405.462	1.380	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466681204	1075169098	/nfs/dbraw/zinc/16/90/98/1075169098.db2.gz	NJOLDLMVATZKMX-QFBILLFUSA-N	1	1	421.501	1.934	20	0		HDADMO
COCCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1	ZINC000466680312	1075170411	/nfs/dbraw/zinc/17/04/11/1075170411.db2.gz	RFHBAWRUKQIANT-LPHOPBHVSA-N	1	1	412.490	1.825	20	0		HDADMO
COc1ccc(I)c(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1	ZINC000429350842	1075170797	/nfs/dbraw/zinc/17/07/97/1075170797.db2.gz	CYPSXLGJMAYPRJ-NSHDSACASA-N	1	1	419.263	1.830	20	0		HDADMO
COc1ccc(I)c(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1	ZINC000429350842	1075170799	/nfs/dbraw/zinc/17/07/99/1075170799.db2.gz	CYPSXLGJMAYPRJ-NSHDSACASA-N	1	1	419.263	1.830	20	0		HDADMO
CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429352408	1075171490	/nfs/dbraw/zinc/17/14/90/1075171490.db2.gz	WKKYKNYKJJAJBW-QXAKKESOSA-N	1	1	411.568	1.358	20	0		HDADMO
Cc1cc(NC(=O)NCCCCN2CC[NH+](CCO)CC2)nn1-c1cccc(F)c1	ZINC000537379001	1075172437	/nfs/dbraw/zinc/17/24/37/1075172437.db2.gz	BGGNIOMIELTWCL-UHFFFAOYSA-N	1	1	418.517	1.831	20	0		HDADMO
CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCN(CC)C(=O)C2)c1	ZINC000675500244	1075180329	/nfs/dbraw/zinc/18/03/29/1075180329.db2.gz	BNBJQUMZPHYNLQ-UHFFFAOYSA-N	1	1	402.539	1.616	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC[N@@H+]1CCO	ZINC000429353143	1075181981	/nfs/dbraw/zinc/18/19/81/1075181981.db2.gz	JHTMLABSEMNGLA-OAHLLOKOSA-N	1	1	412.556	1.435	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC[N@H+]1CCO	ZINC000429353143	1075181985	/nfs/dbraw/zinc/18/19/85/1075181985.db2.gz	JHTMLABSEMNGLA-OAHLLOKOSA-N	1	1	412.556	1.435	20	0		HDADMO
Cc1nn(C)c2nc(C)c(CCC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)c(C)c12	ZINC000675519262	1075184677	/nfs/dbraw/zinc/18/46/77/1075184677.db2.gz	WYGNBGGQDMBKEA-UHFFFAOYSA-N	1	1	414.554	1.449	20	0		HDADMO
CC[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500504	1075185914	/nfs/dbraw/zinc/18/59/14/1075185914.db2.gz	VVRJQDDIDKASDI-OTWHNJEPSA-N	1	1	409.552	1.206	20	0		HDADMO
CC[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500504	1075185916	/nfs/dbraw/zinc/18/59/16/1075185916.db2.gz	VVRJQDDIDKASDI-OTWHNJEPSA-N	1	1	409.552	1.206	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)C1	ZINC000032269022	1075195287	/nfs/dbraw/zinc/19/52/87/1075195287.db2.gz	CVZIYFXDKDTEEQ-VQIMIIECSA-N	1	1	401.511	1.220	20	0		HDADMO
Cc1cc(F)ccc1CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000675562578	1075203699	/nfs/dbraw/zinc/20/36/99/1075203699.db2.gz	QCVXWXSOSBTYIF-UHFFFAOYSA-N	1	1	418.557	1.810	20	0		HDADMO
CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@H]1C[N@H+](C)CCO1	ZINC000470191470	1075204914	/nfs/dbraw/zinc/20/49/14/1075204914.db2.gz	WRNYEEAUFCJMEL-OAHLLOKOSA-N	1	1	415.328	1.888	20	0		HDADMO
CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@H]1C[N@@H+](C)CCO1	ZINC000470191470	1075204920	/nfs/dbraw/zinc/20/49/20/1075204920.db2.gz	WRNYEEAUFCJMEL-OAHLLOKOSA-N	1	1	415.328	1.888	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1	ZINC000675576129	1075209900	/nfs/dbraw/zinc/20/99/00/1075209900.db2.gz	GJBKSFMMGDBTQG-IMFGXOCKSA-N	1	1	410.522	1.830	20	0		HDADMO
CN(C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675576859	1075210392	/nfs/dbraw/zinc/21/03/92/1075210392.db2.gz	TUFVSCLZOFCBMS-SVMVAKDDSA-N	1	1	413.522	1.623	20	0		HDADMO
CN(C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675576854	1075210401	/nfs/dbraw/zinc/21/04/01/1075210401.db2.gz	TUFVSCLZOFCBMS-FGSXEWAUSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1nc(Cc2ccccc2)no1	ZINC000429360051	1075210964	/nfs/dbraw/zinc/21/09/64/1075210964.db2.gz	FCHKQIAHZXFCKU-GDBMZVCRSA-N	1	1	400.483	1.360	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675580605	1075212284	/nfs/dbraw/zinc/21/22/84/1075212284.db2.gz	KMQVAOKHNFIJPZ-ZVDOUQERSA-N	1	1	419.614	1.978	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)cc2)CC1	ZINC000675568252	1075217759	/nfs/dbraw/zinc/21/77/59/1075217759.db2.gz	ZVVZZVPJBBORRO-ZWKOTPCHSA-N	1	1	401.511	1.630	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H]3CCCC[C@H]3C(N)=O)cc2)CC1	ZINC000675568249	1075217912	/nfs/dbraw/zinc/21/79/12/1075217912.db2.gz	ZVVZZVPJBBORRO-MSOLQXFVSA-N	1	1	401.511	1.630	20	0		HDADMO
COc1ccc(C(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC	ZINC000675605285	1075221615	/nfs/dbraw/zinc/22/16/15/1075221615.db2.gz	LOIBRRVIRXBTAN-SFHVURJKSA-N	1	1	418.538	1.061	20	0		HDADMO
COc1ccc(C(=O)NCC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC	ZINC000675605285	1075221617	/nfs/dbraw/zinc/22/16/17/1075221617.db2.gz	LOIBRRVIRXBTAN-SFHVURJKSA-N	1	1	418.538	1.061	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)n1	ZINC000426540735	1075225118	/nfs/dbraw/zinc/22/51/18/1075225118.db2.gz	SWENJVVJEFJFFX-SJLPKXTDSA-N	1	1	405.543	2.190	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1	ZINC000564460691	1075232962	/nfs/dbraw/zinc/23/29/62/1075232962.db2.gz	CXQOORHPEDWJJV-UHFFFAOYSA-N	1	1	424.549	1.690	20	0		HDADMO
COc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc(OC)c1Br	ZINC000675620448	1075241022	/nfs/dbraw/zinc/24/10/22/1075241022.db2.gz	ABQGCYDLWVBMRV-UHFFFAOYSA-N	1	1	414.300	1.312	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000675646257	1075247018	/nfs/dbraw/zinc/24/70/18/1075247018.db2.gz	WISSXOUNENSQJC-MOPGFXCFSA-N	1	1	424.567	1.178	20	0		HDADMO
CNS(=O)(=O)c1cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1C	ZINC000429373627	1075256767	/nfs/dbraw/zinc/25/67/67/1075256767.db2.gz	ADHQAPVJDRFUQF-OAHLLOKOSA-N	1	1	408.568	1.648	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)cc2)CC1	ZINC000675706650	1075258565	/nfs/dbraw/zinc/25/85/65/1075258565.db2.gz	YJPJPZHMTKLMTR-INIZCTEOSA-N	1	1	408.449	1.707	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1	ZINC000509364452	1075262639	/nfs/dbraw/zinc/26/26/39/1075262639.db2.gz	JMUFDVPTVPAPKS-UHFFFAOYSA-N	1	1	417.597	1.870	20	0		HDADMO
O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCC[NH+]1Cc2ccccc2C1	ZINC000675753008	1075264403	/nfs/dbraw/zinc/26/44/03/1075264403.db2.gz	CSDVFACARPHANU-UHFFFAOYSA-N	1	1	407.518	1.642	20	0		HDADMO
Cc1cc2cccnc2c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1	ZINC000675760796	1075266488	/nfs/dbraw/zinc/26/64/88/1075266488.db2.gz	WJMZYKGILKLYEU-KRWDZBQOSA-N	1	1	402.520	1.470	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)s1	ZINC000572401696	1075271886	/nfs/dbraw/zinc/27/18/86/1075271886.db2.gz	HBOKFIXLOIKPLD-ZFWWWQNUSA-N	1	1	403.508	2.428	20	0		HDADMO
CS(=O)(=O)N1CCc2c1cccc2NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000543647285	1075280703	/nfs/dbraw/zinc/28/07/03/1075280703.db2.gz	NGNMJXZVFGDJFX-OAHLLOKOSA-N	1	1	410.540	1.367	20	0		HDADMO
C[C@H]1CN(C(=O)Cn2cc(NC(=O)Cn3c[nH+]c4c3CCCC4)cn2)C[C@H](C)O1	ZINC000543646911	1075281007	/nfs/dbraw/zinc/28/10/07/1075281007.db2.gz	LSMJMAWTCXKUOG-GJZGRUSLSA-N	1	1	400.483	1.233	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3ccc4c(C)nn(C)c4n3)n2)c1C	ZINC000447697937	1075281482	/nfs/dbraw/zinc/28/14/82/1075281482.db2.gz	HZAOOOIINGXZIT-UHFFFAOYSA-N	1	1	406.450	2.189	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000675841745	1075281528	/nfs/dbraw/zinc/28/15/28/1075281528.db2.gz	YDMUXOWJBSVOEA-LJQANCHMSA-N	1	1	421.586	1.506	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000675841745	1075281533	/nfs/dbraw/zinc/28/15/33/1075281533.db2.gz	YDMUXOWJBSVOEA-LJQANCHMSA-N	1	1	421.586	1.506	20	0		HDADMO
O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NCC[N@@H+]2CCCOCC2)nc1	ZINC000445663125	1075282541	/nfs/dbraw/zinc/28/25/41/1075282541.db2.gz	WVEDMZWIAWZCRM-UHFFFAOYSA-N	1	1	412.462	2.295	20	0		HDADMO
O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NCC[N@H+]2CCCOCC2)nc1	ZINC000445663125	1075282542	/nfs/dbraw/zinc/28/25/42/1075282542.db2.gz	WVEDMZWIAWZCRM-UHFFFAOYSA-N	1	1	412.462	2.295	20	0		HDADMO
Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)[nH+]c1	ZINC000446741014	1075293587	/nfs/dbraw/zinc/29/35/87/1075293587.db2.gz	JFCHDHUOSVLKMF-UHFFFAOYSA-N	1	1	410.400	1.873	20	0		HDADMO
Cc1ccc(NCCCNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)[nH+]c1	ZINC000479371480	1075300881	/nfs/dbraw/zinc/30/08/81/1075300881.db2.gz	BYROMTKMIMIPAL-UHFFFAOYSA-N	1	1	419.503	1.943	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1c[nH]c2cc(Br)ccc12	ZINC000675940486	1075301415	/nfs/dbraw/zinc/30/14/15/1075301415.db2.gz	DHNWWWZGBBUQMI-UHFFFAOYSA-N	1	1	407.312	1.705	20	0		HDADMO
Cc1ccc(NCCCNC(=O)CNC(=O)c2ccc(Br)s2)[nH+]c1	ZINC000546717108	1075301418	/nfs/dbraw/zinc/30/14/18/1075301418.db2.gz	QYDHGTOZBLXCGD-UHFFFAOYSA-N	1	1	411.325	2.562	20	0		HDADMO
C[N@@H+](CCO)C1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1	ZINC000479119552	1075302575	/nfs/dbraw/zinc/30/25/75/1075302575.db2.gz	FYWAXHXXHCYWLX-UHFFFAOYSA-N	1	1	402.322	1.567	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)[nH+]c1	ZINC000475260456	1075303823	/nfs/dbraw/zinc/30/38/23/1075303823.db2.gz	MEPRLMCQRNYQHH-KRWDZBQOSA-N	1	1	423.525	1.846	20	0		HDADMO
CNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1	ZINC000731295695	1075305509	/nfs/dbraw/zinc/30/55/09/1075305509.db2.gz	JOWPFEMPQDBJGH-INIZCTEOSA-N	1	1	404.492	1.827	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CN3C(=O)NC4(CCCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731296991	1075305994	/nfs/dbraw/zinc/30/59/94/1075305994.db2.gz	ZOLCVBFMVHONTC-INIZCTEOSA-N	1	1	415.494	1.860	20	0		HDADMO
CCOc1ccc(NC(=O)CN2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000675963921	1075310342	/nfs/dbraw/zinc/31/03/42/1075310342.db2.gz	VNISPVKQZUXYNB-GOSISDBHSA-N	1	1	403.527	1.445	20	0		HDADMO
CC(C)N(CCCNC(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1)S(C)(=O)=O	ZINC000675973612	1075316600	/nfs/dbraw/zinc/31/66/00/1075316600.db2.gz	SMJCXRUIGHPVFM-UHFFFAOYSA-N	1	1	412.556	1.170	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(CN3C[C@@H](c4cccc(F)c4)CC3=O)CC2)CC1	ZINC000731355613	1075319423	/nfs/dbraw/zinc/31/94/23/1075319423.db2.gz	CMLFHBZYCIWXOW-FQEVSTJZSA-N	1	1	416.541	1.975	20	0		HDADMO
O=C(NC[C@@H](O)COc1ccccc1Br)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000675994324	1075319692	/nfs/dbraw/zinc/31/96/92/1075319692.db2.gz	AIOWSTGZUSWWIA-HUUCEWRRSA-N	1	1	412.328	1.972	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)CC1	ZINC000731356634	1075319833	/nfs/dbraw/zinc/31/98/33/1075319833.db2.gz	YZXSASUFAFPHSO-UHFFFAOYSA-N	1	1	402.326	1.384	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccc4ncccc43)CC2)CC1	ZINC000731357184	1075319873	/nfs/dbraw/zinc/31/98/73/1075319873.db2.gz	DBHLTOCUOHFLMC-UHFFFAOYSA-N	1	1	416.547	1.800	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429388429	1075325191	/nfs/dbraw/zinc/32/51/91/1075325191.db2.gz	RLKIWAFBLRJSCL-ROUUACIJSA-N	1	1	402.539	1.759	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)cn1	ZINC000731408257	1075332772	/nfs/dbraw/zinc/33/27/72/1075332772.db2.gz	HMEODBKVEIUQNR-JOCHJYFZSA-N	1	1	405.458	1.855	20	0		HDADMO
Cc1noc(C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c2ccccc2)n1	ZINC000429390158	1075333413	/nfs/dbraw/zinc/33/34/13/1075333413.db2.gz	YEYLJKKDQKMXFF-YLJYHZDGSA-N	1	1	403.483	1.044	20	0		HDADMO
C[C@H]1C[C@@H](CCNC(=O)C(=O)NCCOc2cccnc2)C[N@H+]1Cc1ccccc1	ZINC000804078044	1075338333	/nfs/dbraw/zinc/33/83/33/1075338333.db2.gz	UEVMNATTYOJAJG-AZUAARDMSA-N	1	1	410.518	1.994	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1	ZINC000509378433	1075338419	/nfs/dbraw/zinc/33/84/19/1075338419.db2.gz	JRHGHPGNRZZWMK-AZUAARDMSA-N	1	1	423.602	1.118	20	0		HDADMO
Cc1noc(C[C@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2)n1	ZINC000429393930	1075352146	/nfs/dbraw/zinc/35/21/46/1075352146.db2.gz	NRYAZOLLXBLMSB-SFHVURJKSA-N	1	1	414.510	1.467	20	0		HDADMO
C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1	ZINC000676093939	1075353226	/nfs/dbraw/zinc/35/32/26/1075353226.db2.gz	CBZPLBNSWDHYFU-UHFFFAOYSA-N	1	1	422.489	1.853	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1	ZINC000731464142	1075356439	/nfs/dbraw/zinc/35/64/39/1075356439.db2.gz	CQMWMQPBCJMTDY-SFHVURJKSA-N	1	1	406.552	1.645	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466711160	1075357115	/nfs/dbraw/zinc/35/71/15/1075357115.db2.gz	RNFIIVMISOCZNJ-MAUKXSAKSA-N	1	1	405.462	1.380	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676096114	1075358220	/nfs/dbraw/zinc/35/82/20/1075358220.db2.gz	GGLORVAABDAERO-FQEVSTJZSA-N	1	1	404.474	1.987	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676096114	1075358227	/nfs/dbraw/zinc/35/82/27/1075358227.db2.gz	GGLORVAABDAERO-FQEVSTJZSA-N	1	1	404.474	1.987	20	0		HDADMO
CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731530693	1075377044	/nfs/dbraw/zinc/37/70/44/1075377044.db2.gz	IFKYRACDRHFWTJ-WBVHZDCISA-N	1	1	418.494	1.711	20	0		HDADMO
CN(CCOC(C)(C)C)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1	ZINC000676101175	1075382790	/nfs/dbraw/zinc/38/27/90/1075382790.db2.gz	LKTJUGICALGOEP-UHFFFAOYSA-N	1	1	418.538	1.215	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804093436	1075393357	/nfs/dbraw/zinc/39/33/57/1075393357.db2.gz	NTPOAZHGEQSYIZ-BRWVUGGUSA-N	1	1	410.559	1.929	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCOC4(CCOCC4)C3)cc2)CC1	ZINC000676126845	1075396755	/nfs/dbraw/zinc/39/67/55/1075396755.db2.gz	GPUBLUYBKNAZBK-UHFFFAOYSA-N	1	1	416.522	1.878	20	0		HDADMO
Cc1cc(F)cc2c(O)c(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)cnc12	ZINC000676150986	1075400401	/nfs/dbraw/zinc/40/04/01/1075400401.db2.gz	FKQXLZCPAKUBSX-MRXNPFEDSA-N	1	1	402.470	1.112	20	0		HDADMO
O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676151349	1075401571	/nfs/dbraw/zinc/40/15/71/1075401571.db2.gz	LFQBCLDYKWNBRQ-UYAOXDASSA-N	1	1	421.505	1.345	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000731626440	1075419060	/nfs/dbraw/zinc/41/90/60/1075419060.db2.gz	UNUVDIKWYFRQAA-KRWDZBQOSA-N	1	1	415.469	1.044	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000676178807	1075422745	/nfs/dbraw/zinc/42/27/45/1075422745.db2.gz	USAXUFTZKHGEFZ-NRFANRHFSA-N	1	1	407.559	1.021	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000676178807	1075422748	/nfs/dbraw/zinc/42/27/48/1075422748.db2.gz	USAXUFTZKHGEFZ-NRFANRHFSA-N	1	1	407.559	1.021	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000676178807	1075422752	/nfs/dbraw/zinc/42/27/52/1075422752.db2.gz	USAXUFTZKHGEFZ-NRFANRHFSA-N	1	1	407.559	1.021	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000446780738	1075426418	/nfs/dbraw/zinc/42/64/18/1075426418.db2.gz	NJXFQYLDHLNANI-OAHLLOKOSA-N	1	1	402.474	1.890	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1	ZINC000731655197	1075439033	/nfs/dbraw/zinc/43/90/33/1075439033.db2.gz	AWQDJNOWJRQBBD-UHFFFAOYSA-N	1	1	416.551	1.211	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1	ZINC000731655402	1075439053	/nfs/dbraw/zinc/43/90/53/1075439053.db2.gz	JUEWQVBURDUJOR-IBGZPJMESA-N	1	1	418.538	1.921	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C	ZINC000582869912	1075443901	/nfs/dbraw/zinc/44/39/01/1075443901.db2.gz	ONBRUNFKYRHJBG-UHFFFAOYSA-N	1	1	406.575	1.977	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C	ZINC000582869912	1075443903	/nfs/dbraw/zinc/44/39/03/1075443903.db2.gz	ONBRUNFKYRHJBG-UHFFFAOYSA-N	1	1	406.575	1.977	20	0		HDADMO
C[C@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676243205	1075445205	/nfs/dbraw/zinc/44/52/05/1075445205.db2.gz	FJLHUUMUKYYUON-QFBILLFUSA-N	1	1	424.567	1.106	20	0		HDADMO
C[C@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676243205	1075445219	/nfs/dbraw/zinc/44/52/19/1075445219.db2.gz	FJLHUUMUKYYUON-QFBILLFUSA-N	1	1	424.567	1.106	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676243343	1075445876	/nfs/dbraw/zinc/44/58/76/1075445876.db2.gz	GAJNVVXMKGQEOA-ZYSHUDEJSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676243343	1075445878	/nfs/dbraw/zinc/44/58/78/1075445878.db2.gz	GAJNVVXMKGQEOA-ZYSHUDEJSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@H]1C[N@H+](C)CCO1	ZINC000676245287	1075447352	/nfs/dbraw/zinc/44/73/52/1075447352.db2.gz	LADSEWSSMAWPER-WMLDXEAASA-N	1	1	417.535	1.591	20	0		HDADMO
C[C@H](NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@H]1C[N@@H+](C)CCO1	ZINC000676245287	1075447357	/nfs/dbraw/zinc/44/73/57/1075447357.db2.gz	LADSEWSSMAWPER-WMLDXEAASA-N	1	1	417.535	1.591	20	0		HDADMO
CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000731685818	1075448097	/nfs/dbraw/zinc/44/80/97/1075448097.db2.gz	CFECKMLLNATNFR-IBGZPJMESA-N	1	1	408.568	1.069	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257011	1075450951	/nfs/dbraw/zinc/45/09/51/1075450951.db2.gz	WWRLQYVBHLWEBA-YJBOKZPZSA-N	1	1	410.478	1.385	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257011	1075450962	/nfs/dbraw/zinc/45/09/62/1075450962.db2.gz	WWRLQYVBHLWEBA-YJBOKZPZSA-N	1	1	410.478	1.385	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257216	1075452222	/nfs/dbraw/zinc/45/22/22/1075452222.db2.gz	QQUGSLFZFLZUPU-BXWFABGCSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257216	1075452228	/nfs/dbraw/zinc/45/22/28/1075452228.db2.gz	QQUGSLFZFLZUPU-BXWFABGCSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258234	1075453279	/nfs/dbraw/zinc/45/32/79/1075453279.db2.gz	GCWQXELXCWGVMZ-TXPKVOOTSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258234	1075453283	/nfs/dbraw/zinc/45/32/83/1075453283.db2.gz	GCWQXELXCWGVMZ-TXPKVOOTSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258309	1075453845	/nfs/dbraw/zinc/45/38/45/1075453845.db2.gz	HLXSRUUWAKTNEM-JQHSSLGASA-N	1	1	420.579	1.774	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258309	1075453858	/nfs/dbraw/zinc/45/38/58/1075453858.db2.gz	HLXSRUUWAKTNEM-JQHSSLGASA-N	1	1	420.579	1.774	20	0		HDADMO
C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676259105	1075454368	/nfs/dbraw/zinc/45/43/68/1075454368.db2.gz	HNIPEEVVWDGPRI-LRDDRELGSA-N	1	1	423.311	1.384	20	0		HDADMO
C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259105	1075454370	/nfs/dbraw/zinc/45/43/70/1075454370.db2.gz	HNIPEEVVWDGPRI-LRDDRELGSA-N	1	1	423.311	1.384	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259245	1075457788	/nfs/dbraw/zinc/45/77/88/1075457788.db2.gz	SBJXZKNTHADCCC-CLWJZODNSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259245	1075457791	/nfs/dbraw/zinc/45/77/91/1075457791.db2.gz	SBJXZKNTHADCCC-CLWJZODNSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676261125	1075458144	/nfs/dbraw/zinc/45/81/44/1075458144.db2.gz	PZPXHKOJQMNSTR-MAUKXSAKSA-N	1	1	406.552	1.645	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676261125	1075458152	/nfs/dbraw/zinc/45/81/52/1075458152.db2.gz	PZPXHKOJQMNSTR-MAUKXSAKSA-N	1	1	406.552	1.645	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676260810	1075458210	/nfs/dbraw/zinc/45/82/10/1075458210.db2.gz	HWPUFXUUUMZLMT-KHQOZGCUSA-N	1	1	408.543	1.349	20	0		HDADMO
C[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676260810	1075458215	/nfs/dbraw/zinc/45/82/15/1075458215.db2.gz	HWPUFXUUUMZLMT-KHQOZGCUSA-N	1	1	408.543	1.349	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676261129	1075458285	/nfs/dbraw/zinc/45/82/85/1075458285.db2.gz	PZPXHKOJQMNSTR-YJBOKZPZSA-N	1	1	406.552	1.645	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261129	1075458288	/nfs/dbraw/zinc/45/82/88/1075458288.db2.gz	PZPXHKOJQMNSTR-YJBOKZPZSA-N	1	1	406.552	1.645	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000676247347	1075465060	/nfs/dbraw/zinc/46/50/60/1075465060.db2.gz	HWAJVZFSFRANEV-IAGOWNOFSA-N	1	1	400.531	1.370	20	0		HDADMO
Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1C	ZINC000676249023	1075465442	/nfs/dbraw/zinc/46/54/42/1075465442.db2.gz	ZSFGAOXFLTUFHM-QUCCMNQESA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1C	ZINC000676249023	1075465444	/nfs/dbraw/zinc/46/54/44/1075465444.db2.gz	ZSFGAOXFLTUFHM-QUCCMNQESA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1C	ZINC000676249147	1075465491	/nfs/dbraw/zinc/46/54/91/1075465491.db2.gz	FEXXQRRTKKCOPE-MJGOQNOKSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1C	ZINC000676249147	1075465492	/nfs/dbraw/zinc/46/54/92/1075465492.db2.gz	FEXXQRRTKKCOPE-MJGOQNOKSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1cc(NC(=O)CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1Br	ZINC000676249243	1075465964	/nfs/dbraw/zinc/46/59/64/1075465964.db2.gz	MTXYXRNWWPNKCW-IUODEOHRSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1cc(NC(=O)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1Br	ZINC000676249243	1075465966	/nfs/dbraw/zinc/46/59/66/1075465966.db2.gz	MTXYXRNWWPNKCW-IUODEOHRSA-N	1	1	413.316	1.714	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248317	1075466039	/nfs/dbraw/zinc/46/60/39/1075466039.db2.gz	CASFSCKSASTWRD-DOMZBBRYSA-N	1	1	400.321	1.711	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248317	1075466043	/nfs/dbraw/zinc/46/60/43/1075466043.db2.gz	CASFSCKSASTWRD-DOMZBBRYSA-N	1	1	400.321	1.711	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676249261	1075466896	/nfs/dbraw/zinc/46/68/96/1075466896.db2.gz	NFBLPQXFWZZWMJ-MAUKXSAKSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676249261	1075466899	/nfs/dbraw/zinc/46/68/99/1075466899.db2.gz	NFBLPQXFWZZWMJ-MAUKXSAKSA-N	1	1	408.930	1.917	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1	ZINC000731684754	1075469447	/nfs/dbraw/zinc/46/94/47/1075469447.db2.gz	CAWMKIQPSSDGNM-KRWDZBQOSA-N	1	1	416.975	1.933	20	0		HDADMO
C[C@@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676252264	1075469940	/nfs/dbraw/zinc/46/99/40/1075469940.db2.gz	QWXXXAXBYNYGHX-CRAIPNDOSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252264	1075469944	/nfs/dbraw/zinc/46/99/44/1075469944.db2.gz	QWXXXAXBYNYGHX-CRAIPNDOSA-N	1	1	413.540	1.220	20	0		HDADMO
O=C(CN1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1)N1CCc2ccccc21	ZINC000509398314	1075475180	/nfs/dbraw/zinc/47/51/80/1075475180.db2.gz	CWJJRNQUJXTGCL-UHFFFAOYSA-N	1	1	402.502	1.974	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676278118	1075476158	/nfs/dbraw/zinc/47/61/58/1075476158.db2.gz	GAOOEBCDHDLLDV-QFBILLFUSA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278118	1075476164	/nfs/dbraw/zinc/47/61/64/1075476164.db2.gz	GAOOEBCDHDLLDV-QFBILLFUSA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676277923	1075476898	/nfs/dbraw/zinc/47/68/98/1075476898.db2.gz	CCBKMPLPMWGBCK-HNAYVOBHSA-N	1	1	416.522	1.523	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277923	1075476902	/nfs/dbraw/zinc/47/69/02/1075476902.db2.gz	CCBKMPLPMWGBCK-HNAYVOBHSA-N	1	1	416.522	1.523	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1OCC(F)(F)F	ZINC000676277754	1075477042	/nfs/dbraw/zinc/47/70/42/1075477042.db2.gz	ATXNWBHTFSXTOC-IAQYHMDHSA-N	1	1	419.400	1.410	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OCC(F)(F)F	ZINC000676277754	1075477043	/nfs/dbraw/zinc/47/70/43/1075477043.db2.gz	ATXNWBHTFSXTOC-IAQYHMDHSA-N	1	1	419.400	1.410	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(OCC(F)(F)F)c1	ZINC000676279173	1075479271	/nfs/dbraw/zinc/47/92/71/1075479271.db2.gz	ANPOWLOFMAEYMV-SWLSCSKDSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(OCC(F)(F)F)c1	ZINC000676279173	1075479273	/nfs/dbraw/zinc/47/92/73/1075479273.db2.gz	ANPOWLOFMAEYMV-SWLSCSKDSA-N	1	1	403.401	1.710	20	0		HDADMO
CN(C(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000470737439	1075480738	/nfs/dbraw/zinc/48/07/38/1075480738.db2.gz	ONMFEAGSFFNUJX-HXUWFJFHSA-N	1	1	401.555	1.457	20	0		HDADMO
Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1C(=O)N1CCCC1	ZINC000676279265	1075481395	/nfs/dbraw/zinc/48/13/95/1075481395.db2.gz	BRSRFBCUTRONTH-DOTOQJQBSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1C(=O)N1CCCC1	ZINC000676279265	1075481397	/nfs/dbraw/zinc/48/13/97/1075481397.db2.gz	BRSRFBCUTRONTH-DOTOQJQBSA-N	1	1	402.495	1.005	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280084	1075482148	/nfs/dbraw/zinc/48/21/48/1075482148.db2.gz	RETTYLFSMWXOGT-RNCFNFMXSA-N	1	1	400.357	1.620	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280084	1075482154	/nfs/dbraw/zinc/48/21/54/1075482154.db2.gz	RETTYLFSMWXOGT-RNCFNFMXSA-N	1	1	400.357	1.620	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676279402	1075484562	/nfs/dbraw/zinc/48/45/62/1075484562.db2.gz	PCEAYCGFQCKESN-KBXCAEBGSA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279402	1075484565	/nfs/dbraw/zinc/48/45/65/1075484565.db2.gz	PCEAYCGFQCKESN-KBXCAEBGSA-N	1	1	411.462	1.108	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OC1CCOCC1	ZINC000676280850	1075485432	/nfs/dbraw/zinc/48/54/32/1075485432.db2.gz	UDDZOFZNSDMYDJ-KXBFYZLASA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OC1CCOCC1	ZINC000676280850	1075485440	/nfs/dbraw/zinc/48/54/40/1075485440.db2.gz	UDDZOFZNSDMYDJ-KXBFYZLASA-N	1	1	405.495	1.327	20	0		HDADMO
CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676280882	1075486062	/nfs/dbraw/zinc/48/60/62/1075486062.db2.gz	UQMCQBAXXDYULE-XHDPSFHLSA-N	1	1	414.300	1.622	20	0		HDADMO
CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676280882	1075486064	/nfs/dbraw/zinc/48/60/64/1075486064.db2.gz	UQMCQBAXXDYULE-XHDPSFHLSA-N	1	1	414.300	1.622	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)[C@H]1C[N@H+](C)CCO1	ZINC000676281854	1075488296	/nfs/dbraw/zinc/48/82/96/1075488296.db2.gz	XWRGNXZDIDIHHH-CXAGYDPISA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281854	1075488297	/nfs/dbraw/zinc/48/82/97/1075488297.db2.gz	XWRGNXZDIDIHHH-CXAGYDPISA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CN(C)CCO1	ZINC000676281280	1075489246	/nfs/dbraw/zinc/48/92/46/1075489246.db2.gz	VQLLIKVQWKTJGD-FUHIMQAGSA-N	1	1	402.539	1.692	20	0		HDADMO
Cc1c(NCc2cnc(N3CC[NH+](C)CC3)nc2)ccc(F)c1N1C(=O)CNC1=O	ZINC000509398929	1075493440	/nfs/dbraw/zinc/49/34/40/1075493440.db2.gz	DVYFHBLZTDTVEI-UHFFFAOYSA-N	1	1	413.457	1.344	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307374	1075493577	/nfs/dbraw/zinc/49/35/77/1075493577.db2.gz	PENNBAIZSVIVLO-GUYCJALGSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307374	1075493580	/nfs/dbraw/zinc/49/35/80/1075493580.db2.gz	PENNBAIZSVIVLO-GUYCJALGSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1	ZINC000676296457	1075499720	/nfs/dbraw/zinc/49/97/20/1075499720.db2.gz	AOODTRSDIBNUHS-UYAOXDASSA-N	1	1	401.555	1.455	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1C[N@H+](C)CCO1	ZINC000676303987	1075501850	/nfs/dbraw/zinc/50/18/50/1075501850.db2.gz	IOCRODKGRVFPSN-SLEUVZQESA-N	1	1	406.310	1.751	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1C[N@@H+](C)CCO1	ZINC000676303987	1075501859	/nfs/dbraw/zinc/50/18/59/1075501859.db2.gz	IOCRODKGRVFPSN-SLEUVZQESA-N	1	1	406.310	1.751	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676305550	1075503432	/nfs/dbraw/zinc/50/34/32/1075503432.db2.gz	QHWHZVAYMDZEBF-DUVNUKRYSA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676305550	1075503435	/nfs/dbraw/zinc/50/34/35/1075503435.db2.gz	QHWHZVAYMDZEBF-DUVNUKRYSA-N	1	1	405.417	1.463	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc(OC)c1	ZINC000676307167	1075503898	/nfs/dbraw/zinc/50/38/98/1075503898.db2.gz	ZBGDSHNYFJEJRR-OXJNMPFZSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc(OC)c1	ZINC000676307167	1075503901	/nfs/dbraw/zinc/50/39/01/1075503901.db2.gz	ZBGDSHNYFJEJRR-OXJNMPFZSA-N	1	1	406.527	1.250	20	0		HDADMO
C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H]1C[N@H+](C)CCO1	ZINC000676306404	1075504704	/nfs/dbraw/zinc/50/47/04/1075504704.db2.gz	UKBQNXSURVFOQY-LRDDRELGSA-N	1	1	418.307	1.811	20	0		HDADMO
C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306404	1075504707	/nfs/dbraw/zinc/50/47/07/1075504707.db2.gz	UKBQNXSURVFOQY-LRDDRELGSA-N	1	1	418.307	1.811	20	0		HDADMO
C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H]1C[N@H+](C)CCO1	ZINC000676306405	1075504797	/nfs/dbraw/zinc/50/47/97/1075504797.db2.gz	UKBQNXSURVFOQY-MLGOLLRUSA-N	1	1	418.307	1.811	20	0		HDADMO
C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H]1C[N@@H+](C)CCO1	ZINC000676306405	1075504801	/nfs/dbraw/zinc/50/48/01/1075504801.db2.gz	UKBQNXSURVFOQY-MLGOLLRUSA-N	1	1	418.307	1.811	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNc2nc(N3CCOCC3)cc[nH+]2)cc1	ZINC000676307991	1075505318	/nfs/dbraw/zinc/50/53/18/1075505318.db2.gz	JJSBIJAVWKTEDM-UHFFFAOYSA-N	1	1	405.524	1.954	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676334487	1075510582	/nfs/dbraw/zinc/51/05/82/1075510582.db2.gz	XKRITRKXUDPXDX-VQIMIIECSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676334487	1075510586	/nfs/dbraw/zinc/51/05/86/1075510586.db2.gz	XKRITRKXUDPXDX-VQIMIIECSA-N	1	1	409.552	1.556	20	0		HDADMO
Cn1cc(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)CC2=O)cn1	ZINC000429423347	1075512100	/nfs/dbraw/zinc/51/21/00/1075512100.db2.gz	AKZPREAONJPXCM-KXBFYZLASA-N	1	1	416.551	1.923	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1	ZINC000731755711	1075512591	/nfs/dbraw/zinc/51/25/91/1075512591.db2.gz	AXRWMIBLCKKZSC-KRWDZBQOSA-N	1	1	410.453	1.858	20	0		HDADMO
C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc2c(c1)CC(=O)N2C	ZINC000731758083	1075513594	/nfs/dbraw/zinc/51/35/94/1075513594.db2.gz	GFTMARHJLXETOS-AWEZNQCLSA-N	1	1	401.511	1.118	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1	ZINC000731761846	1075517068	/nfs/dbraw/zinc/51/70/68/1075517068.db2.gz	JOBXKWCVKSPTRQ-UHFFFAOYSA-N	1	1	403.483	1.313	20	0		HDADMO
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676346618	1075519851	/nfs/dbraw/zinc/51/98/51/1075519851.db2.gz	BWSOXXJNTCUTBK-QZWWFDLISA-N	1	1	412.575	1.048	20	0		HDADMO
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676346618	1075519852	/nfs/dbraw/zinc/51/98/52/1075519852.db2.gz	BWSOXXJNTCUTBK-QZWWFDLISA-N	1	1	412.575	1.048	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c1	ZINC000676332193	1075521690	/nfs/dbraw/zinc/52/16/90/1075521690.db2.gz	FSBITHYAEGFJBK-UHFFFAOYSA-N	1	1	411.506	1.658	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1	ZINC000731827273	1075525327	/nfs/dbraw/zinc/52/53/27/1075525327.db2.gz	VXWWAFQQMGGRFL-UYPHOHSBSA-N	1	1	408.462	1.456	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1	ZINC000731826831	1075525614	/nfs/dbraw/zinc/52/56/14/1075525614.db2.gz	MBFCZAITJGXHJY-YZIPPPLESA-N	1	1	421.563	1.224	20	0		HDADMO
CN(C)C(=O)c1cc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccn1	ZINC000429428700	1075527260	/nfs/dbraw/zinc/52/72/60/1075527260.db2.gz	UPRMAPZYCHPDOZ-QFIPXVFZSA-N	1	1	411.506	1.884	20	0		HDADMO
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731846875	1075531316	/nfs/dbraw/zinc/53/13/16/1075531316.db2.gz	QOLLIAQMVXUNNO-OAHLLOKOSA-N	1	1	407.946	1.938	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)C1	ZINC000676359548	1075532870	/nfs/dbraw/zinc/53/28/70/1075532870.db2.gz	RFLQRGQJVCYHQB-HZPDHXFCSA-N	1	1	400.479	1.035	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)C1	ZINC000676359448	1075533193	/nfs/dbraw/zinc/53/31/93/1075533193.db2.gz	RFLQRGQJVCYHQB-CVEARBPZSA-N	1	1	400.479	1.035	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1	ZINC000731850762	1075533980	/nfs/dbraw/zinc/53/39/80/1075533980.db2.gz	OJJXLQOKAROXPY-QGZVFWFLSA-N	1	1	401.504	1.969	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC1	ZINC000731853469	1075534694	/nfs/dbraw/zinc/53/46/94/1075534694.db2.gz	FMGFLZSEQAXOGU-QGZVFWFLSA-N	1	1	418.604	1.285	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC1	ZINC000731853469	1075534698	/nfs/dbraw/zinc/53/46/98/1075534698.db2.gz	FMGFLZSEQAXOGU-QGZVFWFLSA-N	1	1	418.604	1.285	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC[N@@H+]1CCO	ZINC000429434564	1075535889	/nfs/dbraw/zinc/53/58/89/1075535889.db2.gz	SJKNCZYGIIRIFD-QAPCUYQASA-N	1	1	405.499	1.517	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC[N@H+]1CCO	ZINC000429434564	1075535892	/nfs/dbraw/zinc/53/58/92/1075535892.db2.gz	SJKNCZYGIIRIFD-QAPCUYQASA-N	1	1	405.499	1.517	20	0		HDADMO
CC(C)C[N@@H+]1CCO[C@H](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804143361	1075542751	/nfs/dbraw/zinc/54/27/51/1075542751.db2.gz	ANTSKUWETSBEAD-OXJNMPFZSA-N	1	1	423.535	1.214	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804143361	1075542756	/nfs/dbraw/zinc/54/27/56/1075542756.db2.gz	ANTSKUWETSBEAD-OXJNMPFZSA-N	1	1	423.535	1.214	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cnn1-c1cc(C)ccc1C	ZINC000676426248	1075546421	/nfs/dbraw/zinc/54/64/21/1075546421.db2.gz	HVNWNTZCELHQRA-HXUWFJFHSA-N	1	1	411.550	1.934	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(N2C(=O)N[C@@H](Cc3cccc(Cl)c3)C2=O)CC1	ZINC000804145231	1075546744	/nfs/dbraw/zinc/54/67/44/1075546744.db2.gz	AYUXGXVFJQYNSK-KRWDZBQOSA-N	1	1	406.914	1.794	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1	ZINC000731843372	1075547382	/nfs/dbraw/zinc/54/73/82/1075547382.db2.gz	RDBMYQAIBREEGZ-LJQANCHMSA-N	1	1	413.566	1.619	20	0		HDADMO
CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NCCCNc2ccc(C)c[nH+]2)s1	ZINC000569274239	1075547892	/nfs/dbraw/zinc/54/78/92/1075547892.db2.gz	FYUWFWHPEBBBLP-KGLIPLIRSA-N	1	1	419.555	2.568	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1	ZINC000731872919	1075548947	/nfs/dbraw/zinc/54/89/47/1075548947.db2.gz	HQPSPYITHHJXMS-CQSZACIVSA-N	1	1	416.975	1.346	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000731873750	1075548972	/nfs/dbraw/zinc/54/89/72/1075548972.db2.gz	ZYPJRDXHBFZIQG-FCHUYYIVSA-N	1	1	424.545	1.886	20	0		HDADMO
COc1ccc(-c2nc(C[NH2+][C@H]3CC(=O)N(CCN4CCOCC4)C3)cs2)cc1	ZINC000676419148	1075548948	/nfs/dbraw/zinc/54/89/48/1075548948.db2.gz	RRVKISJJDOILSP-KRWDZBQOSA-N	1	1	416.547	1.841	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676457864	1075554246	/nfs/dbraw/zinc/55/42/46/1075554246.db2.gz	XZXJVKGVDZZCLG-OALUTQOASA-N	1	1	411.506	1.906	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)N(C)CCC[NH+]2CCN(C)CC2)c1	ZINC000731885350	1075555151	/nfs/dbraw/zinc/55/51/51/1075555151.db2.gz	PBGDAGNKNNGATE-UHFFFAOYSA-N	1	1	402.568	1.638	20	0		HDADMO
C[C@H](c1cc(F)ccc1N1CC[NH+](C)CC1)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O	ZINC000804154301	1075555503	/nfs/dbraw/zinc/55/55/03/1075555503.db2.gz	RIOJBMQDMXFTPN-DYVFJYSZSA-N	1	1	400.458	1.525	20	0		HDADMO
O=C(NCCCn1cncn1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676451734	1075557844	/nfs/dbraw/zinc/55/78/44/1075557844.db2.gz	RAHIUOQEPQHYJR-GOSISDBHSA-N	1	1	422.493	1.067	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C1	ZINC000676452518	1075558702	/nfs/dbraw/zinc/55/87/02/1075558702.db2.gz	CKDIZXVNIMWXEF-CTNGQTDRSA-N	1	1	420.513	1.962	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1	ZINC000731870530	1075559665	/nfs/dbraw/zinc/55/96/65/1075559665.db2.gz	ORKOXBKWIOIXEK-UHFFFAOYSA-N	1	1	421.567	1.908	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1	ZINC000731899989	1075562822	/nfs/dbraw/zinc/56/28/22/1075562822.db2.gz	ZXSZRQWPOGYNDG-HNNXBMFYSA-N	1	1	400.501	1.101	20	0		HDADMO
COc1ccccc1C1(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCC1	ZINC000676474274	1075563880	/nfs/dbraw/zinc/56/38/80/1075563880.db2.gz	LMLUUXNCEALTLX-KRWDZBQOSA-N	1	1	417.550	1.537	20	0		HDADMO
COc1ccccc1C1(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCC1	ZINC000676474274	1075563883	/nfs/dbraw/zinc/56/38/83/1075563883.db2.gz	LMLUUXNCEALTLX-KRWDZBQOSA-N	1	1	417.550	1.537	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](n2ccnc2)C1	ZINC000676478726	1075566036	/nfs/dbraw/zinc/56/60/36/1075566036.db2.gz	OTNLCCYQFYXRPV-UXLLHSPISA-N	1	1	405.524	1.433	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1nc2ccccc2s1	ZINC000804162955	1075566941	/nfs/dbraw/zinc/56/69/41/1075566941.db2.gz	XRUQPCXGVYGXOV-LSDHHAIUSA-N	1	1	402.520	1.654	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1nc2ccccc2s1	ZINC000804162953	1075567019	/nfs/dbraw/zinc/56/70/19/1075567019.db2.gz	XRUQPCXGVYGXOV-GJZGRUSLSA-N	1	1	402.520	1.654	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2s1	ZINC000804163698	1075567778	/nfs/dbraw/zinc/56/77/78/1075567778.db2.gz	CXRCHMDMEYBKRM-AWEZNQCLSA-N	1	1	403.552	1.616	20	0		HDADMO
CCn1c(N)c(C(=O)C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O	ZINC000676485279	1075567811	/nfs/dbraw/zinc/56/78/11/1075567811.db2.gz	FLALCEOEQHUISW-KRWDZBQOSA-N	1	1	414.384	1.250	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O	ZINC000676502310	1075570263	/nfs/dbraw/zinc/57/02/63/1075570263.db2.gz	ZCLJRYOVQZXRFE-KJOVKWNASA-N	1	1	403.527	1.365	20	0		HDADMO
COc1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1F	ZINC000731961336	1075576887	/nfs/dbraw/zinc/57/68/87/1075576887.db2.gz	JEYLLSLMUDVLHX-IBGZPJMESA-N	1	1	407.486	1.506	20	0		HDADMO
COc1ccc2c(c1)CCCN2C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000731964281	1075578094	/nfs/dbraw/zinc/57/80/94/1075578094.db2.gz	FYCSNOTWONRFFV-HXUWFJFHSA-N	1	1	401.507	1.688	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C	ZINC000731967515	1075578619	/nfs/dbraw/zinc/57/86/19/1075578619.db2.gz	XCORKFPHLNIGHI-LJQANCHMSA-N	1	1	402.495	1.605	20	0		HDADMO
CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@]3(C)CCCS3(=O)=O)CC2)cc1	ZINC001273246763	1075579693	/nfs/dbraw/zinc/57/96/93/1075579693.db2.gz	GRYXMCDQQZFJGX-HXUWFJFHSA-N	1	1	407.536	1.693	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)/C=C/c2cncc(C(=O)NC)c2)CC1	ZINC000731971438	1075579936	/nfs/dbraw/zinc/57/99/36/1075579936.db2.gz	AZOVVOYGDHXKHU-CMDGGOBGSA-N	1	1	421.545	1.908	20	0		HDADMO
CS(=O)(=O)NC1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1	ZINC000676541881	1075580257	/nfs/dbraw/zinc/58/02/57/1075580257.db2.gz	UUYKNLIRNSYFIF-SJLPKXTDSA-N	1	1	412.600	1.897	20	0		HDADMO
COC(=O)Nc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1	ZINC000731976473	1075581677	/nfs/dbraw/zinc/58/16/77/1075581677.db2.gz	YHVJXGZTEMMNJM-QGZVFWFLSA-N	1	1	404.467	1.517	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000731978042	1075582309	/nfs/dbraw/zinc/58/23/09/1075582309.db2.gz	JLQKOYVMYLOWJH-FPYGCLRLSA-N	1	1	407.474	1.481	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)C1	ZINC000676551122	1075584229	/nfs/dbraw/zinc/58/42/29/1075584229.db2.gz	JYLHOXMCDGCNCF-HXUWFJFHSA-N	1	1	418.501	1.998	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446851404	1075586798	/nfs/dbraw/zinc/58/67/98/1075586798.db2.gz	CFZSWHFZAUQKDA-FQEVSTJZSA-N	1	1	418.501	1.998	20	0		HDADMO
CN(C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000474619339	1075588940	/nfs/dbraw/zinc/58/89/40/1075588940.db2.gz	DXKYFKGOFSAQDU-HXUWFJFHSA-N	1	1	412.538	1.954	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cnnn1	ZINC000676555714	1075589182	/nfs/dbraw/zinc/58/91/82/1075589182.db2.gz	GLXHYZOAHUPTLV-HNAYVOBHSA-N	1	1	409.494	1.385	20	0		HDADMO
CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732036919	1075592446	/nfs/dbraw/zinc/59/24/46/1075592446.db2.gz	ZBNCZZSCCOVGQC-QGZVFWFLSA-N	1	1	416.547	1.543	20	0		HDADMO
Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)o1	ZINC000676546575	1075593714	/nfs/dbraw/zinc/59/37/14/1075593714.db2.gz	JCLPXAPLHDDZCB-KRWDZBQOSA-N	1	1	415.494	1.485	20	0		HDADMO
C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)[C@H](C)C1	ZINC000480570917	1075595903	/nfs/dbraw/zinc/59/59/03/1075595903.db2.gz	XJGQUNURJHMPKC-ZIAGYGMSSA-N	1	1	403.449	1.999	20	0		HDADMO
C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)[C@@H](C)C1	ZINC000480570916	1075596014	/nfs/dbraw/zinc/59/60/14/1075596014.db2.gz	XJGQUNURJHMPKC-UONOGXRCSA-N	1	1	403.449	1.999	20	0		HDADMO
C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)n1	ZINC000676548860	1075596393	/nfs/dbraw/zinc/59/63/93/1075596393.db2.gz	IXDCQUPPZPTGHO-LJQANCHMSA-N	1	1	412.538	1.727	20	0		HDADMO
CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1	ZINC000732075711	1075606739	/nfs/dbraw/zinc/60/67/39/1075606739.db2.gz	GGZPHMYBHRWPTI-MSOLQXFVSA-N	1	1	414.579	1.799	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC1(OC)CCOCC1	ZINC000676592847	1075606714	/nfs/dbraw/zinc/60/67/14/1075606714.db2.gz	OGLYQCRJDOIIOF-UHFFFAOYSA-N	1	1	420.510	1.400	20	0		HDADMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCNc2cnccn2)cn1	ZINC000506752365	1075607540	/nfs/dbraw/zinc/60/75/40/1075607540.db2.gz	MSOQRZWETKEADG-UXHICEINSA-N	1	1	405.506	1.654	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCC(C3OCCO3)CC2)[NH+]2CCCC2)o1	ZINC000804176616	1075608552	/nfs/dbraw/zinc/60/85/52/1075608552.db2.gz	RDLMMOVVDMHKBU-KRWDZBQOSA-N	1	1	405.495	1.453	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1	ZINC000804176847	1075608601	/nfs/dbraw/zinc/60/86/01/1075608601.db2.gz	VKTUNOXZLOOWPK-MRXNPFEDSA-N	1	1	406.483	1.142	20	0		HDADMO
CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1	ZINC000804176603	1075608683	/nfs/dbraw/zinc/60/86/83/1075608683.db2.gz	CLWALZWDBDOMFY-ZDUSSCGKSA-N	1	1	420.491	1.627	20	0		HDADMO
CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(=O)OC(C)(C)C	ZINC000804179229	1075610022	/nfs/dbraw/zinc/61/00/22/1075610022.db2.gz	ASJORJGRGLHDKY-IRXDYDNUSA-N	1	1	404.511	1.531	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)[NH+]2CCCC2)o1	ZINC000804178524	1075612089	/nfs/dbraw/zinc/61/20/89/1075612089.db2.gz	MPXCNSNAIZRIQE-HOCLYGCPSA-N	1	1	422.526	1.871	20	0		HDADMO
O=C(NCCOc1ncccc1C(F)(F)F)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000676611250	1075614717	/nfs/dbraw/zinc/61/47/17/1075614717.db2.gz	MZAKDAQIECVPSD-CQSZACIVSA-N	1	1	402.417	1.985	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C1	ZINC000676618816	1075618767	/nfs/dbraw/zinc/61/87/67/1075618767.db2.gz	YSACQZYIWLFMSB-LBPRGKRZSA-N	1	1	422.436	1.074	20	0		HDADMO
CC[N@@H+](CCNC(=O)CCc1c(C)nc2nc(N)nn2c1C)CCC(F)(F)F	ZINC000427282534	1075622729	/nfs/dbraw/zinc/62/27/29/1075622729.db2.gz	UIZRMMQIGOODKN-UHFFFAOYSA-N	1	1	401.437	1.646	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)C2CC2)CC1	ZINC000676632154	1075625251	/nfs/dbraw/zinc/62/52/51/1075625251.db2.gz	GUWYKGDJOVMNNL-LJQANCHMSA-N	1	1	402.539	1.089	20	0		HDADMO
CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1	ZINC000732126945	1075630052	/nfs/dbraw/zinc/63/00/52/1075630052.db2.gz	AYKQWSPJUVOBKE-JNLAIUADSA-N	1	1	407.536	1.785	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1	ZINC000533834524	1075636128	/nfs/dbraw/zinc/63/61/28/1075636128.db2.gz	AELAFOCQVQYZBW-JKSUJKDBSA-N	1	1	413.526	1.869	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1	ZINC000533834524	1075636131	/nfs/dbraw/zinc/63/61/31/1075636131.db2.gz	AELAFOCQVQYZBW-JKSUJKDBSA-N	1	1	413.526	1.869	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1	ZINC000533834523	1075636140	/nfs/dbraw/zinc/63/61/40/1075636140.db2.gz	AELAFOCQVQYZBW-HZPDHXFCSA-N	1	1	413.526	1.869	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1	ZINC000533834523	1075636145	/nfs/dbraw/zinc/63/61/45/1075636145.db2.gz	AELAFOCQVQYZBW-HZPDHXFCSA-N	1	1	413.526	1.869	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1	ZINC000533834521	1075636154	/nfs/dbraw/zinc/63/61/54/1075636154.db2.gz	AELAFOCQVQYZBW-CVEARBPZSA-N	1	1	413.526	1.869	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1	ZINC000533834521	1075636157	/nfs/dbraw/zinc/63/61/57/1075636157.db2.gz	AELAFOCQVQYZBW-CVEARBPZSA-N	1	1	413.526	1.869	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1	ZINC000568418099	1075640136	/nfs/dbraw/zinc/64/01/36/1075640136.db2.gz	FYVPYSVHSRNKBP-SJORKVTESA-N	1	1	400.479	1.855	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)n1	ZINC000581934218	1075641367	/nfs/dbraw/zinc/64/13/67/1075641367.db2.gz	ACCNGMVALWENSF-SFHVURJKSA-N	1	1	419.533	1.987	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000732165296	1075644033	/nfs/dbraw/zinc/64/40/33/1075644033.db2.gz	KKFCCOBZGLWOOS-MRXNPFEDSA-N	1	1	413.499	1.564	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000732165296	1075644038	/nfs/dbraw/zinc/64/40/38/1075644038.db2.gz	KKFCCOBZGLWOOS-MRXNPFEDSA-N	1	1	413.499	1.564	20	0		HDADMO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1	ZINC000732135651	1075644813	/nfs/dbraw/zinc/64/48/13/1075644813.db2.gz	JMCQMEFWEIECEZ-HNNXBMFYSA-N	1	1	407.536	1.848	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1	ZINC000732139320	1075647281	/nfs/dbraw/zinc/64/72/81/1075647281.db2.gz	NGLQTUSQNLIFJU-WANZOYLWSA-N	1	1	412.534	1.780	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O	ZINC000732149727	1075649865	/nfs/dbraw/zinc/64/98/65/1075649865.db2.gz	NSLUSVSPMVWEOQ-INIZCTEOSA-N	1	1	411.531	1.487	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1	ZINC000732150015	1075650310	/nfs/dbraw/zinc/65/03/10/1075650310.db2.gz	UEVMRBSAUMGLKH-MCRQTXEHSA-N	1	1	407.478	1.293	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1	ZINC000732150014	1075650379	/nfs/dbraw/zinc/65/03/79/1075650379.db2.gz	UEVMRBSAUMGLKH-HNMKQIAWSA-N	1	1	407.478	1.293	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000732150153	1075650648	/nfs/dbraw/zinc/65/06/48/1075650648.db2.gz	YVKXZCGAXXALLG-IEBWSBKVSA-N	1	1	415.538	1.325	20	0		HDADMO
COc1ccc(COC[C@H](O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1OC	ZINC000676701261	1075651717	/nfs/dbraw/zinc/65/17/17/1075651717.db2.gz	BLVJXHYFTLGIAF-VQTJNVASSA-N	1	1	407.555	1.293	20	0		HDADMO
C[N@@H+](CCCNC(=O)CNC(=O)c1cnc2ccccc2c1O)Cc1ccccc1	ZINC000071905964	1075652379	/nfs/dbraw/zinc/65/23/79/1075652379.db2.gz	JSYOFQIUUOFXKG-UHFFFAOYSA-N	1	1	406.486	1.896	20	0		HDADMO
C[N@H+](CCCNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)Cc1ccccc1	ZINC000071905964	1075652386	/nfs/dbraw/zinc/65/23/86/1075652386.db2.gz	JSYOFQIUUOFXKG-UHFFFAOYSA-N	1	1	406.486	1.896	20	0		HDADMO
C[N@@H+](CCCNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)Cc1ccccc1	ZINC000071905964	1075652390	/nfs/dbraw/zinc/65/23/90/1075652390.db2.gz	JSYOFQIUUOFXKG-UHFFFAOYSA-N	1	1	406.486	1.896	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c1=O	ZINC000732190422	1075655390	/nfs/dbraw/zinc/65/53/90/1075655390.db2.gz	XNEGBGLARWCNCC-MRXNPFEDSA-N	1	1	421.567	1.199	20	0		HDADMO
CN(CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732190104	1075655872	/nfs/dbraw/zinc/65/58/72/1075655872.db2.gz	WMNXJLPFAGMSDA-HNNXBMFYSA-N	1	1	421.295	1.870	20	0		HDADMO
CCCCN(C(=O)C[N@@H+]1CCCOC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000676710768	1075657333	/nfs/dbraw/zinc/65/73/33/1075657333.db2.gz	JKAJZHKNIKJXRB-OAHLLOKOSA-N	1	1	409.531	1.431	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CCCOC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000676710768	1075657336	/nfs/dbraw/zinc/65/73/36/1075657336.db2.gz	JKAJZHKNIKJXRB-OAHLLOKOSA-N	1	1	409.531	1.431	20	0		HDADMO
Cn1cc(N2CC[C@H]([NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)C2=O)cn1	ZINC000732197263	1075657455	/nfs/dbraw/zinc/65/74/55/1075657455.db2.gz	MQASSRLNEPDMGV-KRWDZBQOSA-N	1	1	411.462	1.605	20	0		HDADMO
Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676723293	1075659977	/nfs/dbraw/zinc/65/99/77/1075659977.db2.gz	COOFNIICZFFEAP-OALUTQOASA-N	1	1	424.549	1.896	20	0		HDADMO
COc1cccc(C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000676724748	1075660770	/nfs/dbraw/zinc/66/07/70/1075660770.db2.gz	DQKBEWUCEOVWOG-IBGZPJMESA-N	1	1	404.555	1.679	20	0		HDADMO
C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676729500	1075662549	/nfs/dbraw/zinc/66/25/49/1075662549.db2.gz	HYOVSYNCBDDFNE-SJLPKXTDSA-N	1	1	400.523	1.140	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(F)c(F)cc1Br	ZINC000676729351	1075663109	/nfs/dbraw/zinc/66/31/09/1075663109.db2.gz	AMJCHSZNTGCUOT-GFCCVEGCSA-N	1	1	418.282	1.864	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@H+](CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)C1	ZINC000732206801	1075664097	/nfs/dbraw/zinc/66/40/97/1075664097.db2.gz	DBAXRURXGBLYEL-QAPCUYQASA-N	1	1	400.479	1.268	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@@H+](CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)C1	ZINC000732206801	1075664098	/nfs/dbraw/zinc/66/40/98/1075664098.db2.gz	DBAXRURXGBLYEL-QAPCUYQASA-N	1	1	400.479	1.268	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000732207634	1075665013	/nfs/dbraw/zinc/66/50/13/1075665013.db2.gz	YDNPVQOSBGOISW-GFCCVEGCSA-N	1	1	408.455	1.908	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000732207634	1075665014	/nfs/dbraw/zinc/66/50/14/1075665014.db2.gz	YDNPVQOSBGOISW-GFCCVEGCSA-N	1	1	408.455	1.908	20	0		HDADMO
CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O	ZINC000676734189	1075665421	/nfs/dbraw/zinc/66/54/21/1075665421.db2.gz	ZEZZRYLVYPFYIH-OAHLLOKOSA-N	1	1	404.467	1.452	20	0		HDADMO
CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O	ZINC000676734189	1075665423	/nfs/dbraw/zinc/66/54/23/1075665423.db2.gz	ZEZZRYLVYPFYIH-OAHLLOKOSA-N	1	1	404.467	1.452	20	0		HDADMO
CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1	ZINC000676738597	1075671081	/nfs/dbraw/zinc/67/10/81/1075671081.db2.gz	BBINTHOEVYYLNB-QFBILLFUSA-N	1	1	407.561	1.967	20	0		HDADMO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1	ZINC000732198796	1075674356	/nfs/dbraw/zinc/67/43/56/1075674356.db2.gz	FTSIPRPZRVUJPA-GOSISDBHSA-N	1	1	410.559	1.110	20	0		HDADMO
C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000429462315	1075675309	/nfs/dbraw/zinc/67/53/09/1075675309.db2.gz	AUYAFAIKMNFMDF-LJQANCHMSA-N	1	1	415.582	1.406	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000732249737	1075680268	/nfs/dbraw/zinc/68/02/68/1075680268.db2.gz	SKVDUIGTFZUDAU-MRXNPFEDSA-N	1	1	419.551	1.337	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1	ZINC000732276965	1075686806	/nfs/dbraw/zinc/68/68/06/1075686806.db2.gz	YFEOZWWRFGXYMF-UHFFFAOYSA-N	1	1	401.430	1.790	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)C(=O)C1	ZINC001545675488	1075699721	/nfs/dbraw/zinc/69/97/21/1075699721.db2.gz	ZEEQJZJYJAOUMY-KRWDZBQOSA-N	1	1	411.554	1.805	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000491515946	1075700348	/nfs/dbraw/zinc/70/03/48/1075700348.db2.gz	VXGOBSYTFSLLBO-RISCZKNCSA-N	1	1	422.411	1.824	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](COC)C1	ZINC001545675536	1075701152	/nfs/dbraw/zinc/70/11/52/1075701152.db2.gz	ZRZIEDGWKAVPHQ-MJGOQNOKSA-N	1	1	402.543	1.846	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)n1	ZINC000429022015	1075702597	/nfs/dbraw/zinc/70/25/97/1075702597.db2.gz	AIRGYFVLBSIQDJ-KRWDZBQOSA-N	1	1	416.551	1.710	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)n1	ZINC000429022015	1075702602	/nfs/dbraw/zinc/70/26/02/1075702602.db2.gz	AIRGYFVLBSIQDJ-KRWDZBQOSA-N	1	1	416.551	1.710	20	0		HDADMO
COc1cc2[nH+]c(NC[C@H](O)COc3ccc(F)c(F)c3)nc(N)c2cc1OC	ZINC000521932408	1075702645	/nfs/dbraw/zinc/70/26/45/1075702645.db2.gz	NIQGZWWPOYKLMI-JTQLQIEISA-N	1	1	406.389	1.781	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@@H](C)O1	ZINC000435002467	1075703325	/nfs/dbraw/zinc/70/33/25/1075703325.db2.gz	DKCGWDGBOGRUHZ-BRWVUGGUSA-N	1	1	418.538	2.545	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc4n(n3)CCCC4)c2)CCO1	ZINC000498029592	1075703918	/nfs/dbraw/zinc/70/39/18/1075703918.db2.gz	QJPZNCDHKBEGBK-MRXNPFEDSA-N	1	1	411.506	1.695	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc4n(n3)CCCC4)c2)CCO1	ZINC000498029592	1075703925	/nfs/dbraw/zinc/70/39/25/1075703925.db2.gz	QJPZNCDHKBEGBK-MRXNPFEDSA-N	1	1	411.506	1.695	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C[C@H](C)O1	ZINC000568757468	1075705006	/nfs/dbraw/zinc/70/50/06/1075705006.db2.gz	CQBPKWWXAKMGBU-OKILXGFUSA-N	1	1	421.448	2.335	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C[C@H](C)O1	ZINC000568757468	1075705013	/nfs/dbraw/zinc/70/50/13/1075705013.db2.gz	CQBPKWWXAKMGBU-OKILXGFUSA-N	1	1	421.448	2.335	20	0		HDADMO
COc1cc2[nH+]c(N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)nc(N)c2cc1OC	ZINC000553577906	1075707329	/nfs/dbraw/zinc/70/73/29/1075707329.db2.gz	DKNCYPFSOTTZOE-GFCCVEGCSA-N	1	1	423.417	1.463	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000429260197	1075710075	/nfs/dbraw/zinc/71/00/75/1075710075.db2.gz	ZURMHURGAIWGGS-UHFFFAOYSA-N	1	1	400.462	1.911	20	0		HDADMO
O=C(NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)N1CCSCC1	ZINC000509436717	1075710048	/nfs/dbraw/zinc/71/00/48/1075710048.db2.gz	OLHOYHFNQAPVNC-GOSISDBHSA-N	1	1	416.547	1.537	20	0		HDADMO
COC(C)(C)C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439143	1075714135	/nfs/dbraw/zinc/71/41/35/1075714135.db2.gz	OBHHMMTXVGICTE-QZTJIDSGSA-N	1	1	404.555	1.633	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1nnc(Cc2ccccc2)s1	ZINC000587089472	1075715195	/nfs/dbraw/zinc/71/51/95/1075715195.db2.gz	ICVCIKSEPGWVAS-MRXNPFEDSA-N	1	1	416.551	2.193	20	0		HDADMO
Cn1cnc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1	ZINC000555938571	1075719271	/nfs/dbraw/zinc/71/92/71/1075719271.db2.gz	QYULPRKOPVENHT-DZGCQCFKSA-N	1	1	424.427	1.972	20	0		HDADMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)cc1	ZINC000440276030	1075719326	/nfs/dbraw/zinc/71/93/26/1075719326.db2.gz	LRUKTENGNQHJFI-UHFFFAOYSA-N	1	1	404.496	1.913	20	0		HDADMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)c3cnc(C4CC4)nc3N)CC2)C[C@H](C)O1	ZINC000503351545	1075720347	/nfs/dbraw/zinc/72/03/47/1075720347.db2.gz	GEBHOKPTNZQIIA-GJZGRUSLSA-N	1	1	403.527	1.667	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1	ZINC000509256878	1075721416	/nfs/dbraw/zinc/72/14/16/1075721416.db2.gz	LOCDVFMIKXJDPZ-OAHLLOKOSA-N	1	1	400.570	1.496	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1	ZINC000448485323	1075721759	/nfs/dbraw/zinc/72/17/59/1075721759.db2.gz	IXTJHZWPSHNLCH-OKILXGFUSA-N	1	1	403.449	2.258	20	0		HDADMO
C[C@H]1[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)CC[N@H+]1Cc1ccccc1	ZINC000568549694	1075723304	/nfs/dbraw/zinc/72/33/04/1075723304.db2.gz	KSTCDKLQJFSNDW-HOCLYGCPSA-N	1	1	401.540	1.615	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CCCCO)C1CC1	ZINC000509442262	1075726829	/nfs/dbraw/zinc/72/68/29/1075726829.db2.gz	NSQRGLGNTVWEFZ-SFHVURJKSA-N	1	1	402.539	1.077	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC1CCOCC1	ZINC000509442089	1075727615	/nfs/dbraw/zinc/72/76/15/1075727615.db2.gz	MUDFZYXGQYUMOJ-LJQANCHMSA-N	1	1	416.566	1.588	20	0		HDADMO
Cc1onc(N)c1S(=O)(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1	ZINC000583349690	1075728065	/nfs/dbraw/zinc/72/80/65/1075728065.db2.gz	RSRADFPCBJBOIH-GASCZTMLSA-N	1	1	422.551	2.053	20	0		HDADMO
Cn1nc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC(F)F	ZINC000445161841	1075737395	/nfs/dbraw/zinc/73/73/95/1075737395.db2.gz	FWQCLCXOHGYOGT-HNNXBMFYSA-N	1	1	409.437	2.300	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)Cc1ccc(O)cc1	ZINC000509443336	1075737471	/nfs/dbraw/zinc/73/74/71/1075737471.db2.gz	ZIQGHEOAHKMIMS-SFHVURJKSA-N	1	1	410.518	1.678	20	0		HDADMO
CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCCO1	ZINC000509443403	1075737675	/nfs/dbraw/zinc/73/76/75/1075737675.db2.gz	ZXZDAMAEDYIRKY-AZUAARDMSA-N	1	1	402.539	1.341	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[N@H+]1C	ZINC000509258966	1075738005	/nfs/dbraw/zinc/73/80/05/1075738005.db2.gz	QHEMBGSTDDJKAM-OWCLPIDISA-N	1	1	414.597	1.883	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@]1(C)CCCS1	ZINC000509443202	1075738715	/nfs/dbraw/zinc/73/87/15/1075738715.db2.gz	YEZMRMKXQGTFQH-DYESRHJHSA-N	1	1	404.580	1.715	20	0		HDADMO
CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732413589	1075739134	/nfs/dbraw/zinc/73/91/34/1075739134.db2.gz	VNNTVDOXNFKQRK-QGZVFWFLSA-N	1	1	420.579	1.690	20	0		HDADMO
CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732413589	1075739137	/nfs/dbraw/zinc/73/91/37/1075739137.db2.gz	VNNTVDOXNFKQRK-QGZVFWFLSA-N	1	1	420.579	1.690	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732412988	1075739146	/nfs/dbraw/zinc/73/91/46/1075739146.db2.gz	NVFMCFSBNFUOKB-PMACEKPBSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732412988	1075739149	/nfs/dbraw/zinc/73/91/49/1075739149.db2.gz	NVFMCFSBNFUOKB-PMACEKPBSA-N	1	1	413.518	1.590	20	0		HDADMO
COc1ccccc1CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509443289	1075739490	/nfs/dbraw/zinc/73/94/90/1075739490.db2.gz	YVHOXFCONFSNSN-IBGZPJMESA-N	1	1	424.545	1.981	20	0		HDADMO
Cc1cc(N)nc(S[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)n1	ZINC000520678909	1075741012	/nfs/dbraw/zinc/74/10/12/1075741012.db2.gz	FEUUHISMBIYAHN-OAHLLOKOSA-N	1	1	401.536	1.996	20	0		HDADMO
CN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732450808	1075741726	/nfs/dbraw/zinc/74/17/26/1075741726.db2.gz	ZNDXSMLXXWILLL-SFHVURJKSA-N	1	1	409.575	1.807	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)CC2)oc1C	ZINC000429477786	1075743296	/nfs/dbraw/zinc/74/32/96/1075743296.db2.gz	QXSBYNQWBQCVBT-XWIAVFTESA-N	1	1	403.527	1.812	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCCC[C@@H]2C2OCCO2)c2cccs2)CC1	ZINC000732443415	1075746325	/nfs/dbraw/zinc/74/63/25/1075746325.db2.gz	XTPCMBDJARNMOI-IAGOWNOFSA-N	1	1	408.568	1.974	20	0		HDADMO
CN(c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1F)C1CCCCC1	ZINC000732485423	1075747904	/nfs/dbraw/zinc/74/79/04/1075747904.db2.gz	QONWTYUQDUJCCZ-GOSISDBHSA-N	1	1	419.545	1.895	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1	ZINC000483836764	1075752240	/nfs/dbraw/zinc/75/22/40/1075752240.db2.gz	ILNLETFCXQRIPH-LJQANCHMSA-N	1	1	407.522	1.893	20	0		HDADMO
C[C@H](C[NH+]1CCOCC1)Nc1cc(N[C@@H](C)CN2CCOCC2)nc2cnccc21	ZINC000555896332	1075754970	/nfs/dbraw/zinc/75/49/70/1075754970.db2.gz	MVLACFFPOKKWGR-MSOLQXFVSA-N	1	1	414.554	1.895	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cnc(C4CC4)nc3N)c2)C1	ZINC000497689354	1075756902	/nfs/dbraw/zinc/75/69/02/1075756902.db2.gz	REHHLGNTQRDURC-KRWDZBQOSA-N	1	1	408.506	1.564	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC2)no1	ZINC000029596052	1075760222	/nfs/dbraw/zinc/76/02/22/1075760222.db2.gz	QITXUCSFUNRANZ-UHFFFAOYSA-N	1	1	411.462	1.225	20	0		HDADMO
COC(=O)c1cc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)oc1C	ZINC000543690312	1075761200	/nfs/dbraw/zinc/76/12/00/1075761200.db2.gz	GPMLYEJVBWVSFH-UHFFFAOYSA-N	1	1	413.540	1.413	20	0		HDADMO
C[N@@H+](CCNC(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccc(F)cc1	ZINC000483561284	1075761306	/nfs/dbraw/zinc/76/13/06/1075761306.db2.gz	NXBZRUPSTIYUPH-UHFFFAOYSA-N	1	1	404.490	1.608	20	0		HDADMO
Cc1ccc(COc2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)cc1	ZINC000732486244	1075762965	/nfs/dbraw/zinc/76/29/65/1075762965.db2.gz	ZWTKYOYRHVCABH-FQEVSTJZSA-N	1	1	410.518	1.875	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1	ZINC000509266400	1075762954	/nfs/dbraw/zinc/76/29/54/1075762954.db2.gz	DQCZCFLSUUTQFD-MRXNPFEDSA-N	1	1	414.597	1.884	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cc(C(C)(C)C)on1	ZINC000442496577	1075766117	/nfs/dbraw/zinc/76/61/17/1075766117.db2.gz	CJIGOXUASKBQFY-QFIPXVFZSA-N	1	1	414.506	2.006	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)n1	ZINC000467839943	1075769568	/nfs/dbraw/zinc/76/95/68/1075769568.db2.gz	FXQYRXFPVDTBHP-INIZCTEOSA-N	1	1	404.515	1.963	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)n1	ZINC000467839943	1075769572	/nfs/dbraw/zinc/76/95/72/1075769572.db2.gz	FXQYRXFPVDTBHP-INIZCTEOSA-N	1	1	404.515	1.963	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1	ZINC000804224277	1075776989	/nfs/dbraw/zinc/77/69/89/1075776989.db2.gz	ZPCUOIHAEIEBAA-CALCHBBNSA-N	1	1	408.543	1.587	20	0		HDADMO
CC(C)c1[nH+]ccn1CCC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1	ZINC001063018513	1075780153	/nfs/dbraw/zinc/78/01/53/1075780153.db2.gz	PSCIYYVNGPELOY-BCDMZGRMSA-N	1	1	400.523	1.975	20	0		HDADMO
COc1cc2c(cc1OC)CN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC2	ZINC000016341125	1075785996	/nfs/dbraw/zinc/78/59/96/1075785996.db2.gz	IIKJHEVETNIXKA-LJQANCHMSA-N	1	1	405.539	1.535	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565387	1075789836	/nfs/dbraw/zinc/78/98/36/1075789836.db2.gz	XYFHFYRHOVGCFO-YIDKXPIOSA-N	1	1	408.612	1.871	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565387	1075789841	/nfs/dbraw/zinc/78/98/41/1075789841.db2.gz	XYFHFYRHOVGCFO-YIDKXPIOSA-N	1	1	408.612	1.871	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1	ZINC000434075968	1075790409	/nfs/dbraw/zinc/79/04/09/1075790409.db2.gz	DYMAJCJVPOUAJD-INIZCTEOSA-N	1	1	401.442	2.251	20	0		HDADMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H]1Cc1ccccc1	ZINC000551760193	1075790841	/nfs/dbraw/zinc/79/08/41/1075790841.db2.gz	PNXSIZPZUVDMGQ-OAQYLSRUSA-N	1	1	417.513	2.255	20	0		HDADMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H]1Cc1ccccc1	ZINC000551760193	1075790845	/nfs/dbraw/zinc/79/08/45/1075790845.db2.gz	PNXSIZPZUVDMGQ-OAQYLSRUSA-N	1	1	417.513	2.255	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2ccc(N(C)C(=O)OC)cc2)CC1	ZINC000142838536	1075793798	/nfs/dbraw/zinc/79/37/98/1075793798.db2.gz	QCNDNDMVBPWNIU-UHFFFAOYSA-N	1	1	419.526	1.362	20	0		HDADMO
C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)Nc2cc[nH]n2)c1	ZINC000426175452	1075795409	/nfs/dbraw/zinc/79/54/09/1075795409.db2.gz	HJQJWAVONWSOMU-LBPRGKRZSA-N	1	1	402.430	1.939	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)Nc2cc[nH]n2)c1	ZINC000426175452	1075795413	/nfs/dbraw/zinc/79/54/13/1075795413.db2.gz	HJQJWAVONWSOMU-LBPRGKRZSA-N	1	1	402.430	1.939	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1cccs1	ZINC000487391169	1075795985	/nfs/dbraw/zinc/79/59/85/1075795985.db2.gz	WWJZPENXWQSIEW-HKUYNNGSSA-N	1	1	410.584	1.467	20	0		HDADMO
C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@H+]1Cc1ccccc1	ZINC000446723745	1075799883	/nfs/dbraw/zinc/79/98/83/1075799883.db2.gz	VYCNKOFSQDTNPA-HNNXBMFYSA-N	1	1	423.439	2.507	20	0		HDADMO
CC(C)c1[nH+]ccn1CCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1	ZINC001063824235	1075802399	/nfs/dbraw/zinc/80/23/99/1075802399.db2.gz	DWZFAKTZMTXPRR-BCDMZGRMSA-N	1	1	400.523	1.975	20	0		HDADMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)C[C@H](C)O1	ZINC000542607101	1075808046	/nfs/dbraw/zinc/80/80/46/1075808046.db2.gz	JGSSFCFOLQZUOG-GJZGRUSLSA-N	1	1	406.531	1.726	20	0		HDADMO
C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CCCO1	ZINC000433645289	1075808738	/nfs/dbraw/zinc/80/87/38/1075808738.db2.gz	BEIPMMSNFYNJSR-HNNXBMFYSA-N	1	1	419.913	2.081	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@@H](CSC)C2)c(=O)[nH]c1=O	ZINC000429282979	1075809563	/nfs/dbraw/zinc/80/95/63/1075809563.db2.gz	HIOIABSSVIOUIM-CQSZACIVSA-N	1	1	411.572	1.759	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[N@H+]1Cc1ccccc1	ZINC000429257061	1075812135	/nfs/dbraw/zinc/81/21/35/1075812135.db2.gz	NBCQDZYWVIXRLA-GOEBONIOSA-N	1	1	422.489	2.161	20	0		HDADMO
CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)n1	ZINC000438777132	1075813113	/nfs/dbraw/zinc/81/31/13/1075813113.db2.gz	VAJHLSNVNZNBNW-KZNAEPCWSA-N	1	1	405.543	1.968	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611037238	1075818324	/nfs/dbraw/zinc/81/83/24/1075818324.db2.gz	HBWXDFJZMWTSJO-GJZGRUSLSA-N	1	1	411.524	1.716	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1	ZINC000611038262	1075818590	/nfs/dbraw/zinc/81/85/90/1075818590.db2.gz	MZFZBKUMQTTXTJ-HNNXBMFYSA-N	1	1	422.526	1.023	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1	ZINC000611038262	1075818593	/nfs/dbraw/zinc/81/85/93/1075818593.db2.gz	MZFZBKUMQTTXTJ-HNNXBMFYSA-N	1	1	422.526	1.023	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1	ZINC000732633311	1075820282	/nfs/dbraw/zinc/82/02/82/1075820282.db2.gz	IDDBZTZPWOGJJO-SFHVURJKSA-N	1	1	408.449	1.565	20	0		HDADMO
CC[N@H+]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C[C@H]1C	ZINC000611088309	1075827513	/nfs/dbraw/zinc/82/75/13/1075827513.db2.gz	OYNGRPBJKOZXHB-AEFFLSMTSA-N	1	1	413.609	1.948	20	0		HDADMO
COC(=O)c1cccc([C@@H](C(=O)OC)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1	ZINC000611089211	1075827929	/nfs/dbraw/zinc/82/79/29/1075827929.db2.gz	LDNWSCWWSBZNIW-PMACEKPBSA-N	1	1	403.523	1.789	20	0		HDADMO
CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(C)n1	ZINC000551627841	1075833934	/nfs/dbraw/zinc/83/39/34/1075833934.db2.gz	KIJGQBHQHNDMNI-FQEVSTJZSA-N	1	1	411.550	2.550	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000611090892	1075839825	/nfs/dbraw/zinc/83/98/25/1075839825.db2.gz	QSOFLSKVAMYYRS-HNNXBMFYSA-N	1	1	415.490	1.405	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000611090892	1075839832	/nfs/dbraw/zinc/83/98/32/1075839832.db2.gz	QSOFLSKVAMYYRS-HNNXBMFYSA-N	1	1	415.490	1.405	20	0		HDADMO
COCC[NH+]1CCN(C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)CC1	ZINC000611097435	1075841986	/nfs/dbraw/zinc/84/19/86/1075841986.db2.gz	UUWHQKZAUNPNMN-UHFFFAOYSA-N	1	1	401.467	1.763	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Nc3nnc(C4CC4)s3)c2)C1	ZINC000553037131	1075842105	/nfs/dbraw/zinc/84/21/05/1075842105.db2.gz	ZPUCQKMQQRAXKM-INIZCTEOSA-N	1	1	414.535	2.435	20	0		HDADMO
Cc1ncc(/C=C\C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)s1	ZINC000732765332	1075848453	/nfs/dbraw/zinc/84/84/53/1075848453.db2.gz	ZABUEPSVYMQXJA-PLNGDYQASA-N	1	1	405.568	1.162	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1	ZINC000732752722	1075856529	/nfs/dbraw/zinc/85/65/29/1075856529.db2.gz	JAGUXUJTXAOQHI-UHFFFAOYSA-N	1	1	411.572	1.925	20	0		HDADMO
CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000732754683	1075857232	/nfs/dbraw/zinc/85/72/32/1075857232.db2.gz	GQNMCUGULIXGFJ-QRVBRYPASA-N	1	1	405.564	1.446	20	0		HDADMO
COCC1CC[NH+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)CC1	ZINC000732799424	1075861306	/nfs/dbraw/zinc/86/13/06/1075861306.db2.gz	RJYHVDQGTHFDBE-NRFANRHFSA-N	1	1	403.479	1.974	20	0		HDADMO
CCOc1ccc(N2C[C@@H](C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2=O)cc1	ZINC000732781523	1075864669	/nfs/dbraw/zinc/86/46/69/1075864669.db2.gz	RMTKEGHYZRWMPA-ROUUACIJSA-N	1	1	414.550	1.723	20	0		HDADMO
CCOc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2=O)cc1	ZINC000732781523	1075864671	/nfs/dbraw/zinc/86/46/71/1075864671.db2.gz	RMTKEGHYZRWMPA-ROUUACIJSA-N	1	1	414.550	1.723	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1	ZINC000429302030	1075864913	/nfs/dbraw/zinc/86/49/13/1075864913.db2.gz	PZLDQOWUEIKZGZ-CABCVRRESA-N	1	1	406.483	1.399	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(F)cc2I)CC1	ZINC000611166012	1075865262	/nfs/dbraw/zinc/86/52/62/1075865262.db2.gz	XKXWDCOEOIXGJN-UHFFFAOYSA-N	1	1	406.239	1.959	20	0		HDADMO
CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732782108	1075866113	/nfs/dbraw/zinc/86/61/13/1075866113.db2.gz	DCQSCCOEYNAQJK-KRWDZBQOSA-N	1	1	412.456	1.426	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1	ZINC000804217258	1075867279	/nfs/dbraw/zinc/86/72/79/1075867279.db2.gz	VUTZCNGWWFZSIR-KRWDZBQOSA-N	1	1	404.511	1.314	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1	ZINC000611181256	1075867921	/nfs/dbraw/zinc/86/79/21/1075867921.db2.gz	XJQCWHDWEKHLST-VQTJNVASSA-N	1	1	422.614	1.667	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1	ZINC000611181050	1075868651	/nfs/dbraw/zinc/86/86/51/1075868651.db2.gz	WRZOTPGYQCIBCJ-IBGZPJMESA-N	1	1	422.614	1.667	20	0		HDADMO
COC(=O)c1sc(NC(=O)CC[N@@H+]2CCNC(=O)C[C@@H]2C)c(C(=O)OC)c1C	ZINC000611178078	1075870166	/nfs/dbraw/zinc/87/01/66/1075870166.db2.gz	QABNOCGGOBMUHP-JTQLQIEISA-N	1	1	411.480	1.169	20	0		HDADMO
COC(=O)c1sc(NC(=O)CC[N@H+]2CCNC(=O)C[C@@H]2C)c(C(=O)OC)c1C	ZINC000611178078	1075870169	/nfs/dbraw/zinc/87/01/69/1075870169.db2.gz	QABNOCGGOBMUHP-JTQLQIEISA-N	1	1	411.480	1.169	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732812276	1075873411	/nfs/dbraw/zinc/87/34/11/1075873411.db2.gz	NBQUBMPNGVVYAV-VQIMIIECSA-N	1	1	401.507	1.955	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732812276	1075873415	/nfs/dbraw/zinc/87/34/15/1075873415.db2.gz	NBQUBMPNGVVYAV-VQIMIIECSA-N	1	1	401.507	1.955	20	0		HDADMO
COc1ccc(CCN2C(=O)C[C@H]([N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000732818484	1075878277	/nfs/dbraw/zinc/87/82/77/1075878277.db2.gz	DVNBYGOFGSLMHI-QUCCMNQESA-N	1	1	413.518	1.842	20	0		HDADMO
COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000732818484	1075878282	/nfs/dbraw/zinc/87/82/82/1075878282.db2.gz	DVNBYGOFGSLMHI-QUCCMNQESA-N	1	1	413.518	1.842	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](N3CCCCC3=O)C2)CC1	ZINC000732821055	1075879342	/nfs/dbraw/zinc/87/93/42/1075879342.db2.gz	ABIZSFXELAIUOW-SFHVURJKSA-N	1	1	407.559	1.164	20	0		HDADMO
CCOc1ncc(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl	ZINC000732848052	1075885170	/nfs/dbraw/zinc/88/51/70/1075885170.db2.gz	WFJRUNKTGKCOHW-HNNXBMFYSA-N	1	1	413.902	1.764	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1=O	ZINC000611244228	1075885413	/nfs/dbraw/zinc/88/54/13/1075885413.db2.gz	LKDHHZDISZDKQR-HOTGVXAUSA-N	1	1	420.535	1.054	20	0		HDADMO
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000611281011	1075891433	/nfs/dbraw/zinc/89/14/33/1075891433.db2.gz	IPKJDOVKRXKLGO-LJQANCHMSA-N	1	1	403.523	1.778	20	0		HDADMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H](C)O1	ZINC000732887239	1075892934	/nfs/dbraw/zinc/89/29/34/1075892934.db2.gz	XCBZITMBTYKEJX-HZSPNIEDSA-N	1	1	408.465	1.679	20	0		HDADMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H](C)O1	ZINC000732887239	1075892937	/nfs/dbraw/zinc/89/29/37/1075892937.db2.gz	XCBZITMBTYKEJX-HZSPNIEDSA-N	1	1	408.465	1.679	20	0		HDADMO
CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1	ZINC000611293301	1075894638	/nfs/dbraw/zinc/89/46/38/1075894638.db2.gz	VVPKMIXTCTYOTQ-LJQANCHMSA-N	1	1	403.523	1.778	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)cc2F)C[C@@H](C)O1	ZINC000732895856	1075898537	/nfs/dbraw/zinc/89/85/37/1075898537.db2.gz	HOKJAVZFFPEWAR-HUUCEWRRSA-N	1	1	424.542	1.543	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1	ZINC000611321833	1075900569	/nfs/dbraw/zinc/90/05/69/1075900569.db2.gz	SEJTYRZJJWXTKG-AWEZNQCLSA-N	1	1	411.524	1.492	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1	ZINC000611321833	1075900571	/nfs/dbraw/zinc/90/05/71/1075900571.db2.gz	SEJTYRZJJWXTKG-AWEZNQCLSA-N	1	1	411.524	1.492	20	0		HDADMO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN([C@@H]4CCC[C@H]4O)CC3)cc2)CC1	ZINC000732871995	1075901883	/nfs/dbraw/zinc/90/18/83/1075901883.db2.gz	QKAWUBZNXZIHRT-FGZHOGPDSA-N	1	1	415.582	1.298	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cn1C	ZINC000611359244	1075917270	/nfs/dbraw/zinc/91/72/70/1075917270.db2.gz	KPCSICDAMAVUNX-UHFFFAOYSA-N	1	1	412.490	1.793	20	0		HDADMO
CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000611382506	1075922698	/nfs/dbraw/zinc/92/26/98/1075922698.db2.gz	GWPFIRJIEXJVSH-ROUUACIJSA-N	1	1	417.506	1.638	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)[C@H](C)C1	ZINC000611395334	1075924222	/nfs/dbraw/zinc/92/42/22/1075924222.db2.gz	ZQMBHPRQKZTNCO-SJLPKXTDSA-N	1	1	404.511	1.485	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)[C@H](C)C1	ZINC000611395334	1075924224	/nfs/dbraw/zinc/92/42/24/1075924224.db2.gz	ZQMBHPRQKZTNCO-SJLPKXTDSA-N	1	1	404.511	1.485	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)[C@H](C)C1	ZINC000611396263	1075924594	/nfs/dbraw/zinc/92/45/94/1075924594.db2.gz	POWNYIWJGUWBMH-IEBWSBKVSA-N	1	1	413.522	1.983	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)[C@H](C)C1	ZINC000611396263	1075924596	/nfs/dbraw/zinc/92/45/96/1075924596.db2.gz	POWNYIWJGUWBMH-IEBWSBKVSA-N	1	1	413.522	1.983	20	0		HDADMO
CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000611511039	1075948232	/nfs/dbraw/zinc/94/82/32/1075948232.db2.gz	YFLMJMSZCXPDSR-QGZVFWFLSA-N	1	1	413.515	1.403	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)ccc1N1C(=O)CCC1=O	ZINC000733046393	1075952480	/nfs/dbraw/zinc/95/24/80/1075952480.db2.gz	QYRLQSSUPJHVSB-UHFFFAOYSA-N	1	1	400.479	1.387	20	0		HDADMO
COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)Cc1cccc(C)c1	ZINC000611545907	1075960239	/nfs/dbraw/zinc/96/02/39/1075960239.db2.gz	GXDVASBVTWRJDO-QGZVFWFLSA-N	1	1	421.457	1.662	20	0		HDADMO
CCOC(=O)[C@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1	ZINC000611545881	1075960429	/nfs/dbraw/zinc/96/04/29/1075960429.db2.gz	FDZLMCRXUXXIHH-KRWDZBQOSA-N	1	1	421.457	1.744	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733039975	1075962806	/nfs/dbraw/zinc/96/28/06/1075962806.db2.gz	YQVIMCXHBRNXKD-KGLIPLIRSA-N	1	1	410.531	1.670	20	0		HDADMO
CC(C)(C)OC(=O)N1CCCC[C@H](NC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000733083780	1075965982	/nfs/dbraw/zinc/96/59/82/1075965982.db2.gz	VKXGTXXHDVQTCB-INIZCTEOSA-N	1	1	400.589	1.962	20	0		HDADMO
Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]4COC[C@@H]43)CC2)o1	ZINC001079262778	1075968087	/nfs/dbraw/zinc/96/80/87/1075968087.db2.gz	AQRHKIIKEQUUHZ-FQBWVUSXSA-N	1	1	401.507	1.990	20	0		HDADMO
COc1ccccc1COC[C@@H](O)C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000105166560	1075969542	/nfs/dbraw/zinc/96/95/42/1075969542.db2.gz	FGYLGOIMQMQGCT-NRFANRHFSA-N	1	1	419.566	1.593	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CCO)CCN1CCOCC1	ZINC000491424129	1075975096	/nfs/dbraw/zinc/97/50/96/1075975096.db2.gz	PHSPPDFPARYYFW-FPOVZHCZSA-N	1	1	404.555	1.233	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCNc2ncnc3sccc32)CC1=O	ZINC000733133090	1075981169	/nfs/dbraw/zinc/98/11/69/1075981169.db2.gz	INWWDDMZPZOLME-HUUCEWRRSA-N	1	1	416.551	1.552	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)ccc12	ZINC000733155296	1075988895	/nfs/dbraw/zinc/98/88/95/1075988895.db2.gz	AKQBVIBYIPJELB-IBGZPJMESA-N	1	1	401.507	1.868	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1C	ZINC000733156916	1075989137	/nfs/dbraw/zinc/98/91/37/1075989137.db2.gz	KCVKNSPFIBGTTL-KRWDZBQOSA-N	1	1	408.543	1.437	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc3cc(F)ccc3n2C)CC1=O	ZINC000733155143	1075989150	/nfs/dbraw/zinc/98/91/50/1075989150.db2.gz	QZKOMMCCIQIFGO-GOEBONIOSA-N	1	1	401.486	1.661	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000733157429	1075990159	/nfs/dbraw/zinc/99/01/59/1075990159.db2.gz	XBYDCLFXALMUPR-SFHVURJKSA-N	1	1	412.575	1.938	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000733157429	1075990162	/nfs/dbraw/zinc/99/01/62/1075990162.db2.gz	XBYDCLFXALMUPR-SFHVURJKSA-N	1	1	412.575	1.938	20	0		HDADMO
CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)N1CC[NH+](C)CC1	ZINC000733157346	1075990167	/nfs/dbraw/zinc/99/01/67/1075990167.db2.gz	SPJWXNQIOXNQRY-GJZGRUSLSA-N	1	1	408.465	1.538	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1	ZINC000733163972	1075996210	/nfs/dbraw/zinc/99/62/10/1075996210.db2.gz	IXXPYVIBEBNJJR-JXMROGBWSA-N	1	1	408.568	1.556	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1	ZINC000733163972	1075996212	/nfs/dbraw/zinc/99/62/12/1075996212.db2.gz	IXXPYVIBEBNJJR-JXMROGBWSA-N	1	1	408.568	1.556	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000733170767	1076000587	/nfs/dbraw/zinc/00/05/87/1076000587.db2.gz	RYBJYIPRDNTJRI-JEJOPICUSA-N	1	1	408.568	1.461	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1	ZINC000733171539	1076001352	/nfs/dbraw/zinc/00/13/52/1076001352.db2.gz	YKJJGNCYKKLIMO-CXAGYDPISA-N	1	1	422.517	1.981	20	0		HDADMO
COc1ccc([C@@H](CO)[N@@H+](C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1	ZINC000733195461	1076001919	/nfs/dbraw/zinc/00/19/19/1076001919.db2.gz	OBQJGCOKPWPYJM-QGZVFWFLSA-N	1	1	418.494	1.336	20	0		HDADMO
COC[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1	ZINC000733196596	1076002241	/nfs/dbraw/zinc/00/22/41/1076002241.db2.gz	DMEKHRPEWVVWHA-DYESRHJHSA-N	1	1	402.495	1.319	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1	ZINC000733196596	1076002248	/nfs/dbraw/zinc/00/22/48/1076002248.db2.gz	DMEKHRPEWVVWHA-DYESRHJHSA-N	1	1	402.495	1.319	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000733197888	1076003098	/nfs/dbraw/zinc/00/30/98/1076003098.db2.gz	VAELXBWWGZPFNV-KRWDZBQOSA-N	1	1	418.542	1.457	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000733197888	1076003104	/nfs/dbraw/zinc/00/31/04/1076003104.db2.gz	VAELXBWWGZPFNV-KRWDZBQOSA-N	1	1	418.542	1.457	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2nnn(Cc3cc(C)on3)c2C)[C@H](C)C1	ZINC000512965647	1076003981	/nfs/dbraw/zinc/00/39/81/1076003981.db2.gz	CQKBYHWBVACYQD-RDTXWAMCSA-N	1	1	404.515	1.798	20	0		HDADMO
CN(C1CCCCC1)S(=O)(=O)N1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1	ZINC000733186018	1076012369	/nfs/dbraw/zinc/01/23/69/1076012369.db2.gz	BJNSTSOLLHHTHL-UHFFFAOYSA-N	1	1	408.572	1.708	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C2)no1	ZINC000514030958	1076016874	/nfs/dbraw/zinc/01/68/74/1076016874.db2.gz	NCSAPHIKNKTNHN-WMZOPIPTSA-N	1	1	418.542	1.781	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)N1CCC2(CC1)OCCc1ccsc12)C[NH+]1CCOCC1	ZINC000514422040	1076022716	/nfs/dbraw/zinc/02/27/16/1076022716.db2.gz	LVQZZXQIYXVGLL-INIZCTEOSA-N	1	1	421.563	1.223	20	0		HDADMO
Cc1cccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1	ZINC000052816061	1076028781	/nfs/dbraw/zinc/02/87/81/1076028781.db2.gz	MIRHRVBAIWGKHT-HBMCJLEFSA-N	1	1	403.567	1.857	20	0		HDADMO
Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1	ZINC000052816089	1076028896	/nfs/dbraw/zinc/02/88/96/1076028896.db2.gz	JVXMGHYYUXTFSB-HBMCJLEFSA-N	1	1	403.567	1.857	20	0		HDADMO
COC[C@@]1(C)NC(=O)N(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1=O	ZINC000733290953	1076039483	/nfs/dbraw/zinc/03/94/83/1076039483.db2.gz	DLDNUGFCNVNSJQ-LJQANCHMSA-N	1	1	410.902	1.251	20	0		HDADMO
COc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc(OC)c1OCC(N)=O	ZINC000733329153	1076044961	/nfs/dbraw/zinc/04/49/61/1076044961.db2.gz	OBWDYMPIHBKEBH-KRWDZBQOSA-N	1	1	407.511	1.301	20	0		HDADMO
COc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc(Cl)c1OCC(N)=O	ZINC000733329326	1076045311	/nfs/dbraw/zinc/04/53/11/1076045311.db2.gz	QFEZZLKFVDRGRF-MRXNPFEDSA-N	1	1	411.930	1.946	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000727174824	1076069972	/nfs/dbraw/zinc/06/99/72/1076069972.db2.gz	FYIQCZVJQLLVRZ-OAHLLOKOSA-N	1	1	406.552	1.694	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1	ZINC000727237598	1076087651	/nfs/dbraw/zinc/08/76/51/1076087651.db2.gz	MTLZMLJRZSNYLO-UHFFFAOYSA-N	1	1	408.543	1.448	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1	ZINC000727241022	1076088166	/nfs/dbraw/zinc/08/81/66/1076088166.db2.gz	KRHNWRJWSAPMKD-INIZCTEOSA-N	1	1	414.510	1.997	20	0		HDADMO
S=C(NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1ccc2c(c1)OCCCO2	ZINC000727277818	1076089401	/nfs/dbraw/zinc/08/94/01/1076089401.db2.gz	NVOIQGSDHPMVAU-QGZVFWFLSA-N	1	1	420.579	1.788	20	0		HDADMO
COC(=O)NCCC(=O)OCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1	ZINC000733545173	1076092231	/nfs/dbraw/zinc/09/22/31/1076092231.db2.gz	XWXOFRFWTKKNAK-UHFFFAOYSA-N	1	1	405.495	1.744	20	0		HDADMO
O=C(COC(=O)c1cnn2ccccc12)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000733551402	1076096488	/nfs/dbraw/zinc/09/64/88/1076096488.db2.gz	JTFDULKZYQTMIB-UHFFFAOYSA-N	1	1	400.479	1.642	20	0		HDADMO
C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000727318441	1076096533	/nfs/dbraw/zinc/09/65/33/1076096533.db2.gz	XCRHOWSSPCVTPU-OAHLLOKOSA-N	1	1	418.519	1.460	20	0		HDADMO
CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1	ZINC000727375726	1076100748	/nfs/dbraw/zinc/10/07/48/1076100748.db2.gz	UMCLIONUTLMSNK-LEWJYISDSA-N	1	1	414.550	1.930	20	0		HDADMO
Cn1cc(/C=C/C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(=O)n(C)c1=O	ZINC000727392932	1076111257	/nfs/dbraw/zinc/11/12/57/1076111257.db2.gz	VBDUQJURMQINGF-MDZDMXLPSA-N	1	1	410.518	1.468	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCCO1	ZINC000727438213	1076120652	/nfs/dbraw/zinc/12/06/52/1076120652.db2.gz	ZRNCRCRAIHJSFO-ODZYNRFZSA-N	1	1	407.536	1.242	20	0		HDADMO
Cc1nn(C)cc1C(=O)O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000733606830	1076133293	/nfs/dbraw/zinc/13/32/93/1076133293.db2.gz	WRWACFUCAOLNHT-INIZCTEOSA-N	1	1	400.479	1.422	20	0		HDADMO
CC(C)N(CCC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)C(=O)OC(C)(C)C	ZINC000727486612	1076141656	/nfs/dbraw/zinc/14/16/56/1076141656.db2.gz	NGXCDLUZAKGTOZ-QGZVFWFLSA-N	1	1	410.559	1.963	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1	ZINC000733667967	1076148804	/nfs/dbraw/zinc/14/88/04/1076148804.db2.gz	AGAWJPNKKLYKFA-SFHVURJKSA-N	1	1	402.495	1.958	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)ccc1F	ZINC000727610638	1076181009	/nfs/dbraw/zinc/18/10/09/1076181009.db2.gz	OWVJGYQMHKRMTB-UHFFFAOYSA-N	1	1	409.462	1.085	20	0		HDADMO
CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1C	ZINC000727622428	1076187944	/nfs/dbraw/zinc/18/79/44/1076187944.db2.gz	UPEVRVWHKRCSAC-UHFFFAOYSA-N	1	1	412.538	1.917	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@H]3C3CCC3)C2=O)c1	ZINC000733794494	1076204855	/nfs/dbraw/zinc/20/48/55/1076204855.db2.gz	KURNLALLVAYNRF-UWJYYQICSA-N	1	1	400.479	1.758	20	0		HDADMO
COC(=O)[C@H]1CC12CC[NH+](CN1C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C1=O)CC2	ZINC000733791043	1076208545	/nfs/dbraw/zinc/20/85/45/1076208545.db2.gz	HXPLYFPQHKZAMB-UTKZUKDTSA-N	1	1	415.490	1.781	20	0		HDADMO
COC(=O)[C@H]1CC12CC[NH+](CN1C(=O)C(=O)N(CCC3=CCCCC3)C1=O)CC2	ZINC000733791858	1076208709	/nfs/dbraw/zinc/20/87/09/1076208709.db2.gz	FPROHPBUZYTUJS-MRXNPFEDSA-N	1	1	403.479	1.900	20	0		HDADMO
CCOC[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1	ZINC000733796301	1076216196	/nfs/dbraw/zinc/21/61/96/1076216196.db2.gz	BWJQAYWZVIUIPO-VFNWGFHPSA-N	1	1	418.494	1.242	20	0		HDADMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1	ZINC000733796301	1076216201	/nfs/dbraw/zinc/21/62/01/1076216201.db2.gz	BWJQAYWZVIUIPO-VFNWGFHPSA-N	1	1	418.494	1.242	20	0		HDADMO
CCOC[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1	ZINC000733797378	1076216542	/nfs/dbraw/zinc/21/65/42/1076216542.db2.gz	UWSZPUPYAFTGFL-XMSQKQJNSA-N	1	1	416.522	1.709	20	0		HDADMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1	ZINC000733797378	1076216545	/nfs/dbraw/zinc/21/65/45/1076216545.db2.gz	UWSZPUPYAFTGFL-XMSQKQJNSA-N	1	1	416.522	1.709	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccccc1Cl	ZINC000727752526	1076225516	/nfs/dbraw/zinc/22/55/16/1076225516.db2.gz	QNBUAJPOZHFRHY-NVXWUHKLSA-N	1	1	408.911	1.789	20	0		HDADMO
COc1cc(C(=O)NCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc(OC)c1OC	ZINC000534597995	1076249275	/nfs/dbraw/zinc/24/92/75/1076249275.db2.gz	GQKGJVWXVFYBGL-KRWDZBQOSA-N	1	1	413.474	1.745	20	0		HDADMO
COc1cc(C(=O)NCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc(OC)c1OC	ZINC000534597995	1076249279	/nfs/dbraw/zinc/24/92/79/1076249279.db2.gz	GQKGJVWXVFYBGL-KRWDZBQOSA-N	1	1	413.474	1.745	20	0		HDADMO
CCN(CC)S(=O)(=O)c1c(C)nn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C	ZINC000535120777	1076250125	/nfs/dbraw/zinc/25/01/25/1076250125.db2.gz	LYQMSKBOUOXOQG-GRDNDAEWSA-N	1	1	402.561	1.001	20	0		HDADMO
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000535268216	1076251058	/nfs/dbraw/zinc/25/10/58/1076251058.db2.gz	FQBQRJUAHLOMDH-LJQANCHMSA-N	1	1	410.518	1.906	20	0		HDADMO
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535268216	1076251062	/nfs/dbraw/zinc/25/10/62/1076251062.db2.gz	FQBQRJUAHLOMDH-LJQANCHMSA-N	1	1	410.518	1.906	20	0		HDADMO
C[C@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCN1c1nccn2cnnc12	ZINC000536025835	1076253731	/nfs/dbraw/zinc/25/37/31/1076253731.db2.gz	BLTGGMXADBJKJP-MAUKXSAKSA-N	1	1	406.494	1.531	20	0		HDADMO
C[C@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCN1c1nccn2cnnc12	ZINC000536025835	1076253735	/nfs/dbraw/zinc/25/37/35/1076253735.db2.gz	BLTGGMXADBJKJP-MAUKXSAKSA-N	1	1	406.494	1.531	20	0		HDADMO
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000536037247	1076254766	/nfs/dbraw/zinc/25/47/66/1076254766.db2.gz	VDUKZPPUPAFCTJ-LJQANCHMSA-N	1	1	411.506	1.563	20	0		HDADMO
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000536037247	1076254771	/nfs/dbraw/zinc/25/47/71/1076254771.db2.gz	VDUKZPPUPAFCTJ-LJQANCHMSA-N	1	1	411.506	1.563	20	0		HDADMO
O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000536532030	1076256701	/nfs/dbraw/zinc/25/67/01/1076256701.db2.gz	NAQFTIALLFFVMQ-HOCLYGCPSA-N	1	1	422.455	1.844	20	0		HDADMO
NC(=O)NC(=O)OCCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000733898293	1076258915	/nfs/dbraw/zinc/25/89/15/1076258915.db2.gz	HWBKUMGXDMWLHC-QGZVFWFLSA-N	1	1	404.515	1.111	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1F	ZINC000144431579	1076259946	/nfs/dbraw/zinc/25/99/46/1076259946.db2.gz	RKIZXNHMBNAHSR-UHFFFAOYSA-N	1	1	415.450	1.434	20	0		HDADMO
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1	ZINC000727829991	1076263561	/nfs/dbraw/zinc/26/35/61/1076263561.db2.gz	QDPBLEDBLHJOSL-INIZCTEOSA-N	1	1	419.526	1.051	20	0		HDADMO
COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000727830049	1076263670	/nfs/dbraw/zinc/26/36/70/1076263670.db2.gz	RSZIWLGUAHYXDA-HXUWFJFHSA-N	1	1	424.611	1.367	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)c3csc4cncn43)c2)CC1	ZINC000733931603	1076268489	/nfs/dbraw/zinc/26/84/89/1076268489.db2.gz	FNMDOPUCYOBFHF-UHFFFAOYSA-N	1	1	419.532	1.974	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)c3csc4cncn43)c2)CC1	ZINC000733931603	1076268492	/nfs/dbraw/zinc/26/84/92/1076268492.db2.gz	FNMDOPUCYOBFHF-UHFFFAOYSA-N	1	1	419.532	1.974	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000727865582	1076275447	/nfs/dbraw/zinc/27/54/47/1076275447.db2.gz	ZKLACIXYCMQKJH-CQSZACIVSA-N	1	1	403.932	1.431	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)c2ccccc2NC(=O)c2cccs2)CC1	ZINC000733975228	1076280411	/nfs/dbraw/zinc/28/04/11/1076280411.db2.gz	KURAKSFTUFDDBD-UHFFFAOYSA-N	1	1	400.504	1.894	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COCc2ccccc2)CC1	ZINC000733995253	1076287224	/nfs/dbraw/zinc/28/72/24/1076287224.db2.gz	GPRSKDFDIXHCAG-IEBWSBKVSA-N	1	1	407.511	1.185	20	0		HDADMO
Cc1ccn2ncc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2n1	ZINC000734030806	1076293692	/nfs/dbraw/zinc/29/36/92/1076293692.db2.gz	HAYYXJOOCDMDOA-FUHWJXTLSA-N	1	1	407.474	1.974	20	0		HDADMO
Cc1c(C(=O)OCC(N)=O)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2	ZINC000734041668	1076296781	/nfs/dbraw/zinc/29/67/81/1076296781.db2.gz	AKOKJGBPQXJLDN-UHFFFAOYSA-N	1	1	423.448	1.915	20	0		HDADMO
Cc1c(C(=O)OCC(N)=O)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2	ZINC000734041668	1076296785	/nfs/dbraw/zinc/29/67/85/1076296785.db2.gz	AKOKJGBPQXJLDN-UHFFFAOYSA-N	1	1	423.448	1.915	20	0		HDADMO
Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1C	ZINC001083151616	1076317211	/nfs/dbraw/zinc/31/72/11/1076317211.db2.gz	IUQZWVHUOZAHSX-RTOMLYRKSA-N	1	1	400.519	1.767	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000728072590	1076332572	/nfs/dbraw/zinc/33/25/72/1076332572.db2.gz	DVSNVBYBHUILKU-UONOGXRCSA-N	1	1	422.448	1.209	20	0		HDADMO
Cc1cc(C)c(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)c(C)c1	ZINC000728078474	1076334673	/nfs/dbraw/zinc/33/46/73/1076334673.db2.gz	ZZGWBSULEDQKNJ-RBUKOAKNSA-N	1	1	414.550	1.668	20	0		HDADMO
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CC[NH+](CCc2ccccc2)CC1	ZINC000024622711	1076345879	/nfs/dbraw/zinc/34/58/79/1076345879.db2.gz	WTVLLMFCXXZFFX-UHFFFAOYSA-N	1	1	406.486	1.467	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC3(CC2)OCCc2ccsc23)CC1	ZINC000498166197	1076354020	/nfs/dbraw/zinc/35/40/20/1076354020.db2.gz	LKLVEEKGCBHUFS-UHFFFAOYSA-N	1	1	406.552	1.486	20	0		HDADMO
C[C@@H](NC(=O)N(CCO)CCN1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000498692329	1076355621	/nfs/dbraw/zinc/35/56/21/1076355621.db2.gz	XQIOCNBHYCYBTP-TZIWHRDSSA-N	1	1	404.555	1.233	20	0		HDADMO
C[C@H](NC(=O)N(CCO)CCN1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000498692325	1076355706	/nfs/dbraw/zinc/35/57/06/1076355706.db2.gz	XQIOCNBHYCYBTP-FPOVZHCZSA-N	1	1	404.555	1.233	20	0		HDADMO
COc1ccc(C)cc1C[NH+]1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000027367441	1076359629	/nfs/dbraw/zinc/35/96/29/1076359629.db2.gz	WBYUQXWXSXXPNF-UHFFFAOYSA-N	1	1	419.547	1.848	20	0		HDADMO
COc1ccc(C)cc1CN1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000027367441	1076359632	/nfs/dbraw/zinc/35/96/32/1076359632.db2.gz	WBYUQXWXSXXPNF-UHFFFAOYSA-N	1	1	419.547	1.848	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)c1	ZINC000728173158	1076364318	/nfs/dbraw/zinc/36/43/18/1076364318.db2.gz	PVMJQDUYCXYRNS-UZUQRXQVSA-N	1	1	422.485	1.983	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)c1	ZINC000728173158	1076364324	/nfs/dbraw/zinc/36/43/24/1076364324.db2.gz	PVMJQDUYCXYRNS-UZUQRXQVSA-N	1	1	422.485	1.983	20	0		HDADMO
C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C3OCCO3)CC2)C1	ZINC000728173450	1076364881	/nfs/dbraw/zinc/36/48/81/1076364881.db2.gz	YXKXNBOJMNTSRS-PKOBYXMFSA-N	1	1	407.555	1.711	20	0		HDADMO
C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C3OCCO3)CC2)C1	ZINC000728173450	1076364890	/nfs/dbraw/zinc/36/48/90/1076364890.db2.gz	YXKXNBOJMNTSRS-PKOBYXMFSA-N	1	1	407.555	1.711	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CC[N@@H+](CCOc3ccccc3F)C[C@H]21	ZINC001084540426	1076370277	/nfs/dbraw/zinc/37/02/77/1076370277.db2.gz	BXKFYCUGUMHGSB-BFDCFGGLSA-N	1	1	404.482	1.789	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CC[N@H+](CCOc3ccccc3F)C[C@H]21	ZINC001084540426	1076370297	/nfs/dbraw/zinc/37/02/97/1076370297.db2.gz	BXKFYCUGUMHGSB-BFDCFGGLSA-N	1	1	404.482	1.789	20	0		HDADMO
CN(C(=O)C(F)(F)c1ccccc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729980712	1076404627	/nfs/dbraw/zinc/40/46/27/1076404627.db2.gz	STDDXDUCHUCIPG-UHFFFAOYSA-N	1	1	408.493	1.475	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)C1	ZINC000729980164	1076405071	/nfs/dbraw/zinc/40/50/71/1076405071.db2.gz	MLYXATAJMIDZKU-AMRJIULGSA-N	1	1	400.483	1.215	20	0		HDADMO
CNC(=O)C1(C(=O)OCC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CCC1	ZINC000730044983	1076419462	/nfs/dbraw/zinc/41/94/62/1076419462.db2.gz	CARXLJRSCZYWNI-UHFFFAOYSA-N	1	1	415.534	1.914	20	0		HDADMO
COC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000730083698	1076431428	/nfs/dbraw/zinc/43/14/28/1076431428.db2.gz	TUUVLSPIAUIHIB-SJORKVTESA-N	1	1	411.543	1.460	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Cl	ZINC000730087313	1076441658	/nfs/dbraw/zinc/44/16/58/1076441658.db2.gz	UNHDFPCLPQXQEQ-HZPDHXFCSA-N	1	1	415.943	1.262	20	0		HDADMO
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3c[nH+]ccc3-n3cccn3)C2=O)cc1	ZINC000730088385	1076443298	/nfs/dbraw/zinc/44/32/98/1076443298.db2.gz	DBSHZUJZOITQSS-OAQYLSRUSA-N	1	1	404.430	1.981	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCCC[N@H+]1CCc2ccccc2C1	ZINC000730097125	1076451477	/nfs/dbraw/zinc/45/14/77/1076451477.db2.gz	CGZHWOXGBPCTDK-UHFFFAOYSA-N	1	1	407.518	1.986	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730114151	1076462260	/nfs/dbraw/zinc/46/22/60/1076462260.db2.gz	ICPSJFNDHIIWLC-QGZVFWFLSA-N	1	1	411.591	1.959	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730218193	1076480528	/nfs/dbraw/zinc/48/05/28/1076480528.db2.gz	FURZYZRFDVKBCG-KSSFIOAISA-N	1	1	402.470	1.119	20	0		HDADMO
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000730218267	1076480555	/nfs/dbraw/zinc/48/05/55/1076480555.db2.gz	HGHLERYSZOQZFM-SJORKVTESA-N	1	1	408.543	1.717	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccc(I)o1	ZINC000730227400	1076484642	/nfs/dbraw/zinc/48/46/42/1076484642.db2.gz	DLOMNLUIQGFWTM-RNZFLTOJSA-N	1	1	403.264	1.650	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730262233	1076504189	/nfs/dbraw/zinc/50/41/89/1076504189.db2.gz	PUFCPNWPJVIDTA-IAGOWNOFSA-N	1	1	403.527	1.718	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730262233	1076504195	/nfs/dbraw/zinc/50/41/95/1076504195.db2.gz	PUFCPNWPJVIDTA-IAGOWNOFSA-N	1	1	403.527	1.718	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730263159	1076505427	/nfs/dbraw/zinc/50/54/27/1076505427.db2.gz	PRPLUJHIJWUNHD-GOSISDBHSA-N	1	1	424.586	1.986	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730263159	1076505444	/nfs/dbraw/zinc/50/54/44/1076505444.db2.gz	PRPLUJHIJWUNHD-GOSISDBHSA-N	1	1	424.586	1.986	20	0		HDADMO
O=C(CCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)N1CCOc2ccccc21	ZINC000730277275	1076519552	/nfs/dbraw/zinc/51/95/52/1076519552.db2.gz	LTLNZJZYWRHMQO-SFHVURJKSA-N	1	1	401.507	1.906	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000730381826	1076553312	/nfs/dbraw/zinc/55/33/12/1076553312.db2.gz	AAVGWNMXDZWBBS-DLBZAZTESA-N	1	1	422.551	1.846	20	0		HDADMO
Cn1ccnc1[C@](O)(CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C(F)(F)F	ZINC000730560348	1076594463	/nfs/dbraw/zinc/59/44/63/1076594463.db2.gz	WBJWWDQLNDUVCM-MAUKXSAKSA-N	1	1	417.476	1.189	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000730559716	1076595009	/nfs/dbraw/zinc/59/50/09/1076595009.db2.gz	JQDYTVQVFRRLLY-SJORKVTESA-N	1	1	412.600	1.925	20	0		HDADMO
CC(=O)[C@H]1CC(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)=NN1c1ccccc1	ZINC000730559721	1076595125	/nfs/dbraw/zinc/59/51/25/1076595125.db2.gz	JQRPSWGQSMNBHB-IFMALSPDSA-N	1	1	411.550	1.839	20	0		HDADMO
NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000730571453	1076606288	/nfs/dbraw/zinc/60/62/88/1076606288.db2.gz	RTRSGDKWLIYMLZ-AAEUAGOBSA-N	1	1	412.339	1.238	20	0		HDADMO
NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000730571454	1076606340	/nfs/dbraw/zinc/60/63/40/1076606340.db2.gz	RTRSGDKWLIYMLZ-DGCLKSJQSA-N	1	1	412.339	1.238	20	0		HDADMO
O=C(COC(=O)Cn1ncc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000730636441	1076619625	/nfs/dbraw/zinc/61/96/25/1076619625.db2.gz	WGLDUGGSBBCOGT-UHFFFAOYSA-N	1	1	414.506	1.731	20	0		HDADMO
CN(CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C	ZINC000730774867	1076650792	/nfs/dbraw/zinc/65/07/92/1076650792.db2.gz	DEGDHWXLBFIGEZ-UHFFFAOYSA-N	1	1	404.511	1.314	20	0		HDADMO
COC1CC[NH+](C(C)(C)CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000730789282	1076658913	/nfs/dbraw/zinc/65/89/13/1076658913.db2.gz	KRNPEESRDZZUPV-UHFFFAOYSA-N	1	1	422.551	1.073	20	0		HDADMO
CN(C(=O)CN1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1)C1CCCCC1	ZINC000730939698	1076698503	/nfs/dbraw/zinc/69/85/03/1076698503.db2.gz	KXFGCHUCQYJRKZ-UHFFFAOYSA-N	1	1	422.595	1.285	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(-n4cccn4)nc3)c2)C1	ZINC000730973459	1076702573	/nfs/dbraw/zinc/70/25/73/1076702573.db2.gz	JPHLZTNNQRLXQZ-HXUWFJFHSA-N	1	1	418.501	1.895	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CSc3cccc[n+]3[O-])c2)C1	ZINC000731008766	1076709666	/nfs/dbraw/zinc/70/96/66/1076709666.db2.gz	QYLMEFHLQTZITE-SFHVURJKSA-N	1	1	414.531	1.426	20	0		HDADMO
O=C(C[NH+]1CCC(C(=O)NCCO)CC1)N[C@H](c1nccs1)c1ccccc1	ZINC000731031122	1076714514	/nfs/dbraw/zinc/71/45/14/1076714514.db2.gz	QYQVSSSZCVYVAB-SFHVURJKSA-N	1	1	402.520	1.169	20	0		HDADMO
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl	ZINC000731033646	1076714658	/nfs/dbraw/zinc/71/46/58/1076714658.db2.gz	CSKYNKWRXNYCSM-LLVKDONJSA-N	1	1	412.737	1.887	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl	ZINC000731033646	1076714665	/nfs/dbraw/zinc/71/46/65/1076714665.db2.gz	CSKYNKWRXNYCSM-LLVKDONJSA-N	1	1	412.737	1.887	20	0		HDADMO
CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000731038188	1076716339	/nfs/dbraw/zinc/71/63/39/1076716339.db2.gz	CIYSRRWGQRSXFX-HNNXBMFYSA-N	1	1	404.554	1.120	20	0		HDADMO
COC(=O)CN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1	ZINC000731107811	1076728286	/nfs/dbraw/zinc/72/82/86/1076728286.db2.gz	GPCWREGVRKLHEJ-IBGZPJMESA-N	1	1	415.538	1.587	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)C1	ZINC000731107222	1076728828	/nfs/dbraw/zinc/72/88/28/1076728828.db2.gz	CTJSKPMQCBTNSZ-QGZVFWFLSA-N	1	1	413.522	1.963	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2)C[C@H](C)O1	ZINC000731134616	1076737124	/nfs/dbraw/zinc/73/71/24/1076737124.db2.gz	JYIIXOOEMHTCDV-JTDSTZFVSA-N	1	1	400.523	1.839	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1	ZINC000731159061	1076739204	/nfs/dbraw/zinc/73/92/04/1076739204.db2.gz	CKHLZCVNODDKRX-GUDVDZBRSA-N	1	1	409.644	1.658	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=S)Nc3ccc(C(N)=O)cc3)CC2)CC1	ZINC000731163118	1076740198	/nfs/dbraw/zinc/74/01/98/1076740198.db2.gz	WDXHMERAHQHNII-UHFFFAOYSA-N	1	1	417.579	1.749	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)CC2)CC1	ZINC000731181031	1076745623	/nfs/dbraw/zinc/74/56/23/1076745623.db2.gz	ZKRHXMBAABYOHA-OAQYLSRUSA-N	1	1	412.534	1.972	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(Cn3nc(C(C)(C)C)ccc3=O)CC2)CC1	ZINC000731209640	1076755864	/nfs/dbraw/zinc/75/58/64/1076755864.db2.gz	RHRRBHYBCRLXGD-UHFFFAOYSA-N	1	1	403.571	1.765	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3cccnc3c2N)C1	ZINC000731246669	1076768728	/nfs/dbraw/zinc/76/87/28/1076768728.db2.gz	TXZUCNFMMCBMSD-MRXNPFEDSA-N	1	1	400.479	1.447	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc(N3CCOCC3)n1)CC2	ZINC001164649694	719309087	/nfs/dbraw/zinc/30/90/87/719309087.db2.gz	WHCHNYFXAVRIGZ-UHFFFAOYSA-N	1	1	420.949	1.763	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1)C1CC1	ZINC001164701605	719884570	/nfs/dbraw/zinc/88/45/70/719884570.db2.gz	NWDXAYNQCKYEKP-BHIYHBOVSA-N	1	1	408.506	1.803	20	0		HDADMO
c1csc(CN2CCOC3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)CC3)C2)c1	ZINC001164695714	719888269	/nfs/dbraw/zinc/88/82/69/719888269.db2.gz	SCPCTDPKVRWTHN-UHFFFAOYSA-N	1	1	414.579	1.819	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2	ZINC001164815379	720067560	/nfs/dbraw/zinc/06/75/60/720067560.db2.gz	YWKBDKJPCXRBPU-KSSFIOAISA-N	1	1	414.959	1.718	20	0		HDADMO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCN(C)CC3)nn1)C2	ZINC001164807955	720076018	/nfs/dbraw/zinc/07/60/18/720076018.db2.gz	GPXUTTRLPBWPAM-UGKGYDQZSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCN(C)CC3)nn1)C2	ZINC001164807955	720076025	/nfs/dbraw/zinc/07/60/25/720076025.db2.gz	GPXUTTRLPBWPAM-UGKGYDQZSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2	ZINC001164809968	720119072	/nfs/dbraw/zinc/11/90/72/720119072.db2.gz	IZVCUJYXYIROSD-HNAYVOBHSA-N	1	1	410.540	1.073	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3C(=O)CCC3=O)cn1)C2	ZINC001164812522	720141640	/nfs/dbraw/zinc/14/16/40/720141640.db2.gz	PBNSVUBHEVOSOT-CVDCTZTESA-N	1	1	412.534	1.915	20	0		HDADMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1nnn3C)CC2	ZINC001164713981	720143405	/nfs/dbraw/zinc/14/34/05/720143405.db2.gz	USDCPXHIJYOZTH-KRWDZBQOSA-N	1	1	408.510	1.661	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1	ZINC001164816859	720166218	/nfs/dbraw/zinc/16/62/18/720166218.db2.gz	NFXQOBQOYVXRHO-XLIONFOSSA-N	1	1	408.568	1.565	20	0		HDADMO
COC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc1OC	ZINC001164815166	720214687	/nfs/dbraw/zinc/21/46/87/720214687.db2.gz	WPXMVLNCOYZCQG-UHFFFAOYSA-N	1	1	415.494	1.684	20	0		HDADMO
CCOC(=O)c1cc(C)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164813567	720217515	/nfs/dbraw/zinc/21/75/15/720217515.db2.gz	PMLUHYDSBUUBIX-UHFFFAOYSA-N	1	1	414.510	1.769	20	0		HDADMO
CCOC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cn1	ZINC001164811914	720219869	/nfs/dbraw/zinc/21/98/69/720219869.db2.gz	AKLUJEPAQZMMDK-UHFFFAOYSA-N	1	1	400.483	1.461	20	0		HDADMO
CNC(=O)c1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ccc1Cl	ZINC001164814692	720228288	/nfs/dbraw/zinc/22/82/88/720228288.db2.gz	VCNRHRNTZXSWQN-UHFFFAOYSA-N	1	1	418.929	1.902	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cnccc43)C2)C1	ZINC001164719852	720235872	/nfs/dbraw/zinc/23/58/72/720235872.db2.gz	PRWMIMRVCGOSHM-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cnccc43)C2)C1	ZINC001164719852	720235874	/nfs/dbraw/zinc/23/58/74/720235874.db2.gz	PRWMIMRVCGOSHM-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1	ZINC001164718702	720237664	/nfs/dbraw/zinc/23/76/64/720237664.db2.gz	HFVWRFVYOOTGSP-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1	ZINC001164718702	720237667	/nfs/dbraw/zinc/23/76/67/720237667.db2.gz	HFVWRFVYOOTGSP-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164813886	720242181	/nfs/dbraw/zinc/24/21/81/720242181.db2.gz	QVWQRHGCYTVXRY-UHFFFAOYSA-N	1	1	420.901	1.724	20	0		HDADMO
CCOC(=O)c1cc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)ncc1C	ZINC001164720479	720255562	/nfs/dbraw/zinc/25/55/62/720255562.db2.gz	XDMPYDSNHPLLMQ-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1cc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ncc1C	ZINC001164720479	720255574	/nfs/dbraw/zinc/25/55/74/720255574.db2.gz	XDMPYDSNHPLLMQ-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOCc1cnc(Cl)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2	ZINC001164723224	720275711	/nfs/dbraw/zinc/27/57/11/720275711.db2.gz	UWGHYVDSGKIWDF-IBGZPJMESA-N	1	1	411.934	1.331	20	0		HDADMO
CCOCc1cnc(Cl)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2	ZINC001164723224	720275731	/nfs/dbraw/zinc/27/57/31/720275731.db2.gz	UWGHYVDSGKIWDF-IBGZPJMESA-N	1	1	411.934	1.331	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)C1	ZINC001164723717	720288161	/nfs/dbraw/zinc/28/81/61/720288161.db2.gz	XCJUFKLQTLMORC-QFIPXVFZSA-N	1	1	416.570	1.378	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)C1	ZINC001164723717	720288164	/nfs/dbraw/zinc/28/81/64/720288164.db2.gz	XCJUFKLQTLMORC-QFIPXVFZSA-N	1	1	416.570	1.378	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CNCC3)CC1	ZINC001164819486	720289456	/nfs/dbraw/zinc/28/94/56/720289456.db2.gz	QXOMBABMJKLEER-MSOLQXFVSA-N	1	1	418.973	1.687	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4scc(C)c43)C2)C1	ZINC001164721451	720297829	/nfs/dbraw/zinc/29/78/29/720297829.db2.gz	JQYFXPZNEFZESW-FQEVSTJZSA-N	1	1	403.552	1.973	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4scc(C)c43)C2)C1	ZINC001164721451	720297835	/nfs/dbraw/zinc/29/78/35/720297835.db2.gz	JQYFXPZNEFZESW-FQEVSTJZSA-N	1	1	403.552	1.973	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)n2)CC1	ZINC001164732773	720503289	/nfs/dbraw/zinc/50/32/89/720503289.db2.gz	XCJOZTXTZAHAFU-PGRDOPGGSA-N	1	1	423.521	1.248	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3S(N)(=O)=O)CC[C@@H]21	ZINC001164834937	720515001	/nfs/dbraw/zinc/51/50/01/720515001.db2.gz	INLFEXSBGPMMPB-ULQDDVLXSA-N	1	1	404.540	1.303	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(S(N)(=O)=O)cn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164834273	720533541	/nfs/dbraw/zinc/53/35/41/720533541.db2.gz	DFLKNODLXHMISL-XYJFISCASA-N	1	1	404.540	1.303	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccnc(N4CCOCC4)n3)CC[C@@H]21	ZINC001164836797	720567915	/nfs/dbraw/zinc/56/79/15/720567915.db2.gz	KYFGBRRLUWGDHY-AABGKKOBSA-N	1	1	411.554	1.888	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12	ZINC001164740794	720650014	/nfs/dbraw/zinc/65/00/14/720650014.db2.gz	JAIRURCOLNXXQO-KGLIPLIRSA-N	1	1	409.450	1.267	20	0		HDADMO
CC(C)(C)OC(=O)Nc1nccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164738097	720666695	/nfs/dbraw/zinc/66/66/95/720666695.db2.gz	IJLMVOAOJRUZSP-HUUCEWRRSA-N	1	1	413.482	1.956	20	0		HDADMO
CCOC(=O)c1cc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2[nH]1	ZINC001164737581	720677512	/nfs/dbraw/zinc/67/75/12/720677512.db2.gz	GJSIPIMGDBNSNK-JKSUJKDBSA-N	1	1	408.462	1.872	20	0		HDADMO
Clc1ncc(N2CCOCC2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164741990	720702065	/nfs/dbraw/zinc/70/20/65/720702065.db2.gz	VDHHAMCECQPCCK-CABCVRRESA-N	1	1	417.901	1.099	20	0		HDADMO
COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164751938	720804143	/nfs/dbraw/zinc/80/41/43/720804143.db2.gz	YGUPTZAZVJBMTG-RYUDHWBXSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164751938	720804144	/nfs/dbraw/zinc/80/41/44/720804144.db2.gz	YGUPTZAZVJBMTG-RYUDHWBXSA-N	1	1	412.828	1.815	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@@H]43)c2)CC1	ZINC001164847299	720822835	/nfs/dbraw/zinc/82/28/35/720822835.db2.gz	ITRDNOMJLGDBGT-UFYCRDLUSA-N	1	1	416.522	1.845	20	0		HDADMO
COC(=O)Cc1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164742602	720825759	/nfs/dbraw/zinc/82/57/59/720825759.db2.gz	QBRZVCSSXVMELX-YSIASYRMSA-N	1	1	410.522	1.768	20	0		HDADMO
C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164747828	720833487	/nfs/dbraw/zinc/83/34/87/720833487.db2.gz	RSOMONKAMYKFOX-PQEBFOHHSA-N	1	1	408.510	1.503	20	0		HDADMO
CN(C)c1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2nc[nH]c21	ZINC001164748265	720835008	/nfs/dbraw/zinc/83/50/08/720835008.db2.gz	SUVOCBFXGCGSGT-YESZJQIVSA-N	1	1	422.541	1.390	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164851463	720836470	/nfs/dbraw/zinc/83/64/70/720836470.db2.gz	HNFOVAVMKKVVJE-APWZRJJASA-N	1	1	414.506	1.980	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc4ccc(C(=O)OC)cc4n3)CC[C@@H]2C1	ZINC001164856408	720839492	/nfs/dbraw/zinc/83/94/92/720839492.db2.gz	WEGSXRCHBJKGQB-MJGOQNOKSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)CC[C@@H]2C1	ZINC001164853278	720841176	/nfs/dbraw/zinc/84/11/76/720841176.db2.gz	NUIFXBMAZANNTK-CVEARBPZSA-N	1	1	407.515	1.997	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164743536	720843190	/nfs/dbraw/zinc/84/31/90/720843190.db2.gz	IYEHJVBLLKSJPP-ZHALLVOQSA-N	1	1	416.551	1.456	20	0		HDADMO
CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164743906	720843597	/nfs/dbraw/zinc/84/35/97/720843597.db2.gz	JXSIOVUKQUVKCR-GVDBMIGSSA-N	1	1	422.537	1.677	20	0		HDADMO
CN(C)C(=O)c1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164739969	720849457	/nfs/dbraw/zinc/84/94/57/720849457.db2.gz	BEPSHDGYQKTAIF-ZIFCJYIRSA-N	1	1	410.526	1.149	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)cc1OCC	ZINC001164856904	720853246	/nfs/dbraw/zinc/85/32/46/720853246.db2.gz	PWOGHEBDNSQGFT-LPHOPBHVSA-N	1	1	407.511	1.831	20	0		HDADMO
CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1	ZINC001164856671	720854710	/nfs/dbraw/zinc/85/47/10/720854710.db2.gz	OVJPJMTWKJQYNV-WMZOPIPTSA-N	1	1	404.511	1.704	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)n1	ZINC001164753569	720861103	/nfs/dbraw/zinc/86/11/03/720861103.db2.gz	YCZQLNKHJQMACZ-ZIFCJYIRSA-N	1	1	422.537	1.424	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)[nH]c-2n1	ZINC001164853600	720866187	/nfs/dbraw/zinc/86/61/87/720866187.db2.gz	HVACNGXTFIMSSI-SJLPKXTDSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)nc2[nH]1	ZINC001164853600	720866192	/nfs/dbraw/zinc/86/61/92/720866192.db2.gz	HVACNGXTFIMSSI-SJLPKXTDSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)nc2[nH]1	ZINC001164853600	720866194	/nfs/dbraw/zinc/86/61/94/720866194.db2.gz	HVACNGXTFIMSSI-SJLPKXTDSA-N	1	1	402.495	1.913	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc(Cl)c(C(=O)OC)c3OC)CC[C@@H]2C1	ZINC001164862190	720870480	/nfs/dbraw/zinc/87/04/80/720870480.db2.gz	ZKIDVKKICGVBNF-HIFRSBDPSA-N	1	1	413.902	1.704	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)CC[C@H]2C1	ZINC001164864767	720875460	/nfs/dbraw/zinc/87/54/60/720875460.db2.gz	XCBGXCZFZWMIBQ-KBPBESRZSA-N	1	1	406.861	1.771	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC[C@H]2C1	ZINC001164860606	720875647	/nfs/dbraw/zinc/87/56/47/720875647.db2.gz	OYOBNWYXYQIVDM-PKOBYXMFSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@H]2C1	ZINC001164865292	720877119	/nfs/dbraw/zinc/87/71/19/720877119.db2.gz	ZSMFXYCYZIKQQR-RYUDHWBXSA-N	1	1	416.860	1.676	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(C3)CCN(C(=O)c3cccnc3)CC4)n2)CC1	ZINC001164857779	720894835	/nfs/dbraw/zinc/89/48/35/720894835.db2.gz	JUKKVCCCXIOISA-UHFFFAOYSA-N	1	1	421.549	1.756	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)c4ccno4)[C@@H]3C2)nc1)C1CC1	ZINC001164859091	720912976	/nfs/dbraw/zinc/91/29/76/720912976.db2.gz	OOYWBYPZMOEEQJ-YVWKXTFCSA-N	1	1	411.506	1.935	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1	ZINC001164867057	721051569	/nfs/dbraw/zinc/05/15/69/721051569.db2.gz	HDVBQNQHCSURJD-VQTJNVASSA-N	1	1	409.538	1.103	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1	ZINC001164867057	721051574	/nfs/dbraw/zinc/05/15/74/721051574.db2.gz	HDVBQNQHCSURJD-VQTJNVASSA-N	1	1	409.538	1.103	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865201	721080295	/nfs/dbraw/zinc/08/02/95/721080295.db2.gz	JLYWLEJLQJPPNJ-IRXDYDNUSA-N	1	1	413.478	1.537	20	0		HDADMO
COC(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1C(=O)OC	ZINC001164768311	721085978	/nfs/dbraw/zinc/08/59/78/721085978.db2.gz	MTQVQUZEZGKMKA-HOTGVXAUSA-N	1	1	413.478	1.347	20	0		HDADMO
O=C1NCc2c1c(N1CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C1)nc(Cl)c2F	ZINC001164865614	721099047	/nfs/dbraw/zinc/09/90/47/721099047.db2.gz	NMQOYRSCECPXRH-KBPBESRZSA-N	1	1	417.872	1.992	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(S(N)(=O)=O)cc4Cl)C[C@@H]3C2)cn1	ZINC001164764103	721114722	/nfs/dbraw/zinc/11/47/22/721114722.db2.gz	GZJBEOCMLAEWTQ-KBPBESRZSA-N	1	1	410.931	1.074	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5c(n4)N4CCC[C@H]4C(=O)N5C)C[C@H]3C2)cn1	ZINC001164774184	721140510	/nfs/dbraw/zinc/14/05/10/721140510.db2.gz	ZYOOSAJQJIHEDM-KSZLIROESA-N	1	1	422.537	1.114	20	0		HDADMO
CN1CCN(c2nccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1	ZINC001164879870	721167003	/nfs/dbraw/zinc/16/70/03/721167003.db2.gz	UWKHPQNFOYOQCE-UXHICEINSA-N	1	1	409.538	1.103	20	0		HDADMO
NS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879927	721170042	/nfs/dbraw/zinc/17/00/42/721170042.db2.gz	VJYFTHPPKRXEKH-HUUCEWRRSA-N	1	1	423.926	1.257	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164867461	721196379	/nfs/dbraw/zinc/19/63/79/721196379.db2.gz	GHKJTQPFWLYJMM-JKSUJKDBSA-N	1	1	416.913	1.754	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C(=O)NC5CCCC5)nn4)C[C@H]3C2)cn1	ZINC001164768316	721221043	/nfs/dbraw/zinc/22/10/43/721221043.db2.gz	KURPYBKAIPQHLZ-QZTJIDSGSA-N	1	1	409.538	1.841	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1	ZINC001164877277	721262447	/nfs/dbraw/zinc/26/24/47/721262447.db2.gz	QKEXKOSWAVGXHQ-UHFFFAOYSA-N	1	1	404.511	1.265	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nccc(Cl)n3)CC2)C1	ZINC001164869398	721264241	/nfs/dbraw/zinc/26/42/41/721264241.db2.gz	NKWGCQBQCZPSCH-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4cccc(F)c43)CC2)C1	ZINC001164874479	721275660	/nfs/dbraw/zinc/27/56/60/721275660.db2.gz	SIBJLWNVMKNTEO-UHFFFAOYSA-N	1	1	401.486	1.776	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccnc3OC3CCC3)CC2)C1	ZINC001164877775	721290182	/nfs/dbraw/zinc/29/01/82/721290182.db2.gz	OONWYLHSCXPFEV-UHFFFAOYSA-N	1	1	403.527	1.415	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccnc(-c4nccs4)n3)CC2)C1	ZINC001164873863	721293031	/nfs/dbraw/zinc/29/30/31/721293031.db2.gz	CDEUVZUGFVYTMA-UHFFFAOYSA-N	1	1	416.551	1.607	20	0		HDADMO
Cc1ccc(N2CCO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]32)nn1	ZINC001164777248	721313859	/nfs/dbraw/zinc/31/38/59/721313859.db2.gz	SFELHUIQAAPCNQ-PMACEKPBSA-N	1	1	410.522	1.747	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(N)=O)nn3)C2)C1	ZINC001164778600	721339494	/nfs/dbraw/zinc/33/94/94/721339494.db2.gz	NJLNPMYGARUOQQ-HXUWFJFHSA-N	1	1	400.483	1.299	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(N)=O)nn3)C2)C1	ZINC001164778600	721339499	/nfs/dbraw/zinc/33/94/99/721339499.db2.gz	NJLNPMYGARUOQQ-HXUWFJFHSA-N	1	1	400.483	1.299	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164883866	721414417	/nfs/dbraw/zinc/41/44/17/721414417.db2.gz	CBKKJLXLGAXKGO-YWZLYKJASA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC5CC5)cn4)C3)O2)CC1	ZINC001164891495	721416586	/nfs/dbraw/zinc/41/65/86/721416586.db2.gz	WMPGFVQOEWTHLX-NFBKMPQASA-N	1	1	413.566	1.739	20	0		HDADMO
CCOC(=O)c1ncnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C	ZINC001164885781	721417060	/nfs/dbraw/zinc/41/70/60/721417060.db2.gz	HJEYPHDIYDFWKE-GCJKJVERSA-N	1	1	417.554	1.727	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)C3)O2)CC1	ZINC001164890483	721422151	/nfs/dbraw/zinc/42/21/51/721422151.db2.gz	STWLCSJRFJIMGY-IFXJQAMLSA-N	1	1	405.934	1.772	20	0		HDADMO
O=S(=O)(c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1)N1CCCC1	ZINC001164784808	721426776	/nfs/dbraw/zinc/42/67/76/721426776.db2.gz	MMCJIMLGNAAAEL-HOTGVXAUSA-N	1	1	419.576	1.891	20	0		HDADMO
COc1cnc2c(c1)ncnc2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164895433	721428266	/nfs/dbraw/zinc/42/82/66/721428266.db2.gz	PASIBPAHAGOTSZ-JTSKRJEESA-N	1	1	412.538	1.799	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(Cn5cncn5)cn4)C3)O2)CC1	ZINC001164899376	721434844	/nfs/dbraw/zinc/43/48/44/721434844.db2.gz	YIZURXCASYTBJI-UNMCSNQZSA-N	1	1	411.554	1.487	20	0		HDADMO
CCOC(=O)c1nccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164899838	721438982	/nfs/dbraw/zinc/43/89/82/721438982.db2.gz	ZGKZNNCKOCAOPB-DYESRHJHSA-N	1	1	403.527	1.419	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164893671	721442222	/nfs/dbraw/zinc/44/22/22/721442222.db2.gz	JXMLSFRTGJWIBD-MGPUTAFESA-N	1	1	423.945	1.682	20	0		HDADMO
COc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2c1ccn2C	ZINC001164889148	721448487	/nfs/dbraw/zinc/44/84/87/721448487.db2.gz	NYFHQPGKVWPMDI-JTSKRJEESA-N	1	1	414.554	1.742	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC)ncn1)CC2	ZINC001164786714	721458606	/nfs/dbraw/zinc/45/86/06/721458606.db2.gz	PGIZWHVDOAGRFZ-SFHVURJKSA-N	1	1	418.538	1.997	20	0		HDADMO
CN1CCN(c2cccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)n2)CC1	ZINC001164790541	721484091	/nfs/dbraw/zinc/48/40/91/721484091.db2.gz	FSMFVRSWXZLILR-QRVBRYPASA-N	1	1	409.538	1.386	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164903053	721543159	/nfs/dbraw/zinc/54/31/59/721543159.db2.gz	BYKUBENGDUGQMC-RDJZCZTQSA-N	1	1	406.483	1.471	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@H]2CCCO[C@@H]12	ZINC001164808424	721546001	/nfs/dbraw/zinc/54/60/01/721546001.db2.gz	SBQVLTPKIMMIEP-ZMSDIMECSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@H]2CCCO[C@@H]12	ZINC001164808424	721546006	/nfs/dbraw/zinc/54/60/06/721546006.db2.gz	SBQVLTPKIMMIEP-ZMSDIMECSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@H]2CCCO[C@H]12	ZINC001164804511	721546221	/nfs/dbraw/zinc/54/62/21/721546221.db2.gz	KBHIKVQXCJVQQK-VBQJREDUSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@H]2CCCO[C@H]12	ZINC001164804511	721546226	/nfs/dbraw/zinc/54/62/26/721546226.db2.gz	KBHIKVQXCJVQQK-VBQJREDUSA-N	1	1	402.886	1.492	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)c1	ZINC001164905969	721567165	/nfs/dbraw/zinc/56/71/65/721567165.db2.gz	IGGYYNOXKOKDMZ-ZFWWWQNUSA-N	1	1	410.446	1.349	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164799705	721568776	/nfs/dbraw/zinc/56/87/76/721568776.db2.gz	DGEWATXSNORXGB-SLFFLAALSA-N	1	1	411.506	1.978	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164799705	721568778	/nfs/dbraw/zinc/56/87/78/721568778.db2.gz	DGEWATXSNORXGB-SLFFLAALSA-N	1	1	411.506	1.978	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164799704	721568999	/nfs/dbraw/zinc/56/89/99/721568999.db2.gz	DGEWATXSNORXGB-HSALFYBXSA-N	1	1	411.506	1.978	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164799704	721569001	/nfs/dbraw/zinc/56/90/01/721569001.db2.gz	DGEWATXSNORXGB-HSALFYBXSA-N	1	1	411.506	1.978	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@@H]2CCCO[C@@H]12	ZINC001164800745	721584543	/nfs/dbraw/zinc/58/45/43/721584543.db2.gz	CQUPDBPAAHASQP-SFHLNBCPSA-N	1	1	408.506	1.632	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@@H]2CCCO[C@@H]12	ZINC001164800745	721584546	/nfs/dbraw/zinc/58/45/46/721584546.db2.gz	CQUPDBPAAHASQP-SFHLNBCPSA-N	1	1	408.506	1.632	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1	ZINC001164926083	721856723	/nfs/dbraw/zinc/85/67/23/721856723.db2.gz	HDHDSTMFJDNMJE-CABCVRRESA-N	1	1	403.556	1.138	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1	ZINC001164926083	721856724	/nfs/dbraw/zinc/85/67/24/721856724.db2.gz	HDHDSTMFJDNMJE-CABCVRRESA-N	1	1	403.556	1.138	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)CC1	ZINC001164923086	721870851	/nfs/dbraw/zinc/87/08/51/721870851.db2.gz	HYNNTCVRASHSDM-RTBURBONSA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)CC1	ZINC001164923086	721870852	/nfs/dbraw/zinc/87/08/52/721870852.db2.gz	HYNNTCVRASHSDM-RTBURBONSA-N	1	1	416.570	1.471	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)CC1	ZINC001164927004	721872324	/nfs/dbraw/zinc/87/23/24/721872324.db2.gz	UGACTFVMFRFOPB-ROUUACIJSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)CC1	ZINC001164927004	721872325	/nfs/dbraw/zinc/87/23/25/721872325.db2.gz	UGACTFVMFRFOPB-ROUUACIJSA-N	1	1	402.543	1.081	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164935106	721881467	/nfs/dbraw/zinc/88/14/67/721881467.db2.gz	VZRLUGKHODHHBI-QZTJIDSGSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164935106	721881469	/nfs/dbraw/zinc/88/14/69/721881469.db2.gz	VZRLUGKHODHHBI-QZTJIDSGSA-N	1	1	409.600	1.763	20	0		HDADMO
c1ccc(CC[NH+]2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)nc1	ZINC001165055249	722017114	/nfs/dbraw/zinc/01/71/14/722017114.db2.gz	NOSQVZIFIRPQDU-UHFFFAOYSA-N	1	1	408.554	1.832	20	0		HDADMO
c1cc(C[N@H+]2CCOCC3(CCN(c4cc(N5CCOCC5)ncn4)CC3)C2)ccn1	ZINC001164961906	722052902	/nfs/dbraw/zinc/05/29/02/722052902.db2.gz	XZWYMEYBNJPEIK-UHFFFAOYSA-N	1	1	424.549	1.827	20	0		HDADMO
c1ncn(-c2cncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)n1	ZINC001164960685	722060499	/nfs/dbraw/zinc/06/04/99/722060499.db2.gz	HOWSSSBSECIHIX-UHFFFAOYSA-N	1	1	406.494	1.571	20	0		HDADMO
NC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164981796	722102888	/nfs/dbraw/zinc/10/28/88/722102888.db2.gz	MKSKVSYODNMXRR-YJBOKZPZSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164984375	722103617	/nfs/dbraw/zinc/10/36/17/722103617.db2.gz	SWZWRTREIVSBGU-CRAIPNDOSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164981279	722106873	/nfs/dbraw/zinc/10/68/73/722106873.db2.gz	KXPCTLHGIXQQDQ-ZBFHGGJFSA-N	1	1	402.886	1.351	20	0		HDADMO
NC(=O)c1nc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164971041	722125465	/nfs/dbraw/zinc/12/54/65/722125465.db2.gz	BDTSVNKZSVLXCB-HUUCEWRRSA-N	1	1	402.886	1.351	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1	ZINC001164981469	722131344	/nfs/dbraw/zinc/13/13/44/722131344.db2.gz	ORZZWLIGRSSTIY-QUCCMNQESA-N	1	1	411.506	1.705	20	0		HDADMO
c1ncn(Cc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)n1	ZINC001164977029	722141379	/nfs/dbraw/zinc/14/13/79/722141379.db2.gz	HUCUWBQSJIDWBK-RTWAWAEBSA-N	1	1	405.506	1.844	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1	ZINC001164984901	722148253	/nfs/dbraw/zinc/14/82/53/722148253.db2.gz	YJAKTWMCEGGFFL-FXAWDEMLSA-N	1	1	408.506	1.491	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC001164978937	722148425	/nfs/dbraw/zinc/14/84/25/722148425.db2.gz	LCDQANCKPPHASV-WOJBJXKFSA-N	1	1	411.506	1.837	20	0		HDADMO
NC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)n1	ZINC001164971690	722158061	/nfs/dbraw/zinc/15/80/61/722158061.db2.gz	DACJLNKZOZZCOM-HKUYNNGSSA-N	1	1	408.506	1.575	20	0		HDADMO
CCOC(=O)/C=C\c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996992	722229706	/nfs/dbraw/zinc/22/97/06/722229706.db2.gz	LOKOOPHCDWHXMP-SREVYHEPSA-N	1	1	422.533	1.805	20	0		HDADMO
CSc1nc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164997040	722231964	/nfs/dbraw/zinc/23/19/64/722231964.db2.gz	MLBGKQQRYIUCDM-UHFFFAOYSA-N	1	1	406.947	1.394	20	0		HDADMO
C[C@H]1CC(=O)Nc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c21	ZINC001164997157	722233952	/nfs/dbraw/zinc/23/39/52/722233952.db2.gz	MQYRPTPRMRWYOX-AWEZNQCLSA-N	1	1	408.510	1.069	20	0		HDADMO
CCOc1c(Cl)ncnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996288	722234283	/nfs/dbraw/zinc/23/42/83/722234283.db2.gz	AZGLNYQFQFCEGZ-UHFFFAOYSA-N	1	1	403.918	1.676	20	0		HDADMO
COc1ccc2nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ncc2c1	ZINC001164996380	722234653	/nfs/dbraw/zinc/23/46/53/722234653.db2.gz	FEPPPBSHAMTLTC-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
COC(=O)C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000429046406	1073462521	/nfs/dbraw/zinc/46/25/21/1073462521.db2.gz	NJCJXIBVQAOVHM-OALUTQOASA-N	1	1	405.495	1.251	20	0		HDADMO
Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1S(N)(=O)=O	ZINC000673639273	1073468291	/nfs/dbraw/zinc/46/82/91/1073468291.db2.gz	XYWMQANFSXEFHG-UHFFFAOYSA-N	1	1	402.520	1.642	20	0		HDADMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)CCOc1ccccc1I	ZINC001299281226	1073469875	/nfs/dbraw/zinc/46/98/75/1073469875.db2.gz	LPNDTOUMWWESMO-ZDUSSCGKSA-N	1	1	418.275	1.585	20	0		HDADMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCOc1ccccc1I	ZINC001299281226	1073469879	/nfs/dbraw/zinc/46/98/79/1073469879.db2.gz	LPNDTOUMWWESMO-ZDUSSCGKSA-N	1	1	418.275	1.585	20	0		HDADMO
O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000673643133	1073488456	/nfs/dbraw/zinc/48/84/56/1073488456.db2.gz	LYZQMHLYDYUIBM-XXBNENTESA-N	1	1	408.502	1.896	20	0		HDADMO
CC(=O)N[C@](C)(C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccc(S(C)(=O)=O)cc1	ZINC001299281580	1073493244	/nfs/dbraw/zinc/49/32/44/1073493244.db2.gz	PJVTWBBNWDVTLK-PXNSSMCTSA-N	1	1	409.552	1.383	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1	ZINC000429062644	1073497396	/nfs/dbraw/zinc/49/73/96/1073497396.db2.gz	UXXSEGPIDNYFSB-PKOBYXMFSA-N	1	1	409.552	1.732	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)[C@H]1c1cccs1	ZINC000509100254	1073523804	/nfs/dbraw/zinc/52/38/04/1073523804.db2.gz	PUIGGOQZMRCLFV-YCPHGPKFSA-N	1	1	401.554	1.244	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)nn1	ZINC000429080990	1073525753	/nfs/dbraw/zinc/52/57/53/1073525753.db2.gz	DWEGIHZQISRAAP-UHFFFAOYSA-N	1	1	401.402	1.084	20	0		HDADMO
O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625188456	1073553819	/nfs/dbraw/zinc/55/38/19/1073553819.db2.gz	IHWMHFNUELKTTD-GOSISDBHSA-N	1	1	413.526	1.054	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccccc1F)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625189595	1073555450	/nfs/dbraw/zinc/55/54/50/1073555450.db2.gz	NEZJKYYNWPYGCO-INIZCTEOSA-N	1	1	413.515	1.207	20	0		HDADMO
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625192155	1073559009	/nfs/dbraw/zinc/55/90/09/1073559009.db2.gz	UODIQSLXRAESOT-LJQANCHMSA-N	1	1	421.563	1.798	20	0		HDADMO
CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1	ZINC001299283306	1073590322	/nfs/dbraw/zinc/59/03/22/1073590322.db2.gz	ZLHFNMPYRPPLAT-GOSISDBHSA-N	1	1	421.590	1.439	20	0		HDADMO
CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668859	1073623183	/nfs/dbraw/zinc/62/31/83/1073623183.db2.gz	BFRLDPVITNZQCO-UYAOXDASSA-N	1	1	412.534	1.132	20	0		HDADMO
CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668859	1073623187	/nfs/dbraw/zinc/62/31/87/1073623187.db2.gz	BFRLDPVITNZQCO-UYAOXDASSA-N	1	1	412.534	1.132	20	0		HDADMO
CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673707202	1073646869	/nfs/dbraw/zinc/64/68/69/1073646869.db2.gz	OUZHJVRQLPYTQR-CYBMUJFWSA-N	1	1	421.489	1.710	20	0		HDADMO
CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H](Cn2cccn2)c2ccccc2)c(=O)[nH]c1=O	ZINC000673713291	1073652731	/nfs/dbraw/zinc/65/27/31/1073652731.db2.gz	MVKIZUXGFXNFNC-MRXNPFEDSA-N	1	1	410.478	1.597	20	0		HDADMO
CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1	ZINC000673713794	1073653665	/nfs/dbraw/zinc/65/36/65/1073653665.db2.gz	GCPIZOIWFYKFEK-VXKWHMMOSA-N	1	1	402.583	1.666	20	0		HDADMO
CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1	ZINC000673713794	1073653670	/nfs/dbraw/zinc/65/36/70/1073653670.db2.gz	GCPIZOIWFYKFEK-VXKWHMMOSA-N	1	1	402.583	1.666	20	0		HDADMO
CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000673730101	1073663454	/nfs/dbraw/zinc/66/34/54/1073663454.db2.gz	JENYEEOBLWZSBS-QFIPXVFZSA-N	1	1	420.513	1.919	20	0		HDADMO
COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c(OC)c1	ZINC000028726149	1073671858	/nfs/dbraw/zinc/67/18/58/1073671858.db2.gz	CDJBWCJTHYAASA-LJQANCHMSA-N	1	1	418.538	1.073	20	0		HDADMO
COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c(OC)c1	ZINC000028726149	1073671865	/nfs/dbraw/zinc/67/18/65/1073671865.db2.gz	CDJBWCJTHYAASA-LJQANCHMSA-N	1	1	418.538	1.073	20	0		HDADMO
O=C(Cn1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1)NC1CCCCC1	ZINC000673740705	1073675703	/nfs/dbraw/zinc/67/57/03/1073675703.db2.gz	IGZXZBXNPWJYPO-RBUKOAKNSA-N	1	1	403.527	1.003	20	0		HDADMO
CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)C1=O	ZINC000946691082	1073688346	/nfs/dbraw/zinc/68/83/46/1073688346.db2.gz	XKRDMSCMJLINCW-JMCQKSGCSA-N	1	1	401.551	1.590	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)NCC(C)(C)N1CCOCC1	ZINC000673757442	1073692271	/nfs/dbraw/zinc/69/22/71/1073692271.db2.gz	QFELFDYOUALJCL-HXUWFJFHSA-N	1	1	402.583	1.810	20	0		HDADMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1	ZINC000429120553	1073693666	/nfs/dbraw/zinc/69/36/66/1073693666.db2.gz	HFFCXQJHCVCSFS-AWEZNQCLSA-N	1	1	406.483	1.498	20	0		HDADMO
C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673758487	1073698478	/nfs/dbraw/zinc/69/84/78/1073698478.db2.gz	RJVWUQYIQHUFGK-WSTZPKSXSA-N	1	1	407.580	1.617	20	0		HDADMO
C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673758487	1073698484	/nfs/dbraw/zinc/69/84/84/1073698484.db2.gz	RJVWUQYIQHUFGK-WSTZPKSXSA-N	1	1	407.580	1.617	20	0		HDADMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1	ZINC000509135746	1073700098	/nfs/dbraw/zinc/70/00/98/1073700098.db2.gz	GVWHAVDIZFTXTL-LJQANCHMSA-N	1	1	409.552	1.354	20	0		HDADMO
C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C[NH+]1CCOCC1	ZINC000509144493	1073719843	/nfs/dbraw/zinc/71/98/43/1073719843.db2.gz	YSQQIECZMRLMHH-DKSSEZFCSA-N	1	1	408.930	1.879	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)C[C@@H](C)O1	ZINC000509144686	1073729438	/nfs/dbraw/zinc/72/94/38/1073729438.db2.gz	RNHAGIFZAIAAFW-QCFAMHMHSA-N	1	1	417.550	1.717	20	0		HDADMO
CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)c2C1	ZINC000673785731	1073730499	/nfs/dbraw/zinc/73/04/99/1073730499.db2.gz	YBLWTRQBAKJBAG-SFHVURJKSA-N	1	1	400.523	1.674	20	0		HDADMO
CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)c2C1	ZINC000673785731	1073730506	/nfs/dbraw/zinc/73/05/06/1073730506.db2.gz	YBLWTRQBAKJBAG-SFHVURJKSA-N	1	1	400.523	1.674	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc21	ZINC000673785991	1073731753	/nfs/dbraw/zinc/73/17/53/1073731753.db2.gz	JQKQRBWWFOOOTB-KRWDZBQOSA-N	1	1	413.522	1.812	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc21	ZINC000673785992	1073732439	/nfs/dbraw/zinc/73/24/39/1073732439.db2.gz	JQKQRBWWFOOOTB-QGZVFWFLSA-N	1	1	413.522	1.812	20	0		HDADMO
COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1	ZINC000028987686	1073738801	/nfs/dbraw/zinc/73/88/01/1073738801.db2.gz	MKHIKLIPXOKRPS-UHFFFAOYSA-N	1	1	415.412	1.827	20	0		HDADMO
CC(C)c1nc(S(=O)(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c[nH]1	ZINC000673821967	1073767063	/nfs/dbraw/zinc/76/70/63/1073767063.db2.gz	XXZAMUQGNGGSMC-QGZVFWFLSA-N	1	1	419.551	1.709	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCN2c2ncccn2)CC1	ZINC000673831080	1073788977	/nfs/dbraw/zinc/78/89/77/1073788977.db2.gz	GLPBZAIPNRVJGB-OAQYLSRUSA-N	1	1	408.550	1.899	20	0		HDADMO
CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000673831170	1073789557	/nfs/dbraw/zinc/78/95/57/1073789557.db2.gz	QHVKARUNYXKSBT-SFHVURJKSA-N	1	1	412.531	1.131	20	0		HDADMO
CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000673831170	1073789562	/nfs/dbraw/zinc/78/95/62/1073789562.db2.gz	QHVKARUNYXKSBT-SFHVURJKSA-N	1	1	412.531	1.131	20	0		HDADMO
O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000057137898	1073793772	/nfs/dbraw/zinc/79/37/72/1073793772.db2.gz	LKQIYWIJIPOAJU-WOJBJXKFSA-N	1	1	405.564	1.230	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1	ZINC000057260781	1073804279	/nfs/dbraw/zinc/80/42/79/1073804279.db2.gz	XHTVPAPMYPBPNF-IBGZPJMESA-N	1	1	405.458	1.485	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1	ZINC000057260781	1073804291	/nfs/dbraw/zinc/80/42/91/1073804291.db2.gz	XHTVPAPMYPBPNF-IBGZPJMESA-N	1	1	405.458	1.485	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@H](C)[C@@H](OC)C1	ZINC000466545657	1073838545	/nfs/dbraw/zinc/83/85/45/1073838545.db2.gz	PHDCOHWKLUUEMO-KXBFYZLASA-N	1	1	404.511	1.972	20	0		HDADMO
COC(=O)[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1	ZINC000029634949	1073845861	/nfs/dbraw/zinc/84/58/61/1073845861.db2.gz	FEOMCTPAWAGSJI-NRFANRHFSA-N	1	1	409.486	1.771	20	0		HDADMO
O=C(N[C@H]1CCN(CCN2CCOCC2)C1)NC1CC[NH+](C2CCCCC2)CC1	ZINC000673879259	1073851221	/nfs/dbraw/zinc/85/12/21/1073851221.db2.gz	XMKJRIORLBZAOL-FQEVSTJZSA-N	1	1	407.603	1.489	20	0		HDADMO
O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000673879189	1073851436	/nfs/dbraw/zinc/85/14/36/1073851436.db2.gz	WQSOQRSHVMLFKS-AZUAARDMSA-N	1	1	421.505	1.345	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1	ZINC000673883554	1073854599	/nfs/dbraw/zinc/85/45/99/1073854599.db2.gz	KWQHPRXGQXQGKE-NRFANRHFSA-N	1	1	414.550	1.992	20	0		HDADMO
O=C(Nc1cccnc1OCc1ccccc1)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000673890353	1073863384	/nfs/dbraw/zinc/86/33/84/1073863384.db2.gz	BZIQPVLWFHKDFX-UHFFFAOYSA-N	1	1	424.501	1.922	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1	ZINC000673913722	1073879927	/nfs/dbraw/zinc/87/99/27/1073879927.db2.gz	RZJZBUBZLKPAJD-BEFAXECRSA-N	1	1	402.495	1.593	20	0		HDADMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)C[C@H](C)O1	ZINC000429175637	1073949378	/nfs/dbraw/zinc/94/93/78/1073949378.db2.gz	KDMYVETYDAABNX-HDICACEKSA-N	1	1	416.570	1.976	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)NCC(C)(C)[NH+]3CCN(C)CC3)CC2)ncn1	ZINC000673971509	1073956660	/nfs/dbraw/zinc/95/66/60/1073956660.db2.gz	QIDIUKOBFFYJHN-UHFFFAOYSA-N	1	1	403.575	1.333	20	0		HDADMO
CC(C)N1CC[NH+](C2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)CC1	ZINC000429178685	1073964351	/nfs/dbraw/zinc/96/43/51/1073964351.db2.gz	UUQXXDYJXZWPTG-UHFFFAOYSA-N	1	1	415.586	1.645	20	0		HDADMO
COc1ccc(Cn2nccc2NC(=O)[C@H](C)N2CC[NH+](C)CC2)c(OC)c1OC	ZINC000543523224	1073983024	/nfs/dbraw/zinc/98/30/24/1073983024.db2.gz	REZXKVORCMFIKP-HNNXBMFYSA-N	1	1	417.510	1.532	20	0		HDADMO
CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c(=O)[nH]c1=O	ZINC000429181778	1073987228	/nfs/dbraw/zinc/98/72/28/1073987228.db2.gz	BFZAQFWWTIIVHT-ZBEGNZNMSA-N	1	1	406.508	1.723	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)ncn1	ZINC000673985140	1074002068	/nfs/dbraw/zinc/00/20/68/1074002068.db2.gz	FCJLVMYVHWLKFJ-HXUWFJFHSA-N	1	1	415.586	1.429	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000429191004	1074028222	/nfs/dbraw/zinc/02/82/22/1074028222.db2.gz	GCNWAEJWZSJAJM-QGZVFWFLSA-N	1	1	411.572	1.125	20	0		HDADMO
CCOC(=O)[C@@]1(C)CN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCO1	ZINC001649122896	1074043205	/nfs/dbraw/zinc/04/32/05/1074043205.db2.gz	STQKCNKNDWYMEM-HXUWFJFHSA-N	1	1	413.515	1.156	20	0		HDADMO
O=S(=O)(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc2c1OCO2	ZINC000509195856	1074044820	/nfs/dbraw/zinc/04/48/20/1074044820.db2.gz	LPBAOVSQQPIZHO-SJORKVTESA-N	1	1	404.488	1.577	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000429198667	1074055698	/nfs/dbraw/zinc/05/56/98/1074055698.db2.gz	OHOSYPYLBLUIFS-HNNXBMFYSA-N	1	1	414.428	1.832	20	0		HDADMO
COCc1nc2n(n1)C[C@@H](NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2	ZINC000466600870	1074062609	/nfs/dbraw/zinc/06/26/09/1074062609.db2.gz	YIKVXOXXEMRXCR-AEFFLSMTSA-N	1	1	400.527	1.949	20	0		HDADMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1	ZINC000543554310	1074076837	/nfs/dbraw/zinc/07/68/37/1074076837.db2.gz	AMHKOMRHPHSBLQ-INIZCTEOSA-N	1	1	401.511	1.341	20	0		HDADMO
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1	ZINC000543555248	1074082906	/nfs/dbraw/zinc/08/29/06/1074082906.db2.gz	NIXYZASTBSKXME-JOCHJYFZSA-N	1	1	421.538	1.530	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)c2cccs2)CC1	ZINC000674027572	1074094125	/nfs/dbraw/zinc/09/41/25/1074094125.db2.gz	OQKHBLJVGNSHNS-CQSZACIVSA-N	1	1	402.586	1.159	20	0		HDADMO
Cn1c2[nH]c(C[N@H+](C)[C@H]3CCO[C@H](c4ccc(F)cc4)C3)nc2c(=O)n(C)c1=O	ZINC000543559733	1074107813	/nfs/dbraw/zinc/10/78/13/1074107813.db2.gz	VMTCICDEJRFDCP-GJZGRUSLSA-N	1	1	401.442	1.452	20	0		HDADMO
Cn1c2[nH]c(C[N@@H+](C)[C@H]3CCO[C@H](c4ccc(F)cc4)C3)nc2c(=O)n(C)c1=O	ZINC000543559733	1074107818	/nfs/dbraw/zinc/10/78/18/1074107818.db2.gz	VMTCICDEJRFDCP-GJZGRUSLSA-N	1	1	401.442	1.452	20	0		HDADMO
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCCN(C[C@H]2CCCO2)CC1	ZINC000674039443	1074112458	/nfs/dbraw/zinc/11/24/58/1074112458.db2.gz	RDVWUHFDTOYWOJ-LJQANCHMSA-N	1	1	402.539	1.708	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2ccc3c(c2)C(=O)NCC3)c1	ZINC000543564291	1074114685	/nfs/dbraw/zinc/11/46/85/1074114685.db2.gz	PYGBWVTVVGZROV-FQEVSTJZSA-N	1	1	421.501	1.744	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCc2ccc3c(c2)C(=O)NCC3)c1	ZINC000543564291	1074114694	/nfs/dbraw/zinc/11/46/94/1074114694.db2.gz	PYGBWVTVVGZROV-FQEVSTJZSA-N	1	1	421.501	1.744	20	0		HDADMO
O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000429207282	1074117329	/nfs/dbraw/zinc/11/73/29/1074117329.db2.gz	WYOWUNJPNNFGAN-CTNGQTDRSA-N	1	1	424.549	1.628	20	0		HDADMO
CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000229457778	1074125722	/nfs/dbraw/zinc/12/57/22/1074125722.db2.gz	IMILTQYTPSTJHG-SJLPKXTDSA-N	1	1	422.551	1.137	20	0		HDADMO
O=C(NCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cnccn1	ZINC000509209362	1074132104	/nfs/dbraw/zinc/13/21/04/1074132104.db2.gz	GROCYKHCHMRFLU-MRXNPFEDSA-N	1	1	403.433	1.480	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000429214533	1074138637	/nfs/dbraw/zinc/13/86/37/1074138637.db2.gz	MJBCGUXYZOUWJJ-QGZVFWFLSA-N	1	1	424.567	1.700	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000429214533	1074138642	/nfs/dbraw/zinc/13/86/42/1074138642.db2.gz	MJBCGUXYZOUWJJ-QGZVFWFLSA-N	1	1	424.567	1.700	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)C[C@H](C)O1	ZINC000466623524	1074138976	/nfs/dbraw/zinc/13/89/76/1074138976.db2.gz	RXFCRLOJRMVBBN-YRNRMSPPSA-N	1	1	403.523	1.696	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)C[C@H](C)O1	ZINC000466623524	1074138981	/nfs/dbraw/zinc/13/89/81/1074138981.db2.gz	RXFCRLOJRMVBBN-YRNRMSPPSA-N	1	1	403.523	1.696	20	0		HDADMO
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000229625216	1074147078	/nfs/dbraw/zinc/14/70/78/1074147078.db2.gz	PSYGYUQEUDETAK-MOPGFXCFSA-N	1	1	417.554	1.214	20	0		HDADMO
CC[N@@H+](CCO)CCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1	ZINC000470593303	1074159309	/nfs/dbraw/zinc/15/93/09/1074159309.db2.gz	XMGQIMSJEUOHNI-UHFFFAOYSA-N	1	1	411.930	1.631	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2c(F)cccc2F)n1	ZINC000674093542	1074181375	/nfs/dbraw/zinc/18/13/75/1074181375.db2.gz	CUWZVBQSOBLTBC-OAHLLOKOSA-N	1	1	405.449	1.287	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Br	ZINC000674094649	1074181655	/nfs/dbraw/zinc/18/16/55/1074181655.db2.gz	QPWAZJRGKOLSLN-ZDUSSCGKSA-N	1	1	400.292	1.725	20	0		HDADMO
C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)[N@H+]1CCc2ccccc2C1	ZINC000670466291	1074184992	/nfs/dbraw/zinc/18/49/92/1074184992.db2.gz	JQDOMFHOIWKCPK-HNNXBMFYSA-N	1	1	402.520	1.110	20	0		HDADMO
Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c(C)c1	ZINC000485004336	1074189453	/nfs/dbraw/zinc/18/94/53/1074189453.db2.gz	VJMPHTWOOGNLJL-UHFFFAOYSA-N	1	1	416.566	1.807	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3C)CC2)nc(C)[nH+]1	ZINC000674135000	1074192595	/nfs/dbraw/zinc/19/25/95/1074192595.db2.gz	RXKSUQDOKBSCLI-UHFFFAOYSA-N	1	1	403.508	1.448	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)c3ccc(S(N)(=O)=O)c(C)c3)CC2)nc(C)[nH+]1	ZINC000674135127	1074193211	/nfs/dbraw/zinc/19/32/11/1074193211.db2.gz	XYTXPYDVWXVIOL-UHFFFAOYSA-N	1	1	403.508	1.448	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)nc(C)[nH+]1	ZINC000674134842	1074193225	/nfs/dbraw/zinc/19/32/25/1074193225.db2.gz	NKLPBNWJWWFBSN-QGZVFWFLSA-N	1	1	408.506	1.622	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)nc(C)n1	ZINC000674159966	1074195614	/nfs/dbraw/zinc/19/56/14/1074195614.db2.gz	UFFSIBJGFPTCSF-IBGZPJMESA-N	1	1	415.586	1.530	20	0		HDADMO
CC[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nnc2n1CCCCC2	ZINC000674162259	1074198110	/nfs/dbraw/zinc/19/81/10/1074198110.db2.gz	ZYFBHOWTFRNAHR-ROUUACIJSA-N	1	1	419.574	1.161	20	0		HDADMO
Cn1c2sc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c(=O)n(C)c1=O	ZINC001128637019	1074199095	/nfs/dbraw/zinc/19/90/95/1074199095.db2.gz	PAOUOTBGFGVPBA-OAHLLOKOSA-N	1	1	412.515	1.551	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccccc3CS(C)(=O)=O)CC2)C1	ZINC000674180912	1074199649	/nfs/dbraw/zinc/19/96/49/1074199649.db2.gz	JQJIDRDVYKIPBZ-IBGZPJMESA-N	1	1	408.568	1.153	20	0		HDADMO
CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1	ZINC000674193381	1074207978	/nfs/dbraw/zinc/20/79/78/1074207978.db2.gz	XYKPSFIVHKTXQL-GOSISDBHSA-N	1	1	422.551	1.767	20	0		HDADMO
O=C(CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429223157	1074214064	/nfs/dbraw/zinc/21/40/64/1074214064.db2.gz	QILWSJXNMFSLAP-BBRMVZONSA-N	1	1	412.494	1.858	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)C1	ZINC001545674873	1074223043	/nfs/dbraw/zinc/22/30/43/1074223043.db2.gz	MSOMTOCUSKDAPV-MRXNPFEDSA-N	1	1	410.526	1.183	20	0		HDADMO
O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000674217715	1074229874	/nfs/dbraw/zinc/22/98/74/1074229874.db2.gz	HEOQPSSEGRVVEW-HKUYNNGSSA-N	1	1	409.490	1.292	20	0		HDADMO
CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC1	ZINC000674222567	1074232445	/nfs/dbraw/zinc/23/24/45/1074232445.db2.gz	UOSRYQKZVBQDBF-QGZVFWFLSA-N	1	1	413.478	1.431	20	0		HDADMO
O=C(Nc1cccnc1OCc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000674229413	1074235910	/nfs/dbraw/zinc/23/59/10/1074235910.db2.gz	SRYJAQNUNBCLEG-IBGZPJMESA-N	1	1	424.501	1.780	20	0		HDADMO
CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)ccc21	ZINC000674298498	1074263201	/nfs/dbraw/zinc/26/32/01/1074263201.db2.gz	SUOXRYQXEODUCP-QGZVFWFLSA-N	1	1	407.536	1.329	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)C1	ZINC000674299635	1074263767	/nfs/dbraw/zinc/26/37/67/1074263767.db2.gz	RORBQLQILHIWPI-RBUKOAKNSA-N	1	1	419.957	1.867	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000674323662	1074273381	/nfs/dbraw/zinc/27/33/81/1074273381.db2.gz	IIZFBSWRIFOSMG-FQEVSTJZSA-N	1	1	422.533	1.791	20	0		HDADMO
O=C(CNc1cccc(Cl)c1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000674321070	1074281941	/nfs/dbraw/zinc/28/19/41/1074281941.db2.gz	PDFBZQCWBZBNRS-UHFFFAOYSA-N	1	1	422.957	1.829	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3C3CC3)cc2)CC1	ZINC000674320694	1074283052	/nfs/dbraw/zinc/28/30/52/1074283052.db2.gz	PWQGOUIELPBBRB-FQEVSTJZSA-N	1	1	412.534	1.733	20	0		HDADMO
COC1CC[NH+](CCNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1	ZINC000674333461	1074287156	/nfs/dbraw/zinc/28/71/56/1074287156.db2.gz	XADGVDDMLJLOSR-UHFFFAOYSA-N	1	1	401.916	1.614	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1	ZINC000674424334	1074325413	/nfs/dbraw/zinc/32/54/13/1074325413.db2.gz	KMBZVRHJMSZFCH-GHMZBOCLSA-N	1	1	404.355	1.579	20	0		HDADMO
C[C@H](CNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@@H+]1CCc2sccc2C1	ZINC000674424257	1074325945	/nfs/dbraw/zinc/32/59/45/1074325945.db2.gz	HVKMTQFFENABHI-WAWZGNHOSA-N	1	1	419.551	1.514	20	0		HDADMO
C[C@H](CNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@H+]1CCc2sccc2C1	ZINC000674424257	1074325948	/nfs/dbraw/zinc/32/59/48/1074325948.db2.gz	HVKMTQFFENABHI-WAWZGNHOSA-N	1	1	419.551	1.514	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000674427692	1074330989	/nfs/dbraw/zinc/33/09/89/1074330989.db2.gz	QWZZPYVPVOOCMM-HMFYCAOWSA-N	1	1	413.522	1.671	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CCN2C1=O	ZINC000674468348	1074365848	/nfs/dbraw/zinc/36/58/48/1074365848.db2.gz	NZNGIKDLKDRRJW-TZMCWYRMSA-N	1	1	402.278	1.701	20	0		HDADMO
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)[C@H]1C	ZINC000674479501	1074379419	/nfs/dbraw/zinc/37/94/19/1074379419.db2.gz	VBVNNCWWOYTKFF-IRXDYDNUSA-N	1	1	415.538	1.092	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1	ZINC000674515412	1074412034	/nfs/dbraw/zinc/41/20/34/1074412034.db2.gz	WEPFOGOXWNKZPR-HNNXBMFYSA-N	1	1	417.959	1.481	20	0		HDADMO
CC(=O)N1CC[NH+]([C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)C[C@@H]2C)CC1	ZINC000674539571	1074429792	/nfs/dbraw/zinc/42/97/92/1074429792.db2.gz	RLTYBBZBPWDIRD-SZMVWBNQSA-N	1	1	418.563	1.364	20	0		HDADMO
COC[C@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000674564124	1074441125	/nfs/dbraw/zinc/44/11/25/1074441125.db2.gz	UPJBBYUZRZCQJP-QGZVFWFLSA-N	1	1	410.540	1.656	20	0		HDADMO
COC[C@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000674564124	1074441127	/nfs/dbraw/zinc/44/11/27/1074441127.db2.gz	UPJBBYUZRZCQJP-QGZVFWFLSA-N	1	1	410.540	1.656	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1	ZINC000674560644	1074447389	/nfs/dbraw/zinc/44/73/89/1074447389.db2.gz	VPDWPTIVDNNVCK-SFHVURJKSA-N	1	1	415.538	1.985	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1	ZINC000674560643	1074447400	/nfs/dbraw/zinc/44/74/00/1074447400.db2.gz	VPDWPTIVDNNVCK-GOSISDBHSA-N	1	1	415.538	1.985	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1nc(C(F)(F)F)cs1	ZINC000674582082	1074460608	/nfs/dbraw/zinc/46/06/08/1074460608.db2.gz	FQAZEKBADFMJDL-GHMZBOCLSA-N	1	1	422.473	1.643	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1nc(C(F)(F)F)cs1	ZINC000674582082	1074460610	/nfs/dbraw/zinc/46/06/10/1074460610.db2.gz	FQAZEKBADFMJDL-GHMZBOCLSA-N	1	1	422.473	1.643	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC(OCC(=O)N(C)C)C1	ZINC000674587206	1074467737	/nfs/dbraw/zinc/46/77/37/1074467737.db2.gz	HYXSDHSPJLFXSJ-QGZVFWFLSA-N	1	1	403.523	1.869	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O	ZINC000674595208	1074474404	/nfs/dbraw/zinc/47/44/04/1074474404.db2.gz	TWXGAIZCBYIGEL-FUHWJXTLSA-N	1	1	402.470	1.533	20	0		HDADMO
Cn1cc(S(=O)(=O)NCC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cn1	ZINC000509231968	1074481139	/nfs/dbraw/zinc/48/11/39/1074481139.db2.gz	DFJMKBVNPQISRM-UHFFFAOYSA-N	1	1	412.541	1.170	20	0		HDADMO
C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674668308	1074518889	/nfs/dbraw/zinc/51/88/89/1074518889.db2.gz	XPPNICPOZVMTCB-QFBILLFUSA-N	1	1	407.580	1.821	20	0		HDADMO
C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674668308	1074518896	/nfs/dbraw/zinc/51/88/96/1074518896.db2.gz	XPPNICPOZVMTCB-QFBILLFUSA-N	1	1	407.580	1.821	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1CCCC[C@@H]1CO	ZINC000674714125	1074532944	/nfs/dbraw/zinc/53/29/44/1074532944.db2.gz	LQEKMSVRPNEMIL-MRXNPFEDSA-N	1	1	422.551	1.424	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1CCCC[C@@H]1CO	ZINC000674714125	1074532945	/nfs/dbraw/zinc/53/29/45/1074532945.db2.gz	LQEKMSVRPNEMIL-MRXNPFEDSA-N	1	1	422.551	1.424	20	0		HDADMO
COc1ccc(CCNC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1	ZINC000670482287	1074547599	/nfs/dbraw/zinc/54/75/99/1074547599.db2.gz	JDRKXUGCYOMFFK-UHFFFAOYSA-N	1	1	416.566	1.371	20	0		HDADMO
COc1cc(NC2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)cc(OC)c1	ZINC000674754954	1074549187	/nfs/dbraw/zinc/54/91/87/1074549187.db2.gz	YSKSUNYWZHLVOZ-UHFFFAOYSA-N	1	1	401.511	1.972	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1	ZINC000674761760	1074554717	/nfs/dbraw/zinc/55/47/17/1074554717.db2.gz	NVALYRZXAJMIKX-HNNXBMFYSA-N	1	1	420.539	1.375	20	0		HDADMO
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674782877	1074563517	/nfs/dbraw/zinc/56/35/17/1074563517.db2.gz	ALZGRZGBPSYKMN-IAGOWNOFSA-N	1	1	423.508	1.249	20	0		HDADMO
CCn1c(C[N@@H+](C)C(C)(C)COC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000429240149	1074575169	/nfs/dbraw/zinc/57/51/69/1074575169.db2.gz	ISJUUIWVPFIIKP-UHFFFAOYSA-N	1	1	424.567	1.934	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000674828235	1074587133	/nfs/dbraw/zinc/58/71/33/1074587133.db2.gz	YRQNMQBMYXUMSK-QGZVFWFLSA-N	1	1	409.552	1.639	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1	ZINC000674917456	1074614672	/nfs/dbraw/zinc/61/46/72/1074614672.db2.gz	JTQZAWZDSLLPTD-YADHBBJMSA-N	1	1	416.566	1.914	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@@H]([C@@H]4CCCO4)C3)CC2)cc1	ZINC000674913750	1074618307	/nfs/dbraw/zinc/61/83/07/1074618307.db2.gz	MNRNATKJAXLFQX-FCHUYYIVSA-N	1	1	401.551	1.909	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCC(OCCCO)CC1	ZINC000674973423	1074649143	/nfs/dbraw/zinc/64/91/43/1074649143.db2.gz	DLTZPIPZGWQPOU-UHFFFAOYSA-N	1	1	408.518	1.521	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1	ZINC000674997674	1074675086	/nfs/dbraw/zinc/67/50/86/1074675086.db2.gz	PFLBRPCSYXFPKV-MOPGFXCFSA-N	1	1	401.555	1.695	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)nn1-c1ccccc1Cl	ZINC000441007426	1074684480	/nfs/dbraw/zinc/68/44/80/1074684480.db2.gz	HFDUAAJAJSUHEL-XJKSGUPXSA-N	1	1	403.914	2.571	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)nn1-c1cccc(Cl)c1	ZINC000441010231	1074686476	/nfs/dbraw/zinc/68/64/76/1074686476.db2.gz	IFVCNTNJUAIDON-GUYCJALGSA-N	1	1	403.914	2.571	20	0		HDADMO
C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ncc(I)cn2)C1	ZINC000766088474	1074694573	/nfs/dbraw/zinc/69/45/73/1074694573.db2.gz	RJZRPMGFRBUHQF-MRVPVSSYSA-N	1	1	403.253	1.171	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)s1	ZINC000488467327	1074703844	/nfs/dbraw/zinc/70/38/44/1074703844.db2.gz	VSSHPJGKAFLAIR-ZDUSSCGKSA-N	1	1	411.528	1.751	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1	ZINC000448374619	1074705229	/nfs/dbraw/zinc/70/52/29/1074705229.db2.gz	SJMSIFNCGUEIQE-UKRRQHHQSA-N	1	1	407.540	2.514	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O	ZINC000675096215	1074708684	/nfs/dbraw/zinc/70/86/84/1074708684.db2.gz	VPTDCLFLKWAFNR-NVXWUHKLSA-N	1	1	419.551	1.638	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(CN3C(=O)c4ccc(Br)cc4C3=O)CC2)C1	ZINC000766090603	1074708912	/nfs/dbraw/zinc/70/89/12/1074708912.db2.gz	FZDMAYNAXQTRQR-OAHLLOKOSA-N	1	1	421.339	1.714	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](C)[N@@H+]3CCc4sccc4C3)CCN2C1=O	ZINC000675089802	1074712508	/nfs/dbraw/zinc/71/25/08/1074712508.db2.gz	STJWHMAZRVTWSD-ZFWWWQNUSA-N	1	1	405.524	1.173	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](C)[N@H+]3CCc4sccc4C3)CCN2C1=O	ZINC000675089802	1074712521	/nfs/dbraw/zinc/71/25/21/1074712521.db2.gz	STJWHMAZRVTWSD-ZFWWWQNUSA-N	1	1	405.524	1.173	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)s1	ZINC000561809836	1074726927	/nfs/dbraw/zinc/72/69/27/1074726927.db2.gz	DYZWXJCPQPYKGO-UKRRQHHQSA-N	1	1	403.508	2.428	20	0		HDADMO
CCOCCS(=O)(=O)NCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000675138132	1074729486	/nfs/dbraw/zinc/72/94/86/1074729486.db2.gz	HTIWSKCJTQPFGE-UHFFFAOYSA-N	1	1	411.568	1.313	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1	ZINC000675127027	1074731080	/nfs/dbraw/zinc/73/10/80/1074731080.db2.gz	YSKALNPUPRTBKE-OXQOHEQNSA-N	1	1	408.502	1.693	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C[N@H+]1Cc1ccccc1	ZINC000675126848	1074731153	/nfs/dbraw/zinc/73/11/53/1074731153.db2.gz	PIVCMNYJMVODKQ-YOEHRIQHSA-N	1	1	408.458	1.735	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1	ZINC000675190059	1074752038	/nfs/dbraw/zinc/75/20/38/1074752038.db2.gz	HEPUWKHZTDVLPR-SFHVURJKSA-N	1	1	402.539	1.858	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1	ZINC000675190059	1074752044	/nfs/dbraw/zinc/75/20/44/1074752044.db2.gz	HEPUWKHZTDVLPR-SFHVURJKSA-N	1	1	402.539	1.858	20	0		HDADMO
CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1=O	ZINC000429322280	1074754329	/nfs/dbraw/zinc/75/43/29/1074754329.db2.gz	JSRFNCXWXIIIHJ-GUDVDZBRSA-N	1	1	402.539	1.568	20	0		HDADMO
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000675219258	1074762672	/nfs/dbraw/zinc/76/26/72/1074762672.db2.gz	KICKEKNLWYYCNM-IBGZPJMESA-N	1	1	421.563	1.337	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429326492	1074777702	/nfs/dbraw/zinc/77/77/02/1074777702.db2.gz	IHVJOAZTWVEUCU-ZWKOTPCHSA-N	1	1	401.555	1.896	20	0		HDADMO
Cc1cc(NC(=O)C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)no1	ZINC000591142596	1074782412	/nfs/dbraw/zinc/78/24/12/1074782412.db2.gz	QGBSEHLABHDBLP-GFCCVEGCSA-N	1	1	417.441	2.512	20	0		HDADMO
Cc1cc(NC(=O)C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)no1	ZINC000591142596	1074782420	/nfs/dbraw/zinc/78/24/20/1074782420.db2.gz	QGBSEHLABHDBLP-GFCCVEGCSA-N	1	1	417.441	2.512	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(NC[C@@H](C)CN2CC[NH+](CC)CC2)nc1	ZINC000443452488	1074782815	/nfs/dbraw/zinc/78/28/15/1074782815.db2.gz	ZAISQLFTBNLQTA-QGZVFWFLSA-N	1	1	411.616	2.234	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446769687	1074784533	/nfs/dbraw/zinc/78/45/33/1074784533.db2.gz	NLKMGEDYFGTYTG-HNNXBMFYSA-N	1	1	409.412	2.165	20	0		HDADMO
C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[N@H+]1CCC[C@@H](C)C1	ZINC000675317759	1074797766	/nfs/dbraw/zinc/79/77/66/1074797766.db2.gz	BAFHFANKJPBFAB-IIDMSEBBSA-N	1	1	420.941	1.798	20	0		HDADMO
COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1	ZINC000509322738	1074799338	/nfs/dbraw/zinc/79/93/38/1074799338.db2.gz	MVUWECDHLXIAON-GOSISDBHSA-N	1	1	405.476	1.379	20	0		HDADMO
CC(C)N(CCCNC(=O)C[NH+]1CCC2(CC1)OCc1ccccc12)S(C)(=O)=O	ZINC000675324180	1074799646	/nfs/dbraw/zinc/79/96/46/1074799646.db2.gz	DQQSXSZRNBSAPZ-UHFFFAOYSA-N	1	1	423.579	1.684	20	0		HDADMO
C[C@]1(c2ccccc2)CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1	ZINC000675310304	1074800468	/nfs/dbraw/zinc/80/04/68/1074800468.db2.gz	TZELIWYAMDAKBI-RBBKRZOGSA-N	1	1	402.539	1.350	20	0		HDADMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1ccn(Cc2ccncc2)n1	ZINC000579028396	1074815527	/nfs/dbraw/zinc/81/55/27/1074815527.db2.gz	HEFORKUTTLRMKF-FQEVSTJZSA-N	1	1	406.490	2.215	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000429248037	1075094075	/nfs/dbraw/zinc/09/40/75/1075094075.db2.gz	LPUSGXPCNONLGK-UHFFFAOYSA-N	1	1	407.540	1.752	20	0		HDADMO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1	ZINC000670511150	1075094881	/nfs/dbraw/zinc/09/48/81/1075094881.db2.gz	QKPIJYLUAUFPGK-GASCZTMLSA-N	1	1	415.456	1.980	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)CC2)no1	ZINC000448469789	1075110244	/nfs/dbraw/zinc/11/02/44/1075110244.db2.gz	ZMBWIEJXTCZUJG-SFHVURJKSA-N	1	1	420.558	1.617	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]21	ZINC001299295600	1075113029	/nfs/dbraw/zinc/11/30/29/1075113029.db2.gz	GIDLWMPDKBJOOQ-MSOLQXFVSA-N	1	1	404.540	1.194	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]21	ZINC001299295600	1075113033	/nfs/dbraw/zinc/11/30/33/1075113033.db2.gz	GIDLWMPDKBJOOQ-MSOLQXFVSA-N	1	1	404.540	1.194	20	0		HDADMO
CCOCCCNC(=O)C1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000041622954	1075118144	/nfs/dbraw/zinc/11/81/44/1075118144.db2.gz	AIEKZEJKDZDDHU-SFHVURJKSA-N	1	1	419.522	1.197	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H]3CCOC3)CC2)C1	ZINC000675401500	1075127097	/nfs/dbraw/zinc/12/70/97/1075127097.db2.gz	AQWPSBCEEPYWSR-ZWKOTPCHSA-N	1	1	416.522	1.031	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1	ZINC000675405293	1075129203	/nfs/dbraw/zinc/12/92/03/1075129203.db2.gz	YYCMOZZWKGWBCX-MJGOQNOKSA-N	1	1	413.522	1.784	20	0		HDADMO
COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)CN2CCOCC2)c1	ZINC000766122261	1075132657	/nfs/dbraw/zinc/13/26/57/1075132657.db2.gz	SLOZELQLFBIELP-GGAORHGYSA-N	1	1	400.519	1.924	20	0		HDADMO
C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000675412976	1075137460	/nfs/dbraw/zinc/13/74/60/1075137460.db2.gz	ZQIBKITWSLRGLY-MSOLQXFVSA-N	1	1	418.538	1.183	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1	ZINC000675433594	1075144065	/nfs/dbraw/zinc/14/40/65/1075144065.db2.gz	YZTSKXBQPSIWKM-INIZCTEOSA-N	1	1	410.877	1.255	20	0		HDADMO
CCN1CCN(C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)[C@@H](C)C1=O	ZINC000429345102	1075145123	/nfs/dbraw/zinc/14/51/23/1075145123.db2.gz	LYVRPIYTSSBIIP-KRWDZBQOSA-N	1	1	415.538	1.478	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1	ZINC000444519617	1075145763	/nfs/dbraw/zinc/14/57/63/1075145763.db2.gz	OQRXMLPMMVHHCU-GOSISDBHSA-N	1	1	413.522	1.981	20	0		HDADMO
CCN1C[C@@H](CN(C)C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)Oc2ccccc21	ZINC000670525635	1075147821	/nfs/dbraw/zinc/14/78/21/1075147821.db2.gz	WQIYRXWEDAOJNI-AEFFLSMTSA-N	1	1	414.506	1.744	20	0		HDADMO
O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000670526904	1075149313	/nfs/dbraw/zinc/14/93/13/1075149313.db2.gz	JRQMONLVHKOEIM-GOSISDBHSA-N	1	1	406.571	1.271	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC[N@@H+]1CCO	ZINC000429253609	1075151047	/nfs/dbraw/zinc/15/10/47/1075151047.db2.gz	BRYUHAIPJUMQAT-DLBZAZTESA-N	1	1	424.567	1.638	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC[N@H+]1CCO	ZINC000429253609	1075151051	/nfs/dbraw/zinc/15/10/51/1075151051.db2.gz	BRYUHAIPJUMQAT-DLBZAZTESA-N	1	1	424.567	1.638	20	0		HDADMO
CCC[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@H+]1Cc1ccccc1	ZINC000537259215	1075154197	/nfs/dbraw/zinc/15/41/97/1075154197.db2.gz	UWAQHKBYELZPQY-GOSISDBHSA-N	1	1	413.526	1.885	20	0		HDADMO
C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)CC[C@@H]2CCCO2)CC1	ZINC000675456391	1075155421	/nfs/dbraw/zinc/15/54/21/1075155421.db2.gz	MYBNVOBBZHTEIN-AZUAARDMSA-N	1	1	421.563	1.481	20	0		HDADMO
Cc1cc(-n2c(C)cc(C(=O)CN3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c2C)no1	ZINC000766138989	1075159943	/nfs/dbraw/zinc/15/99/43/1075159943.db2.gz	IGIFPZGBYNOXCX-LJQANCHMSA-N	1	1	413.522	1.812	20	0		HDADMO
Cc1cc(-n2c(C)cc(C(=O)CN3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c2C)no1	ZINC000766138989	1075159946	/nfs/dbraw/zinc/15/99/46/1075159946.db2.gz	IGIFPZGBYNOXCX-LJQANCHMSA-N	1	1	413.522	1.812	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)CC[C@H]3CCCO3)CC2)CC1	ZINC000675460799	1075162399	/nfs/dbraw/zinc/16/23/99/1075162399.db2.gz	JQNUEFPLEWCJAX-GOSISDBHSA-N	1	1	401.573	1.152	20	0		HDADMO
COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1	ZINC000565572799	1075164696	/nfs/dbraw/zinc/16/46/96/1075164696.db2.gz	WZGDLHFYHIPWKJ-UHFFFAOYSA-N	1	1	405.543	1.833	20	0		HDADMO
Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1C	ZINC000429352651	1075171385	/nfs/dbraw/zinc/17/13/85/1075171385.db2.gz	IEFUUWBPTCLHPL-AWEZNQCLSA-N	1	1	408.568	1.696	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1	ZINC000675480667	1075171443	/nfs/dbraw/zinc/17/14/43/1075171443.db2.gz	SMYVKPDTTMWYDP-FQEVSTJZSA-N	1	1	422.595	1.584	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1	ZINC000675480667	1075171447	/nfs/dbraw/zinc/17/14/47/1075171447.db2.gz	SMYVKPDTTMWYDP-FQEVSTJZSA-N	1	1	422.595	1.584	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1	ZINC000675480667	1075171449	/nfs/dbraw/zinc/17/14/49/1075171449.db2.gz	SMYVKPDTTMWYDP-FQEVSTJZSA-N	1	1	422.595	1.584	20	0		HDADMO
CCNC(=O)N1CC[C@@H](NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C1	ZINC000675482100	1075171797	/nfs/dbraw/zinc/17/17/97/1075171797.db2.gz	CGHGYMKQIUFCBU-MRXNPFEDSA-N	1	1	411.510	1.097	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1	ZINC000675497173	1075176954	/nfs/dbraw/zinc/17/69/54/1075176954.db2.gz	FLELEQXXGWLUOH-INIZCTEOSA-N	1	1	403.907	1.723	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1	ZINC000675497173	1075176955	/nfs/dbraw/zinc/17/69/55/1075176955.db2.gz	FLELEQXXGWLUOH-INIZCTEOSA-N	1	1	403.907	1.723	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000446877496	1075187230	/nfs/dbraw/zinc/18/72/30/1075187230.db2.gz	MJWMCZPHLIDCLX-FQEVSTJZSA-N	1	1	418.501	2.329	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446877496	1075187236	/nfs/dbraw/zinc/18/72/36/1075187236.db2.gz	MJWMCZPHLIDCLX-FQEVSTJZSA-N	1	1	418.501	2.329	20	0		HDADMO
O=C(Nc1ccn(CCN2CCOCC2)n1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000448361197	1075187708	/nfs/dbraw/zinc/18/77/08/1075187708.db2.gz	FZXOJKCGLSQMIL-PKOBYXMFSA-N	1	1	402.543	1.696	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCN(C)S(C)(=O)=O	ZINC000675530684	1075192545	/nfs/dbraw/zinc/19/25/45/1075192545.db2.gz	KUERJEGFBHQJJQ-DZFIZOCASA-N	1	1	410.584	1.724	20	0		HDADMO
C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CCS(=O)(=O)N(C)C)CC3)cc2NC1=O	ZINC000509347845	1075193734	/nfs/dbraw/zinc/19/37/34/1075193734.db2.gz	FTJUZMHZCSLUDU-ZDUSSCGKSA-N	1	1	409.508	1.192	20	0		HDADMO
Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1	ZINC000466684765	1075195429	/nfs/dbraw/zinc/19/54/29/1075195429.db2.gz	UPYVGAFUBPWEOO-HNAYVOBHSA-N	1	1	419.489	1.688	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1	ZINC000675530293	1075200725	/nfs/dbraw/zinc/20/07/25/1075200725.db2.gz	YGESZHIBKLEFJL-UHFFFAOYSA-N	1	1	401.511	1.437	20	0		HDADMO
COc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc(Cl)c1OCC(N)=O	ZINC000032298555	1075203096	/nfs/dbraw/zinc/20/30/96/1075203096.db2.gz	OTEKMASYPYUTTF-OAHLLOKOSA-N	1	1	413.902	1.299	20	0		HDADMO
O=C(CC[C@H]1NC(=O)NC1=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000675566273	1075205373	/nfs/dbraw/zinc/20/53/73/1075205373.db2.gz	HASMSSBLUHFIOK-OAHLLOKOSA-N	1	1	423.311	1.518	20	0		HDADMO
Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000543635456	1075205897	/nfs/dbraw/zinc/20/58/97/1075205897.db2.gz	COEXGHUKGQVREU-WMZOPIPTSA-N	1	1	404.536	1.672	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1	ZINC000675576131	1075209973	/nfs/dbraw/zinc/20/99/73/1075209973.db2.gz	GJBKSFMMGDBTQG-POAQFYNOSA-N	1	1	410.522	1.830	20	0		HDADMO
CN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675577136	1075209991	/nfs/dbraw/zinc/20/99/91/1075209991.db2.gz	XDWVVQPGINOLOW-FGZHOGPDSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000675577136	1075209996	/nfs/dbraw/zinc/20/99/96/1075209996.db2.gz	XDWVVQPGINOLOW-FGZHOGPDSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000675577136	1075210006	/nfs/dbraw/zinc/21/00/06/1075210006.db2.gz	XDWVVQPGINOLOW-FGZHOGPDSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675577136	1075210010	/nfs/dbraw/zinc/21/00/10/1075210010.db2.gz	XDWVVQPGINOLOW-FGZHOGPDSA-N	1	1	415.582	1.309	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1	ZINC000675576132	1075210037	/nfs/dbraw/zinc/21/00/37/1075210037.db2.gz	GJBKSFMMGDBTQG-YVWKXTFCSA-N	1	1	410.522	1.830	20	0		HDADMO
O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675582080	1075212645	/nfs/dbraw/zinc/21/26/45/1075212645.db2.gz	SMDPWMVEEZGVKC-NFBKMPQASA-N	1	1	414.550	1.714	20	0		HDADMO
O=S(=O)(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc2c1OCO2	ZINC000509353990	1075224821	/nfs/dbraw/zinc/22/48/21/1075224821.db2.gz	GWJIWIRGARVUAW-UHFFFAOYSA-N	1	1	419.507	1.086	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)n1	ZINC000426682283	1075225069	/nfs/dbraw/zinc/22/50/69/1075225069.db2.gz	HIGHZXAPUFCVCB-GDBMZVCRSA-N	1	1	403.483	1.884	20	0		HDADMO
O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000675588092	1075226305	/nfs/dbraw/zinc/22/63/05/1075226305.db2.gz	PSWULXFVNJRMKC-CQSZACIVSA-N	1	1	403.405	1.097	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccc2)c1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000675588325	1075226391	/nfs/dbraw/zinc/22/63/91/1075226391.db2.gz	YLUMURFZVUNOPB-HXUWFJFHSA-N	1	1	411.506	1.583	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1	ZINC000675588004	1075226739	/nfs/dbraw/zinc/22/67/39/1075226739.db2.gz	OJJWMGJYZXPDCH-UHFFFAOYSA-N	1	1	410.522	1.295	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)[C@@H](C)C1	ZINC000507310357	1075230303	/nfs/dbraw/zinc/23/03/03/1075230303.db2.gz	BYBWGUWJEFDVIQ-LBPRGKRZSA-N	1	1	410.400	1.777	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)[C@@H](C)C1	ZINC000507310357	1075230305	/nfs/dbraw/zinc/23/03/05/1075230305.db2.gz	BYBWGUWJEFDVIQ-LBPRGKRZSA-N	1	1	410.400	1.777	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc(C4CC4)nn3)CC2)CC1	ZINC000448148152	1075230671	/nfs/dbraw/zinc/23/06/71/1075230671.db2.gz	PUGKSSWNBWTKOT-UHFFFAOYSA-N	1	1	400.527	2.152	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cc(C(C)C)on3)cc2)CC1	ZINC000441783966	1075232473	/nfs/dbraw/zinc/23/24/73/1075232473.db2.gz	DHEICODPLNTACT-UHFFFAOYSA-N	1	1	413.522	2.190	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2cc(C(C)C)on2)CC1	ZINC000441793570	1075232813	/nfs/dbraw/zinc/23/28/13/1075232813.db2.gz	UQNAKYKXDKCKPT-UHFFFAOYSA-N	1	1	413.522	2.190	20	0		HDADMO
O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000675598445	1075235348	/nfs/dbraw/zinc/23/53/48/1075235348.db2.gz	UYBLSBRZEDUXFH-ICSRJNTNSA-N	1	1	411.506	1.231	20	0		HDADMO
C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+](C2CCC2)C1	ZINC000429365869	1075240708	/nfs/dbraw/zinc/24/07/08/1075240708.db2.gz	KEDWPLUIGUXFCK-INIZCTEOSA-N	1	1	408.568	1.682	20	0		HDADMO
C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000675621866	1075242082	/nfs/dbraw/zinc/24/20/82/1075242082.db2.gz	QCFAAXKJNYPASE-YPMHNXCESA-N	1	1	400.292	1.846	20	0		HDADMO
CO[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Cl	ZINC000675651521	1075247219	/nfs/dbraw/zinc/24/72/19/1075247219.db2.gz	ALDNBFQXSFHSAO-LPHOPBHVSA-N	1	1	410.946	1.733	20	0		HDADMO
COc1cc(OC)cc(OCCNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000675650369	1075247380	/nfs/dbraw/zinc/24/73/80/1075247380.db2.gz	BAKZUOUQEXNLMO-MRXNPFEDSA-N	1	1	406.527	1.550	20	0		HDADMO
COc1cc(OC)cc(OCCNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000675650369	1075247385	/nfs/dbraw/zinc/24/73/85/1075247385.db2.gz	BAKZUOUQEXNLMO-MRXNPFEDSA-N	1	1	406.527	1.550	20	0		HDADMO
CO[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Cl	ZINC000675651524	1075247444	/nfs/dbraw/zinc/24/74/44/1075247444.db2.gz	ALDNBFQXSFHSAO-QFBILLFUSA-N	1	1	410.946	1.733	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1	ZINC000445160418	1075251036	/nfs/dbraw/zinc/25/10/36/1075251036.db2.gz	PNUONUBFZDHJIE-QFBILLFUSA-N	1	1	401.511	2.369	20	0		HDADMO
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000675720421	1075259846	/nfs/dbraw/zinc/25/98/46/1075259846.db2.gz	RCAMHMBZUYVQIL-UHFFFAOYSA-N	1	1	423.926	1.478	20	0		HDADMO
Cc1ccc(Br)c(S(=O)(=O)NCCNc2[nH+]cnc3[nH]ccc32)c1	ZINC000553704742	1075268348	/nfs/dbraw/zinc/26/83/48/1075268348.db2.gz	BQCSNTJWDLLNNS-UHFFFAOYSA-N	1	1	410.297	2.419	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)NC3CCN(c4nccs4)CC3)CC2)CC1	ZINC000466697919	1075269759	/nfs/dbraw/zinc/26/97/59/1075269759.db2.gz	YLYABIRNTDGGLT-UHFFFAOYSA-N	1	1	420.583	1.308	20	0		HDADMO
Cc1noc([C@H]2CCC[N@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C2)n1	ZINC000509366359	1075272389	/nfs/dbraw/zinc/27/23/89/1075272389.db2.gz	NZLHDCATSDXWKR-KRWDZBQOSA-N	1	1	406.508	1.779	20	0		HDADMO
Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C2)n1	ZINC000509366359	1075272390	/nfs/dbraw/zinc/27/23/90/1075272390.db2.gz	NZLHDCATSDXWKR-KRWDZBQOSA-N	1	1	406.508	1.779	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466705822	1075284507	/nfs/dbraw/zinc/28/45/07/1075284507.db2.gz	PAVHOCBFIXNIMD-QFBILLFUSA-N	1	1	421.501	1.934	20	0		HDADMO
COCCOCc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1	ZINC000675859964	1075284605	/nfs/dbraw/zinc/28/46/05/1075284605.db2.gz	IEMJMOZMRXVOCX-IBGZPJMESA-N	1	1	404.511	1.620	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[N@H+]1Cc1ccccc1	ZINC000466705513	1075285220	/nfs/dbraw/zinc/28/52/20/1075285220.db2.gz	OBNDKZMTSZGPSP-FUHWJXTLSA-N	1	1	424.501	1.659	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1	ZINC000675898913	1075288108	/nfs/dbraw/zinc/28/81/08/1075288108.db2.gz	RYEQBHJQXRYSMD-RDTXWAMCSA-N	1	1	416.349	1.972	20	0		HDADMO
COCCOc1cncc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c1	ZINC000509373257	1075288329	/nfs/dbraw/zinc/28/83/29/1075288329.db2.gz	QKVHVPVBGSSDKN-UHFFFAOYSA-N	1	1	412.490	1.676	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1	ZINC000675900021	1075288497	/nfs/dbraw/zinc/28/84/97/1075288497.db2.gz	UAKKYSFUBBLELR-INIZCTEOSA-N	1	1	406.328	1.835	20	0		HDADMO
C[C@H]1N(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CCOC1(C)C	ZINC000675886072	1075289534	/nfs/dbraw/zinc/28/95/34/1075289534.db2.gz	MLUZKKDOYOHVTP-QGZVFWFLSA-N	1	1	417.554	1.928	20	0		HDADMO
CN(C)c1noc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)n1	ZINC001035207790	1075293496	/nfs/dbraw/zinc/29/34/96/1075293496.db2.gz	HSQOCXCRDYYWCJ-OCABDXPQSA-N	1	1	401.511	1.374	20	0		HDADMO
CN(C)c1noc(C[N@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)n1	ZINC001035207790	1075293499	/nfs/dbraw/zinc/29/34/99/1075293499.db2.gz	HSQOCXCRDYYWCJ-OCABDXPQSA-N	1	1	401.511	1.374	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)[nH+]c1	ZINC000549622462	1075301727	/nfs/dbraw/zinc/30/17/27/1075301727.db2.gz	RIGXQZVRZFBGBP-UHFFFAOYSA-N	1	1	413.526	1.777	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)[nH+]c1	ZINC000410121872	1075303993	/nfs/dbraw/zinc/30/39/93/1075303993.db2.gz	AYQWAVGSNGQVOQ-OAHLLOKOSA-N	1	1	402.451	1.660	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731294796	1075304469	/nfs/dbraw/zinc/30/44/69/1075304469.db2.gz	OQPMCEWVNWJCNK-GDBMZVCRSA-N	1	1	415.494	1.859	20	0		HDADMO
OC[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1cccc(OC(F)(F)F)c1	ZINC000546757476	1075307232	/nfs/dbraw/zinc/30/72/32/1075307232.db2.gz	AKELPXXTWWKTBU-HNNXBMFYSA-N	1	1	412.412	2.475	20	0		HDADMO
COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429387847	1075308182	/nfs/dbraw/zinc/30/81/82/1075308182.db2.gz	PTXUPJKJTXACGJ-KRWDZBQOSA-N	1	1	402.539	1.710	20	0		HDADMO
O[C@@H](CNc1cc(NC[C@@H](O)[C@H]2CCOC2)[nH+]c(-c2ccccc2)n1)[C@H]1CCOC1	ZINC000553103400	1075310558	/nfs/dbraw/zinc/31/05/58/1075310558.db2.gz	KSLXGOHGANZCQN-CADBVGFASA-N	1	1	414.506	1.762	20	0		HDADMO
O[C@@H](CNc1cc(NC[C@@H](O)[C@H]2CCOC2)nc(-c2ccccc2)[nH+]1)[C@H]1CCOC1	ZINC000553103400	1075310562	/nfs/dbraw/zinc/31/05/62/1075310562.db2.gz	KSLXGOHGANZCQN-CADBVGFASA-N	1	1	414.506	1.762	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC2)CC1	ZINC000731350998	1075314277	/nfs/dbraw/zinc/31/42/77/1075314277.db2.gz	HWCDSSZJXGAWEH-UHFFFAOYSA-N	1	1	410.559	1.692	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3nnc4ccccc4c3=S)CC2)CC1	ZINC000731356169	1075318492	/nfs/dbraw/zinc/31/84/92/1075318492.db2.gz	RBIXSZBBIZFEEG-UHFFFAOYSA-N	1	1	400.552	1.994	20	0		HDADMO
COc1cccc(OCCN2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)c1	ZINC000675995355	1075319794	/nfs/dbraw/zinc/31/97/94/1075319794.db2.gz	PYXZQRCJGGBGMF-LJQANCHMSA-N	1	1	402.539	1.886	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C1	ZINC000533003466	1075340707	/nfs/dbraw/zinc/34/07/07/1075340707.db2.gz	KEKNUOWQOYLKGO-KBPBESRZSA-N	1	1	419.448	1.637	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	ZINC000804084070	1075351426	/nfs/dbraw/zinc/35/14/26/1075351426.db2.gz	LHHPZCASJFQIBE-SFHVURJKSA-N	1	1	411.930	1.306	20	0		HDADMO
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000676097041	1075360509	/nfs/dbraw/zinc/36/05/09/1075360509.db2.gz	LYRKBFHWKIWXIG-SFHVURJKSA-N	1	1	412.538	1.506	20	0		HDADMO
CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000676097199	1075362665	/nfs/dbraw/zinc/36/26/65/1075362665.db2.gz	KAGOLPCKVSQUNZ-FQEVSTJZSA-N	1	1	412.538	1.506	20	0		HDADMO
COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)cc(C(=O)OC)c1	ZINC000429395956	1075363475	/nfs/dbraw/zinc/36/34/75/1075363475.db2.gz	AJYZJGYIHXIDRD-WMZOPIPTSA-N	1	1	420.462	1.718	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1	ZINC000731484098	1075366165	/nfs/dbraw/zinc/36/61/65/1075366165.db2.gz	DFUMGXWKCSKEIM-SFHVURJKSA-N	1	1	416.588	1.640	20	0		HDADMO
CN(C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000804086713	1075370083	/nfs/dbraw/zinc/37/00/83/1075370083.db2.gz	CDPWXZZXTFEMOS-HLLBOEOZSA-N	1	1	408.543	1.634	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1	ZINC000731541760	1075384244	/nfs/dbraw/zinc/38/42/44/1075384244.db2.gz	CRFNJWWKPHZLPC-FQEVSTJZSA-N	1	1	422.957	1.959	20	0		HDADMO
C[C@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ccncc1	ZINC000676110613	1075385662	/nfs/dbraw/zinc/38/56/62/1075385662.db2.gz	HHSWKRHXGXTJHM-GOSISDBHSA-N	1	1	401.555	1.272	20	0		HDADMO
O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676131096	1075391239	/nfs/dbraw/zinc/39/12/39/1075391239.db2.gz	MUGNQFVUNDWUMA-NQIIRXRSSA-N	1	1	408.502	1.977	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)CC2)C1	ZINC000676151908	1075401168	/nfs/dbraw/zinc/40/11/68/1075401168.db2.gz	YKQNZNMNQLIKEB-HTAPYJJXSA-N	1	1	419.570	1.116	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H]1c1ccc(O)cc1	ZINC000676187257	1075418152	/nfs/dbraw/zinc/41/81/52/1075418152.db2.gz	ALHZTEBTNROSSK-WOJBJXKFSA-N	1	1	401.507	1.769	20	0		HDADMO
O=Cc1ccc(OCCC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000731623757	1075418679	/nfs/dbraw/zinc/41/86/79/1075418679.db2.gz	IXBZJUXGKDPISL-UHFFFAOYSA-N	1	1	409.486	1.729	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccoc2COc2ccc(C=O)cc2)C1	ZINC000731626817	1075419891	/nfs/dbraw/zinc/41/98/91/1075419891.db2.gz	HADDIUDXNZFQOY-QGZVFWFLSA-N	1	1	413.474	1.988	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000504352441	1075426494	/nfs/dbraw/zinc/42/64/94/1075426494.db2.gz	RFEBQSUJKKARDG-OAHLLOKOSA-N	1	1	402.474	1.890	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1	ZINC000556528131	1075427033	/nfs/dbraw/zinc/42/70/33/1075427033.db2.gz	ZTCKGPSJHACCOO-SJCJKPOMSA-N	1	1	421.860	2.025	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)nn1	ZINC000551417223	1075427061	/nfs/dbraw/zinc/42/70/61/1075427061.db2.gz	WPSICODXVBWVHP-INIZCTEOSA-N	1	1	413.478	1.776	20	0		HDADMO
CC(=O)c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c(S(N)(=O)=O)c1	ZINC000676196302	1075432748	/nfs/dbraw/zinc/43/27/48/1075432748.db2.gz	VDYSUCOFCLBNNP-UHFFFAOYSA-N	1	1	403.504	1.981	20	0		HDADMO
NC(=O)c1csc(C[NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c1	ZINC000676199157	1075434587	/nfs/dbraw/zinc/43/45/87/1075434587.db2.gz	NZKVWYMQMSUPJK-INIZCTEOSA-N	1	1	403.504	1.811	20	0		HDADMO
Cc1ccc(C)c(N2N=C(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CCC2=O)c1	ZINC000731655267	1075438627	/nfs/dbraw/zinc/43/86/27/1075438627.db2.gz	HCLCGKWEGPICNA-UHFFFAOYSA-N	1	1	413.522	1.455	20	0		HDADMO
CCOc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1	ZINC000731655285	1075438697	/nfs/dbraw/zinc/43/86/97/1075438697.db2.gz	IRPBLWZNUBZDHJ-INIZCTEOSA-N	1	1	416.522	1.107	20	0		HDADMO
Cc1cc(C)c(N2C[C@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)c(C)c1	ZINC000731655306	1075438726	/nfs/dbraw/zinc/43/87/26/1075438726.db2.gz	KECFJIARIWIFDN-GOSISDBHSA-N	1	1	414.550	1.634	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731640034	1075442119	/nfs/dbraw/zinc/44/21/19/1075442119.db2.gz	DEYYEOSSJUAVEK-UHFFFAOYSA-N	1	1	417.506	1.289	20	0		HDADMO
COc1cc(Br)c(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OC	ZINC000676244126	1075445394	/nfs/dbraw/zinc/44/53/94/1075445394.db2.gz	PFMDKXHPZYPTNA-BZNIZROVSA-N	1	1	416.316	1.985	20	0		HDADMO
COc1cc(Br)c(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OC	ZINC000676244126	1075445395	/nfs/dbraw/zinc/44/53/95/1075445395.db2.gz	PFMDKXHPZYPTNA-BZNIZROVSA-N	1	1	416.316	1.985	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676246623	1075447313	/nfs/dbraw/zinc/44/73/13/1075447313.db2.gz	XPERNTWPGTZSHF-JGGQBBKZSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676246623	1075447318	/nfs/dbraw/zinc/44/73/18/1075447318.db2.gz	XPERNTWPGTZSHF-JGGQBBKZSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676246624	1075447372	/nfs/dbraw/zinc/44/73/72/1075447372.db2.gz	XPERNTWPGTZSHF-NOLJZWGESA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676246624	1075447376	/nfs/dbraw/zinc/44/73/76/1075447376.db2.gz	XPERNTWPGTZSHF-NOLJZWGESA-N	1	1	414.428	1.829	20	0		HDADMO
CC(C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[NH+]1CCN(C)CC1	ZINC000731686841	1075450187	/nfs/dbraw/zinc/45/01/87/1075450187.db2.gz	BWBNFEFIXAKMQW-GOSISDBHSA-N	1	1	401.486	1.373	20	0		HDADMO
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676257976	1075452726	/nfs/dbraw/zinc/45/27/26/1075452726.db2.gz	BBXIKTIUHQIIKF-QFBILLFUSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257976	1075452729	/nfs/dbraw/zinc/45/27/29/1075452729.db2.gz	BBXIKTIUHQIIKF-QFBILLFUSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257816	1075452732	/nfs/dbraw/zinc/45/27/32/1075452732.db2.gz	KKUWHJPRICUSJA-WFASDCNBSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257816	1075452734	/nfs/dbraw/zinc/45/27/34/1075452734.db2.gz	KKUWHJPRICUSJA-WFASDCNBSA-N	1	1	413.316	1.796	20	0		HDADMO
CC[C@@H](CNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1)[N@H+]1CCc2ccccc2C1	ZINC000425915669	1075456087	/nfs/dbraw/zinc/45/60/87/1075456087.db2.gz	DIBMEPAPCZTJIG-APWZRJJASA-N	1	1	413.522	1.982	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1	ZINC000731672570	1075456916	/nfs/dbraw/zinc/45/69/16/1075456916.db2.gz	WVKJLUQSWZGZCN-ROUUACIJSA-N	1	1	412.575	1.401	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676261112	1075457696	/nfs/dbraw/zinc/45/76/96/1075457696.db2.gz	KFOLMMPHKUPOAK-QRTARXTBSA-N	1	1	413.440	1.889	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261112	1075457712	/nfs/dbraw/zinc/45/77/12/1075457712.db2.gz	KFOLMMPHKUPOAK-QRTARXTBSA-N	1	1	413.440	1.889	20	0		HDADMO
C[C@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@@H]1C[N@H+](C)CCO1	ZINC000676259285	1075457735	/nfs/dbraw/zinc/45/77/35/1075457735.db2.gz	UBHIEWRABAHJPR-LRDDRELGSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259285	1075457737	/nfs/dbraw/zinc/45/77/37/1075457737.db2.gz	UBHIEWRABAHJPR-LRDDRELGSA-N	1	1	400.476	1.206	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c(C)c1	ZINC000676260740	1075458129	/nfs/dbraw/zinc/45/81/29/1075458129.db2.gz	WVNUVPBBHRLDNF-MJGOQNOKSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c(C)c1	ZINC000676260740	1075458131	/nfs/dbraw/zinc/45/81/31/1075458131.db2.gz	WVNUVPBBHRLDNF-MJGOQNOKSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2)cc1	ZINC000676260564	1075458897	/nfs/dbraw/zinc/45/88/97/1075458897.db2.gz	FZAIQLILACXENT-JENIJYKNSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2)cc1	ZINC000676260564	1075458899	/nfs/dbraw/zinc/45/88/99/1075458899.db2.gz	FZAIQLILACXENT-JENIJYKNSA-N	1	1	409.552	1.231	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[N@H+](C)CCO1	ZINC000676260362	1075459319	/nfs/dbraw/zinc/45/93/19/1075459319.db2.gz	CSMPAZVMSZGMGS-KXBFYZLASA-N	1	1	409.552	1.069	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260362	1075459322	/nfs/dbraw/zinc/45/93/22/1075459322.db2.gz	CSMPAZVMSZGMGS-KXBFYZLASA-N	1	1	409.552	1.069	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676261616	1075460628	/nfs/dbraw/zinc/46/06/28/1075460628.db2.gz	YBXGCRHNHCJTAF-NVXWUHKLSA-N	1	1	410.540	1.702	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676261616	1075460629	/nfs/dbraw/zinc/46/06/29/1075460629.db2.gz	YBXGCRHNHCJTAF-NVXWUHKLSA-N	1	1	410.540	1.702	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)cc2)CC1	ZINC000676265690	1075464387	/nfs/dbraw/zinc/46/43/87/1075464387.db2.gz	XYRNEASRUGDZJS-PXNSSMCTSA-N	1	1	417.554	1.234	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676249130	1075464830	/nfs/dbraw/zinc/46/48/30/1075464830.db2.gz	FALLLEQGSVHMPR-DOTOQJQBSA-N	1	1	409.600	1.987	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676249130	1075464835	/nfs/dbraw/zinc/46/48/35/1075464835.db2.gz	FALLLEQGSVHMPR-DOTOQJQBSA-N	1	1	409.600	1.987	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676249134	1075464921	/nfs/dbraw/zinc/46/49/21/1075464921.db2.gz	FALLLEQGSVHMPR-RDJZCZTQSA-N	1	1	409.600	1.987	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676249134	1075464930	/nfs/dbraw/zinc/46/49/30/1075464930.db2.gz	FALLLEQGSVHMPR-RDJZCZTQSA-N	1	1	409.600	1.987	20	0		HDADMO
Cc1cc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1Br	ZINC000676249247	1075465912	/nfs/dbraw/zinc/46/59/12/1075465912.db2.gz	MTXYXRNWWPNKCW-WFASDCNBSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1cc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1Br	ZINC000676249247	1075465918	/nfs/dbraw/zinc/46/59/18/1075465918.db2.gz	MTXYXRNWWPNKCW-WFASDCNBSA-N	1	1	413.316	1.714	20	0		HDADMO
COc1cc(OC)cc(N2CCCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676249990	1075466569	/nfs/dbraw/zinc/46/65/69/1075466569.db2.gz	KFQVSHJYCGTJBH-OXQOHEQNSA-N	1	1	406.527	1.645	20	0		HDADMO
COc1cc(OC)cc(N2CCCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676249990	1075466575	/nfs/dbraw/zinc/46/65/75/1075466575.db2.gz	KFQVSHJYCGTJBH-OXQOHEQNSA-N	1	1	406.527	1.645	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676249827	1075466688	/nfs/dbraw/zinc/46/66/88/1075466688.db2.gz	CMMSVTJQWOGWJF-PXNSSMCTSA-N	1	1	402.539	1.752	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676249827	1075466692	/nfs/dbraw/zinc/46/66/92/1075466692.db2.gz	CMMSVTJQWOGWJF-PXNSSMCTSA-N	1	1	402.539	1.752	20	0		HDADMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731683872	1075468295	/nfs/dbraw/zinc/46/82/95/1075468295.db2.gz	KVRMOHOHSQDQBX-INIZCTEOSA-N	1	1	402.605	1.305	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251449	1075469521	/nfs/dbraw/zinc/46/95/21/1075469521.db2.gz	MRJKFUOFSSCKGL-UZLBHIALSA-N	1	1	400.523	1.716	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251449	1075469530	/nfs/dbraw/zinc/46/95/30/1075469530.db2.gz	MRJKFUOFSSCKGL-UZLBHIALSA-N	1	1	400.523	1.716	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676255033	1075472485	/nfs/dbraw/zinc/47/24/85/1075472485.db2.gz	RHQZAJNMIXIBHG-QFBILLFUSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676255033	1075472490	/nfs/dbraw/zinc/47/24/90/1075472490.db2.gz	RHQZAJNMIXIBHG-QFBILLFUSA-N	1	1	424.567	1.948	20	0		HDADMO
Cc1c[nH+]c(N[C@@H](CCO)C2CCOCC2)nc1N[C@H](CCO)C1CCOCC1	ZINC000460951965	1075472852	/nfs/dbraw/zinc/47/28/52/1075472852.db2.gz	NEJAIPHVOLDOJR-MOPGFXCFSA-N	1	1	408.543	1.964	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277965	1075476962	/nfs/dbraw/zinc/47/69/62/1075476962.db2.gz	CSHVIYBFNVPLFH-JXFKEZNVSA-N	1	1	424.501	1.737	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277965	1075476964	/nfs/dbraw/zinc/47/69/64/1075476964.db2.gz	CSHVIYBFNVPLFH-JXFKEZNVSA-N	1	1	424.501	1.737	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676278969	1075479216	/nfs/dbraw/zinc/47/92/16/1075479216.db2.gz	LCXBVRSVUZKSJJ-NOZJJQNGSA-N	1	1	423.363	1.663	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676278969	1075479219	/nfs/dbraw/zinc/47/92/19/1075479219.db2.gz	LCXBVRSVUZKSJJ-NOZJJQNGSA-N	1	1	423.363	1.663	20	0		HDADMO
Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)Nc1ccn(C)n1	ZINC000448539508	1075479432	/nfs/dbraw/zinc/47/94/32/1075479432.db2.gz	VMOQNSDERKUJSP-QGZVFWFLSA-N	1	1	407.478	1.949	20	0		HDADMO
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc2F)n1	ZINC000676278684	1075480368	/nfs/dbraw/zinc/48/03/68/1075480368.db2.gz	JXLJCHHUFSNCCV-KSSFIOAISA-N	1	1	403.458	1.402	20	0		HDADMO
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2F)n1	ZINC000676278684	1075480371	/nfs/dbraw/zinc/48/03/71/1075480371.db2.gz	JXLJCHHUFSNCCV-KSSFIOAISA-N	1	1	403.458	1.402	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1C[N@H+](C)CCO1	ZINC000676280006	1075482034	/nfs/dbraw/zinc/48/20/34/1075482034.db2.gz	SKSMLFSYNJNUNG-HZMBPMFUSA-N	1	1	414.275	1.313	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280006	1075482040	/nfs/dbraw/zinc/48/20/40/1075482040.db2.gz	SKSMLFSYNJNUNG-HZMBPMFUSA-N	1	1	414.275	1.313	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676279746	1075483229	/nfs/dbraw/zinc/48/32/29/1075483229.db2.gz	PPLLWQCKPBJRSG-ZUZCIYMTSA-N	1	1	416.400	1.438	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676279746	1075483231	/nfs/dbraw/zinc/48/32/31/1075483231.db2.gz	PPLLWQCKPBJRSG-ZUZCIYMTSA-N	1	1	416.400	1.438	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279751	1075483282	/nfs/dbraw/zinc/48/32/82/1075483282.db2.gz	PUKJYVNGCYPZBW-GWCFXTLKSA-N	1	1	409.393	1.448	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279751	1075483285	/nfs/dbraw/zinc/48/32/85/1075483285.db2.gz	PUKJYVNGCYPZBW-GWCFXTLKSA-N	1	1	409.393	1.448	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(Br)c1	ZINC000676279442	1075484581	/nfs/dbraw/zinc/48/45/81/1075484581.db2.gz	NPDKSCQSDFXCEF-YGRLFVJLSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(Br)c1	ZINC000676279442	1075484582	/nfs/dbraw/zinc/48/45/82/1075484582.db2.gz	NPDKSCQSDFXCEF-YGRLFVJLSA-N	1	1	400.273	1.232	20	0		HDADMO
COCCCn1ccc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000429416962	1075485272	/nfs/dbraw/zinc/48/52/72/1075485272.db2.gz	FMTUOCFWQJXRCS-OAQYLSRUSA-N	1	1	401.511	2.020	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OCC1CCOCC1	ZINC000676280735	1075486079	/nfs/dbraw/zinc/48/60/79/1075486079.db2.gz	WEIVYUDBRWCCMI-JXFKEZNVSA-N	1	1	419.522	1.574	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OCC1CCOCC1	ZINC000676280735	1075486082	/nfs/dbraw/zinc/48/60/82/1075486082.db2.gz	WEIVYUDBRWCCMI-JXFKEZNVSA-N	1	1	419.522	1.574	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[N@H+](C)CCO1	ZINC000676281716	1075488305	/nfs/dbraw/zinc/48/83/05/1075488305.db2.gz	OIVFVGDWKCEKHQ-VQIMIIECSA-N	1	1	412.490	1.477	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281716	1075488310	/nfs/dbraw/zinc/48/83/10/1075488310.db2.gz	OIVFVGDWKCEKHQ-VQIMIIECSA-N	1	1	412.490	1.477	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676281606	1075488737	/nfs/dbraw/zinc/48/87/37/1075488737.db2.gz	ZDRRTOHBSLSSKN-ABAIWWIYSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676281606	1075488740	/nfs/dbraw/zinc/48/87/40/1075488740.db2.gz	ZDRRTOHBSLSSKN-ABAIWWIYSA-N	1	1	403.401	1.878	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676281375	1075489150	/nfs/dbraw/zinc/48/91/50/1075489150.db2.gz	VZRYMWMNIMOVQT-SUMWQHHRSA-N	1	1	405.886	1.359	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281375	1075489157	/nfs/dbraw/zinc/48/91/57/1075489157.db2.gz	VZRYMWMNIMOVQT-SUMWQHHRSA-N	1	1	405.886	1.359	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C	ZINC000438782582	1075489221	/nfs/dbraw/zinc/48/92/21/1075489221.db2.gz	NVPJKZWXMYPMPL-DZOHQFGASA-N	1	1	405.543	2.201	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1C[N@H+](C)CCO1	ZINC000676287060	1075491153	/nfs/dbraw/zinc/49/11/53/1075491153.db2.gz	NOJSWSZFNLGNMM-KKUMJFAQSA-N	1	1	401.554	1.127	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676287060	1075491155	/nfs/dbraw/zinc/49/11/55/1075491155.db2.gz	NOJSWSZFNLGNMM-KKUMJFAQSA-N	1	1	401.554	1.127	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(C)c1	ZINC000676289332	1075494927	/nfs/dbraw/zinc/49/49/27/1075494927.db2.gz	FKIQOTWSIXWTGR-IPMKNSEASA-N	1	1	423.579	1.600	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(C)c1	ZINC000676289332	1075494931	/nfs/dbraw/zinc/49/49/31/1075494931.db2.gz	FKIQOTWSIXWTGR-IPMKNSEASA-N	1	1	423.579	1.600	20	0		HDADMO
CC[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)[N@H+]1CCc2ccccc2C1	ZINC000676290489	1075495159	/nfs/dbraw/zinc/49/51/59/1075495159.db2.gz	ZKPFSACYNGNVET-HXUWFJFHSA-N	1	1	401.555	1.239	20	0		HDADMO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676303595	1075502263	/nfs/dbraw/zinc/50/22/63/1075502263.db2.gz	FHZYZKOUBJAXHV-NLWGTHIKSA-N	1	1	418.538	1.335	20	0		HDADMO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676303595	1075502267	/nfs/dbraw/zinc/50/22/67/1075502267.db2.gz	FHZYZKOUBJAXHV-NLWGTHIKSA-N	1	1	418.538	1.335	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676303722	1075502332	/nfs/dbraw/zinc/50/23/32/1075502332.db2.gz	HUUPPFWDDVCSKN-KFKAGJAMSA-N	1	1	410.946	1.420	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676303722	1075502335	/nfs/dbraw/zinc/50/23/35/1075502335.db2.gz	HUUPPFWDDVCSKN-KFKAGJAMSA-N	1	1	410.946	1.420	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1F	ZINC000676305523	1075503474	/nfs/dbraw/zinc/50/34/74/1075503474.db2.gz	PVZITBXPSBZRKQ-JXFKEZNVSA-N	1	1	420.529	1.891	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1F	ZINC000676305523	1075503475	/nfs/dbraw/zinc/50/34/75/1075503475.db2.gz	PVZITBXPSBZRKQ-JXFKEZNVSA-N	1	1	420.529	1.891	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)CC2	ZINC000676306504	1075504380	/nfs/dbraw/zinc/50/43/80/1075504380.db2.gz	VDWJZULVNHOPIG-KSSFIOAISA-N	1	1	407.511	1.542	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)CC2	ZINC000676306504	1075504382	/nfs/dbraw/zinc/50/43/82/1075504382.db2.gz	VDWJZULVNHOPIG-KSSFIOAISA-N	1	1	407.511	1.542	20	0		HDADMO
C[C@@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676306927	1075504428	/nfs/dbraw/zinc/50/44/28/1075504428.db2.gz	XCOCATXBMOTKGY-QRWLVFNGSA-N	1	1	400.523	1.972	20	0		HDADMO
C[C@@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306927	1075504432	/nfs/dbraw/zinc/50/44/32/1075504432.db2.gz	XCOCATXBMOTKGY-QRWLVFNGSA-N	1	1	400.523	1.972	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676306584	1075504670	/nfs/dbraw/zinc/50/46/70/1075504670.db2.gz	LRHRGKZMNPKFGP-CZUORRHYSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676306584	1075504672	/nfs/dbraw/zinc/50/46/72/1075504672.db2.gz	LRHRGKZMNPKFGP-CZUORRHYSA-N	1	1	409.918	1.814	20	0		HDADMO
O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccnn1Cc1ccccc1Cl	ZINC000676317770	1075506824	/nfs/dbraw/zinc/50/68/24/1075506824.db2.gz	MNYCECZTRRRYEL-KRWDZBQOSA-N	1	1	403.914	1.930	20	0		HDADMO
O=C(Cc1cccc(Cl)c1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676310968	1075508985	/nfs/dbraw/zinc/50/89/85/1075508985.db2.gz	GLDVTHJWDAJILQ-UHFFFAOYSA-N	1	1	401.898	1.858	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676334484	1075510653	/nfs/dbraw/zinc/51/06/53/1075510653.db2.gz	XKRITRKXUDPXDX-APWZRJJASA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676334484	1075510657	/nfs/dbraw/zinc/51/06/57/1075510657.db2.gz	XKRITRKXUDPXDX-APWZRJJASA-N	1	1	409.552	1.556	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1	ZINC000731755713	1075512499	/nfs/dbraw/zinc/51/24/99/1075512499.db2.gz	AXRWMIBLCKKZSC-QGZVFWFLSA-N	1	1	410.453	1.858	20	0		HDADMO
C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000676338887	1075512786	/nfs/dbraw/zinc/51/27/86/1075512786.db2.gz	RSKVUSBQYNBRDM-IUODEOHRSA-N	1	1	419.469	1.973	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cc1)[NH+]1CCOCC1	ZINC000509405238	1075513220	/nfs/dbraw/zinc/51/32/20/1075513220.db2.gz	IORTYVMUVZOEOP-LAUBAEHRSA-N	1	1	411.502	1.738	20	0		HDADMO
CS(=O)(=O)CCN1CCC(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000731761484	1075515020	/nfs/dbraw/zinc/51/50/20/1075515020.db2.gz	OCSVAIJWWJAWLU-UHFFFAOYSA-N	1	1	408.568	1.023	20	0		HDADMO
Cc1nc(C[NH+]2CCC(C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)cs1	ZINC000597785988	1075515775	/nfs/dbraw/zinc/51/57/75/1075515775.db2.gz	CLAWJQRPNHHJJA-UHFFFAOYSA-N	1	1	418.567	1.831	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000676331790	1075521653	/nfs/dbraw/zinc/52/16/53/1075521653.db2.gz	AZZIOZHSPCRIDU-RWSFTLGLSA-N	1	1	424.295	1.269	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000676331790	1075521655	/nfs/dbraw/zinc/52/16/55/1075521655.db2.gz	AZZIOZHSPCRIDU-RWSFTLGLSA-N	1	1	424.295	1.269	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc(C3CC3)nc21	ZINC000676332873	1075522586	/nfs/dbraw/zinc/52/25/86/1075522586.db2.gz	UMTYVXCEYKRSIA-LRDDRELGSA-N	1	1	415.494	1.233	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc(C3CC3)nc21	ZINC000676332873	1075522593	/nfs/dbraw/zinc/52/25/93/1075522593.db2.gz	UMTYVXCEYKRSIA-LRDDRELGSA-N	1	1	415.494	1.233	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676332832	1075522687	/nfs/dbraw/zinc/52/26/87/1075522687.db2.gz	TYLKYPPGRATMHP-KUHUBIRLSA-N	1	1	408.458	1.327	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332832	1075522692	/nfs/dbraw/zinc/52/26/92/1075522692.db2.gz	TYLKYPPGRATMHP-KUHUBIRLSA-N	1	1	408.458	1.327	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1	ZINC000676365911	1075525617	/nfs/dbraw/zinc/52/56/17/1075525617.db2.gz	FMYOYXRJJXLXRM-CYBMUJFWSA-N	1	1	400.483	1.570	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1	ZINC000731826830	1075525686	/nfs/dbraw/zinc/52/56/86/1075525686.db2.gz	MBFCZAITJGXHJY-WBNHJWIASA-N	1	1	421.563	1.224	20	0		HDADMO
O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000429428033	1075528100	/nfs/dbraw/zinc/52/81/00/1075528100.db2.gz	OYJSCVBLCUXZSR-GOSISDBHSA-N	1	1	401.511	1.079	20	0		HDADMO
CCOC(=O)C1C(CN2CCC[C@H]([NH+](C)C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000731847325	1075530725	/nfs/dbraw/zinc/53/07/25/1075530725.db2.gz	HDRWQYZKLMMYFA-JXFKEZNVSA-N	1	1	416.522	1.892	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1	ZINC000676359978	1075532820	/nfs/dbraw/zinc/53/28/20/1075532820.db2.gz	NPJKOOCNBUAISO-UHFFFAOYSA-N	1	1	412.494	1.947	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC[N@@H+]1CCO	ZINC000429434566	1075535762	/nfs/dbraw/zinc/53/57/62/1075535762.db2.gz	SJKNCZYGIIRIFD-YJBOKZPZSA-N	1	1	405.499	1.517	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC[N@H+]1CCO	ZINC000429434566	1075535770	/nfs/dbraw/zinc/53/57/70/1075535770.db2.gz	SJKNCZYGIIRIFD-YJBOKZPZSA-N	1	1	405.499	1.517	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC[N@@H+]1CCO	ZINC000429434560	1075535865	/nfs/dbraw/zinc/53/58/65/1075535865.db2.gz	SJKNCZYGIIRIFD-CRAIPNDOSA-N	1	1	405.499	1.517	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC[N@H+]1CCO	ZINC000429434560	1075535867	/nfs/dbraw/zinc/53/58/67/1075535867.db2.gz	SJKNCZYGIIRIFD-CRAIPNDOSA-N	1	1	405.499	1.517	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cc(C)n(C)n3)CC2)cs1	ZINC000439486755	1075537248	/nfs/dbraw/zinc/53/72/48/1075537248.db2.gz	NYVIEYOISNAGSP-UHFFFAOYSA-N	1	1	404.540	1.714	20	0		HDADMO
C[NH+](C)[C@@H](CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)c1ccco1	ZINC000804142831	1075543889	/nfs/dbraw/zinc/54/38/89/1075543889.db2.gz	KLHWQGAAUSMVEX-HNAYVOBHSA-N	1	1	405.476	1.753	20	0		HDADMO
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)[C@H]1C[N@H+](C)CCO1	ZINC000676401881	1075544153	/nfs/dbraw/zinc/54/41/53/1075544153.db2.gz	GIJYJXGTNUTOCY-SIXWZSSISA-N	1	1	418.494	1.289	20	0		HDADMO
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)[C@H]1C[N@@H+](C)CCO1	ZINC000676401881	1075544157	/nfs/dbraw/zinc/54/41/57/1075544157.db2.gz	GIJYJXGTNUTOCY-SIXWZSSISA-N	1	1	418.494	1.289	20	0		HDADMO
O=C(CC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000731842900	1075548064	/nfs/dbraw/zinc/54/80/64/1075548064.db2.gz	JYXNYMQWCJNYLH-WCQYABFASA-N	1	1	406.405	1.050	20	0		HDADMO
COc1ccc(C2(CNC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)CCC2)cc1	ZINC000676416997	1075548332	/nfs/dbraw/zinc/54/83/32/1075548332.db2.gz	HTBZLTOSPHNNAB-SFHVURJKSA-N	1	1	415.534	1.414	20	0		HDADMO
CN1CCn2nc(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)cc2S1(=O)=O	ZINC001129210584	1075551715	/nfs/dbraw/zinc/55/17/15/1075551715.db2.gz	VXOHCNPLNVRQPN-UHFFFAOYSA-N	1	1	417.535	1.302	20	0		HDADMO
Cc1cc(CNC(=O)C(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1	ZINC000676453243	1075558161	/nfs/dbraw/zinc/55/81/61/1075558161.db2.gz	KLURSKDFVJETTN-LJQANCHMSA-N	1	1	421.505	1.925	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCc2cc(C)[nH]n2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000676453243	1075558168	/nfs/dbraw/zinc/55/81/68/1075558168.db2.gz	KLURSKDFVJETTN-LJQANCHMSA-N	1	1	421.505	1.925	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCc2cc(C)[nH]n2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676453243	1075558176	/nfs/dbraw/zinc/55/81/76/1075558176.db2.gz	KLURSKDFVJETTN-LJQANCHMSA-N	1	1	421.505	1.925	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	ZINC000731895083	1075560656	/nfs/dbraw/zinc/56/06/56/1075560656.db2.gz	IZSXGBOASCZDQV-UHFFFAOYSA-N	1	1	410.540	1.258	20	0		HDADMO
CCn1c(N)c(C(=O)C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O	ZINC000676485281	1075567631	/nfs/dbraw/zinc/56/76/31/1075567631.db2.gz	FLALCEOEQHUISW-QGZVFWFLSA-N	1	1	414.384	1.250	20	0		HDADMO
C[C@@H](CCNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[N@@H+](C)Cc1ccccc1	ZINC000446731530	1075567710	/nfs/dbraw/zinc/56/77/10/1075567710.db2.gz	JBCMWRRFIIGNNT-AWEZNQCLSA-N	1	1	411.428	2.411	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=S)NCCN3CCOCC3)CC2)cs1	ZINC000731942813	1075572673	/nfs/dbraw/zinc/57/26/73/1075572673.db2.gz	DIFQRTJSSZQXGH-UHFFFAOYSA-N	1	1	411.641	1.714	20	0		HDADMO
CCn1nc(NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C1CC1	ZINC000429177931	1075576922	/nfs/dbraw/zinc/57/69/22/1075576922.db2.gz	SMOATRDUGBKKAG-UHFFFAOYSA-N	1	1	410.522	2.490	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)CCO2	ZINC000676531886	1075576956	/nfs/dbraw/zinc/57/69/56/1075576956.db2.gz	UFQKYZYSRWVRRY-QAPCUYQASA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)CCO2	ZINC000676531886	1075576961	/nfs/dbraw/zinc/57/69/61/1075576961.db2.gz	UFQKYZYSRWVRRY-QAPCUYQASA-N	1	1	419.522	1.329	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCOCc1ccccc1	ZINC000731962753	1075576980	/nfs/dbraw/zinc/57/69/80/1075576980.db2.gz	WGSLSTZHWZDDOP-HXUWFJFHSA-N	1	1	403.523	1.423	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCCOCc1ccccc1	ZINC000731962752	1075577044	/nfs/dbraw/zinc/57/70/44/1075577044.db2.gz	WGSLSTZHWZDDOP-FQEVSTJZSA-N	1	1	403.523	1.423	20	0		HDADMO
Cc1onc(NC(=O)C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)c1C	ZINC000584282092	1075579123	/nfs/dbraw/zinc/57/91/23/1075579123.db2.gz	HEMKXBGFAYTWCN-OAHLLOKOSA-N	1	1	408.499	1.885	20	0		HDADMO
Cc1onc(NC(=O)C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c1C	ZINC000584282092	1075579125	/nfs/dbraw/zinc/57/91/25/1075579125.db2.gz	HEMKXBGFAYTWCN-OAHLLOKOSA-N	1	1	408.499	1.885	20	0		HDADMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1	ZINC000676539822	1075579985	/nfs/dbraw/zinc/57/99/85/1075579985.db2.gz	CZOAOIFNSKQFOG-KRWDZBQOSA-N	1	1	402.605	1.906	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000676539753	1075580037	/nfs/dbraw/zinc/58/00/37/1075580037.db2.gz	DUIVKLRHVKXMAV-ACJLOTCBSA-N	1	1	410.515	1.631	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cccc(-n2cc[nH]c2=O)c1	ZINC000731977850	1075581929	/nfs/dbraw/zinc/58/19/29/1075581929.db2.gz	ZMBWVLPHUBZDBV-SFHVURJKSA-N	1	1	413.478	1.230	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N(C3CC3)C1)CC2	ZINC000429446001	1075582901	/nfs/dbraw/zinc/58/29/01/1075582901.db2.gz	QCYYQWXWFUDNLX-MRXNPFEDSA-N	1	1	402.495	1.124	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N(C3CC3)C1)CC2	ZINC000429446001	1075582908	/nfs/dbraw/zinc/58/29/08/1075582908.db2.gz	QCYYQWXWFUDNLX-MRXNPFEDSA-N	1	1	402.495	1.124	20	0		HDADMO
Cc1ccc(OC[C@@H](C)NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000731981469	1075582955	/nfs/dbraw/zinc/58/29/55/1075582955.db2.gz	ANDMDIPKHWZNJX-UYAOXDASSA-N	1	1	403.523	1.592	20	0		HDADMO
Cc1ccccc1-c1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n(C)n1	ZINC000676550652	1075583529	/nfs/dbraw/zinc/58/35/29/1075583529.db2.gz	RYQBLPDVJPZDIM-GOSISDBHSA-N	1	1	424.549	1.572	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)/C=C\c3cncc(C(=O)NC)c3)cc2)CC1	ZINC000731982871	1075583691	/nfs/dbraw/zinc/58/36/91/1075583691.db2.gz	ZRRGXWOWDUZOAD-WTKPLQERSA-N	1	1	421.501	1.871	20	0		HDADMO
CN(C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000429267352	1075587438	/nfs/dbraw/zinc/58/74/38/1075587438.db2.gz	XRCUCULWULCJLJ-MRXNPFEDSA-N	1	1	422.489	2.115	20	0		HDADMO
CN(C(=O)C(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446846266	1075587528	/nfs/dbraw/zinc/58/75/28/1075587528.db2.gz	XHZPRCDQUFCXAB-HNNXBMFYSA-N	1	1	401.536	2.507	20	0		HDADMO
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)C2=O)cc1	ZINC000732035008	1075592212	/nfs/dbraw/zinc/59/22/12/1075592212.db2.gz	JDLYHCWUIVMXFP-HRAATJIYSA-N	1	1	400.479	1.157	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)CNC(=O)OCC(F)(F)F)[C@H](c2ccccc2)C1	ZINC000732056371	1075596063	/nfs/dbraw/zinc/59/60/63/1075596063.db2.gz	COPPPXWYLOCLPV-INIZCTEOSA-N	1	1	416.444	1.770	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)CNC(=O)OCC(F)(F)F)[C@H](c2ccccc2)C1	ZINC000732056371	1075596067	/nfs/dbraw/zinc/59/60/67/1075596067.db2.gz	COPPPXWYLOCLPV-INIZCTEOSA-N	1	1	416.444	1.770	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)CNC(=O)OCC(F)(F)F)[C@H](c2ccccc2)C1	ZINC000732056371	1075596072	/nfs/dbraw/zinc/59/60/72/1075596072.db2.gz	COPPPXWYLOCLPV-INIZCTEOSA-N	1	1	416.444	1.770	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1	ZINC000732058166	1075597206	/nfs/dbraw/zinc/59/72/06/1075597206.db2.gz	XMZQWPNCMPYCAR-CZQLGGELSA-N	1	1	421.545	1.949	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1	ZINC000732058166	1075597210	/nfs/dbraw/zinc/59/72/10/1075597210.db2.gz	XMZQWPNCMPYCAR-CZQLGGELSA-N	1	1	421.545	1.949	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1	ZINC000732058166	1075597215	/nfs/dbraw/zinc/59/72/15/1075597215.db2.gz	XMZQWPNCMPYCAR-CZQLGGELSA-N	1	1	421.545	1.949	20	0		HDADMO
C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)[C@H]2CCCOC2)CC1	ZINC000543679175	1075599780	/nfs/dbraw/zinc/59/97/80/1075599780.db2.gz	ARDGUBKZZUATGP-HKUYNNGSSA-N	1	1	407.536	1.091	20	0		HDADMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1	ZINC000448507137	1075600114	/nfs/dbraw/zinc/60/01/14/1075600114.db2.gz	DOLXUYQAESSZSR-DZGCQCFKSA-N	1	1	409.412	2.336	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)c1nc2ccccc2s1	ZINC000804173051	1075602216	/nfs/dbraw/zinc/60/22/16/1075602216.db2.gz	YDUHXDCIKWABBB-CQSZACIVSA-N	1	1	402.520	1.797	20	0		HDADMO
C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1	ZINC000551045817	1075603604	/nfs/dbraw/zinc/60/36/04/1075603604.db2.gz	YFYLPSAXYZKUJQ-CQSZACIVSA-N	1	1	415.460	1.867	20	0		HDADMO
CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1OC	ZINC000509423709	1075604422	/nfs/dbraw/zinc/60/44/22/1075604422.db2.gz	XBEFPNRGJDKEFS-GFCCVEGCSA-N	1	1	403.932	1.671	20	0		HDADMO
COC(=O)CN1CCN(c2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2)CC1	ZINC000732074055	1075606397	/nfs/dbraw/zinc/60/63/97/1075606397.db2.gz	QMLICPZARMCWJQ-UHFFFAOYSA-N	1	1	418.538	1.423	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1	ZINC000804176846	1075608512	/nfs/dbraw/zinc/60/85/12/1075608512.db2.gz	VKTUNOXZLOOWPK-INIZCTEOSA-N	1	1	406.483	1.142	20	0		HDADMO
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1	ZINC000509426650	1075611102	/nfs/dbraw/zinc/61/11/02/1075611102.db2.gz	UGLGWWRTILLCTA-MRXNPFEDSA-N	1	1	402.543	1.666	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C(=O)OC(C)(C)C	ZINC000804180433	1075611828	/nfs/dbraw/zinc/61/18/28/1075611828.db2.gz	KKKPUJJAGMPRCB-UHFFFAOYSA-N	1	1	424.567	1.418	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)[NH+]2CCCC2)o1	ZINC000804178263	1075612859	/nfs/dbraw/zinc/61/28/59/1075612859.db2.gz	GLJPHKBQDOUZIM-GOSISDBHSA-N	1	1	419.522	1.843	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)CN1CC[NH+](C)CC1	ZINC000676618334	1075617972	/nfs/dbraw/zinc/61/79/72/1075617972.db2.gz	SDLIPWDDLXGVMB-ZDUSSCGKSA-N	1	1	408.453	1.370	20	0		HDADMO
CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676627852	1075623998	/nfs/dbraw/zinc/62/39/98/1075623998.db2.gz	WTYAYNXJRBFEBL-XJUOHMSHSA-N	1	1	407.514	1.963	20	0		HDADMO
CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CN3CCN(C)CC3)c2C1	ZINC000429456663	1075624535	/nfs/dbraw/zinc/62/45/35/1075624535.db2.gz	RVQWSFNUVKPPDZ-ROUUACIJSA-N	1	1	415.582	1.737	20	0		HDADMO
CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CN3CCN(C)CC3)c2C1	ZINC000429456663	1075624536	/nfs/dbraw/zinc/62/45/36/1075624536.db2.gz	RVQWSFNUVKPPDZ-ROUUACIJSA-N	1	1	415.582	1.737	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)/C=C\c1ccc(I)o1	ZINC000732114093	1075628263	/nfs/dbraw/zinc/62/82/63/1075628263.db2.gz	FUOHKRQXRFNELF-ALCCZGGFSA-N	1	1	417.291	1.993	20	0		HDADMO
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1=O	ZINC000732127579	1075630700	/nfs/dbraw/zinc/63/07/00/1075630700.db2.gz	LLYVHBLWANALHQ-GCJKJVERSA-N	1	1	414.506	1.167	20	0		HDADMO
O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000732127214	1075630988	/nfs/dbraw/zinc/63/09/88/1075630988.db2.gz	DVLIZJNFOFDEJN-MRXNPFEDSA-N	1	1	407.898	1.779	20	0		HDADMO
COc1ccc(C(=O)NCCN2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)cc1	ZINC000676702852	1075655376	/nfs/dbraw/zinc/65/53/76/1075655376.db2.gz	XXXBIVUDTIJWJN-FQEVSTJZSA-N	1	1	411.502	1.883	20	0		HDADMO
O=C([C@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)C1)N1CCCC1	ZINC000732190597	1075655418	/nfs/dbraw/zinc/65/54/18/1075655418.db2.gz	KUVWBGSXCCBSEU-CVDCTZTESA-N	1	1	410.518	1.758	20	0		HDADMO
O=C([C@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)C1)N1CCCC1	ZINC000732190597	1075655421	/nfs/dbraw/zinc/65/54/21/1075655421.db2.gz	KUVWBGSXCCBSEU-CVDCTZTESA-N	1	1	410.518	1.758	20	0		HDADMO
NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1Br	ZINC000676708299	1075656583	/nfs/dbraw/zinc/65/65/83/1075656583.db2.gz	ZJODLQNEENQTHF-LBPRGKRZSA-N	1	1	402.314	1.311	20	0		HDADMO
CCCCN(C(=O)C[N@@H+]1CCCOC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000676710767	1075657372	/nfs/dbraw/zinc/65/73/72/1075657372.db2.gz	JKAJZHKNIKJXRB-HNNXBMFYSA-N	1	1	409.531	1.431	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CCCOC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000676710767	1075657376	/nfs/dbraw/zinc/65/73/76/1075657376.db2.gz	JKAJZHKNIKJXRB-HNNXBMFYSA-N	1	1	409.531	1.431	20	0		HDADMO
CCCCCN(C(=O)C[N@@H+]1CCCOC[C@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000676711942	1075657812	/nfs/dbraw/zinc/65/78/12/1075657812.db2.gz	GFFDMGQDCRENDI-MRXNPFEDSA-N	1	1	423.558	1.965	20	0		HDADMO
CCCCCN(C(=O)C[N@H+]1CCCOC[C@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000676711942	1075657814	/nfs/dbraw/zinc/65/78/14/1075657814.db2.gz	GFFDMGQDCRENDI-MRXNPFEDSA-N	1	1	423.558	1.965	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCCOC[C@@H]3C)CC2)cc1C	ZINC000676715380	1075658217	/nfs/dbraw/zinc/65/82/17/1075658217.db2.gz	VRTMEUHECWVSGT-SFHVURJKSA-N	1	1	409.552	1.247	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+]2CCC[C@H](C(=O)NC)C2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000732207587	1075665115	/nfs/dbraw/zinc/66/51/15/1075665115.db2.gz	XEVLRZKXTVVLHQ-MAUKXSAKSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1C(C[N@H+]2CCC[C@H](C(=O)NC)C2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000732207587	1075665119	/nfs/dbraw/zinc/66/51/19/1075665119.db2.gz	XEVLRZKXTVVLHQ-MAUKXSAKSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)NC)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000732207587	1075665123	/nfs/dbraw/zinc/66/51/23/1075665123.db2.gz	XEVLRZKXTVVLHQ-MAUKXSAKSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)NC)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000732207587	1075665128	/nfs/dbraw/zinc/66/51/28/1075665128.db2.gz	XEVLRZKXTVVLHQ-MAUKXSAKSA-N	1	1	400.479	1.316	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000732210705	1075667187	/nfs/dbraw/zinc/66/71/87/1075667187.db2.gz	DZCMXMOJWIIRDU-LJQANCHMSA-N	1	1	404.511	1.668	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000732211206	1075668394	/nfs/dbraw/zinc/66/83/94/1075668394.db2.gz	ORBOXKOFOXBRSP-HNNXBMFYSA-N	1	1	402.451	1.540	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000732211206	1075668395	/nfs/dbraw/zinc/66/83/95/1075668395.db2.gz	ORBOXKOFOXBRSP-HNNXBMFYSA-N	1	1	402.451	1.540	20	0		HDADMO
C[C@@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1ccc2n[nH]cc2c1	ZINC000553992168	1075676529	/nfs/dbraw/zinc/67/65/29/1075676529.db2.gz	IHCTYKWNCFWZFA-WBMJQRKESA-N	1	1	410.482	1.618	20	0		HDADMO
COc1cccc([C@@H](O)CNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1	ZINC000732240647	1075677223	/nfs/dbraw/zinc/67/72/23/1075677223.db2.gz	HUALXRWINPAJAM-QFIPXVFZSA-N	1	1	412.534	1.975	20	0		HDADMO
C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000429464251	1075678603	/nfs/dbraw/zinc/67/86/03/1075678603.db2.gz	DPTVLQHXOXBPEP-MOPGFXCFSA-N	1	1	415.582	1.609	20	0		HDADMO
C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000429464251	1075678605	/nfs/dbraw/zinc/67/86/05/1075678605.db2.gz	DPTVLQHXOXBPEP-MOPGFXCFSA-N	1	1	415.582	1.609	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1	ZINC000732245615	1075679000	/nfs/dbraw/zinc/67/90/00/1075679000.db2.gz	BRZPOHUCYBHNLN-MLGOLLRUSA-N	1	1	417.337	1.913	20	0		HDADMO
O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000732246355	1075679405	/nfs/dbraw/zinc/67/94/05/1075679405.db2.gz	RDTOAUQJBJWXQA-HZPDHXFCSA-N	1	1	400.479	1.225	20	0		HDADMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000732247288	1075680300	/nfs/dbraw/zinc/68/03/00/1075680300.db2.gz	DDGGEMWWYIZQDZ-QGZVFWFLSA-N	1	1	416.632	1.695	20	0		HDADMO
COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000732226239	1075683351	/nfs/dbraw/zinc/68/33/51/1075683351.db2.gz	FDBYKKWADZERHD-KQQSKNTNSA-N	1	1	424.519	1.747	20	0		HDADMO
COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000732226239	1075683353	/nfs/dbraw/zinc/68/33/53/1075683353.db2.gz	FDBYKKWADZERHD-KQQSKNTNSA-N	1	1	424.519	1.747	20	0		HDADMO
COc1cccc(-c2noc(SCC(=O)N3CCN(c4[nH+]ccn4C)CC3)n2)c1	ZINC000543583197	1075683719	/nfs/dbraw/zinc/68/37/19/1075683719.db2.gz	XBKOKTDPFATNNE-UHFFFAOYSA-N	1	1	414.491	1.920	20	0		HDADMO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000732229682	1075684328	/nfs/dbraw/zinc/68/43/28/1075684328.db2.gz	YEVVOGUJUZJBLQ-HZPDHXFCSA-N	1	1	418.991	1.531	20	0		HDADMO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCC[N@H+]1CCC[C@@H]1CO	ZINC000732229682	1075684334	/nfs/dbraw/zinc/68/43/34/1075684334.db2.gz	YEVVOGUJUZJBLQ-HZPDHXFCSA-N	1	1	418.991	1.531	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(CN2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)n1	ZINC000540420516	1075684692	/nfs/dbraw/zinc/68/46/92/1075684692.db2.gz	YXEUERNTIVCKQM-HNNXBMFYSA-N	1	1	413.526	1.251	20	0		HDADMO
CCc1nc(N)nc(S[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)n1	ZINC000502098925	1075689631	/nfs/dbraw/zinc/68/96/31/1075689631.db2.gz	QHVSYGFISZZEHN-AWEZNQCLSA-N	1	1	416.551	1.645	20	0		HDADMO
CNC(=O)c1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)cc1	ZINC001084992790	1075697852	/nfs/dbraw/zinc/69/78/52/1075697852.db2.gz	TWQPIXXFUBRUSQ-UBHOZABWSA-N	1	1	409.530	1.892	20	0		HDADMO
CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1	ZINC000464731058	1075699186	/nfs/dbraw/zinc/69/91/86/1075699186.db2.gz	CWYNIEWIPVFOJM-STQMWFEESA-N	1	1	417.480	2.094	20	0		HDADMO
CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1	ZINC000464731058	1075699188	/nfs/dbraw/zinc/69/91/88/1075699188.db2.gz	CWYNIEWIPVFOJM-STQMWFEESA-N	1	1	417.480	2.094	20	0		HDADMO
CC[C@H](CSC)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509437683	1075699991	/nfs/dbraw/zinc/69/99/91/1075699991.db2.gz	KTXBOGWIBDFSCH-ZWKOTPCHSA-N	1	1	406.596	1.913	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509437664	1075700051	/nfs/dbraw/zinc/70/00/51/1075700051.db2.gz	KRAISBNYWKJXMD-QUCCMNQESA-N	1	1	402.539	1.197	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000550838189	1075700492	/nfs/dbraw/zinc/70/04/92/1075700492.db2.gz	CRJPOWHLGILBCK-IUODEOHRSA-N	1	1	413.444	1.618	20	0		HDADMO
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CCCO1	ZINC000433645290	1075701407	/nfs/dbraw/zinc/70/14/07/1075701407.db2.gz	BEIPMMSNFYNJSR-OAHLLOKOSA-N	1	1	419.913	2.081	20	0		HDADMO
COc1cc2[nH+]c(NCC(=O)N[C@@H]3CCOc4ccccc43)nc(N)c2cc1OC	ZINC000409556652	1075701843	/nfs/dbraw/zinc/70/18/43/1075701843.db2.gz	OGUVNCJAULHCBO-CQSZACIVSA-N	1	1	409.446	1.703	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1	ZINC000545907561	1075704717	/nfs/dbraw/zinc/70/47/17/1075704717.db2.gz	DSIRUBNVHQKFPY-WIYYLYMNSA-N	1	1	417.513	2.507	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@H]1C(C)(C)O	ZINC000509437297	1075705700	/nfs/dbraw/zinc/70/57/00/1075705700.db2.gz	JQRXSGGHBYEKNT-MJGOQNOKSA-N	1	1	402.539	1.075	20	0		HDADMO
C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCN1c1ccccc1	ZINC000476670043	1075706993	/nfs/dbraw/zinc/70/69/93/1075706993.db2.gz	AFIRJNPXBVBPAP-AYOQOUSVSA-N	1	1	410.522	1.712	20	0		HDADMO
C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCN1c1ccccc1	ZINC000476670043	1075706998	/nfs/dbraw/zinc/70/69/98/1075706998.db2.gz	AFIRJNPXBVBPAP-AYOQOUSVSA-N	1	1	410.522	1.712	20	0		HDADMO
COc1cc2[nH+]c(N3CC[C@@H](S(=O)(=O)N4CCCC4)C3)nc(N)c2cc1OC	ZINC000486915172	1075707023	/nfs/dbraw/zinc/70/70/23/1075707023.db2.gz	XOXPYKZXBQRHJV-GFCCVEGCSA-N	1	1	407.496	1.234	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1	ZINC000509256876	1075721387	/nfs/dbraw/zinc/72/13/87/1075721387.db2.gz	LOCDVFMIKXJDPZ-HNNXBMFYSA-N	1	1	400.570	1.496	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC(F)(F)F	ZINC000509440969	1075724486	/nfs/dbraw/zinc/72/44/86/1075724486.db2.gz	HZXVNFYNCVZQBE-HNNXBMFYSA-N	1	1	400.445	1.724	20	0		HDADMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1	ZINC000509254537	1075724921	/nfs/dbraw/zinc/72/49/21/1075724921.db2.gz	BKAPJVZNAYHNCC-JKSUJKDBSA-N	1	1	414.597	1.742	20	0		HDADMO
C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509442275	1075726758	/nfs/dbraw/zinc/72/67/58/1075726758.db2.gz	NUONMCULHPJKCW-ZJOUEHCJSA-N	1	1	416.566	1.465	20	0		HDADMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509257790	1075734576	/nfs/dbraw/zinc/73/45/76/1075734576.db2.gz	VOXRWGJKWHHWSP-JKSUJKDBSA-N	1	1	414.597	1.740	20	0		HDADMO
O=C1CCCN1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000732413215	1075738653	/nfs/dbraw/zinc/73/86/53/1075738653.db2.gz	QVHKMYNAHVUMAW-ZWKOTPCHSA-N	1	1	400.479	1.341	20	0		HDADMO
NC(=O)CCN(C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)c1ccc(F)cc1	ZINC000732413165	1075738663	/nfs/dbraw/zinc/73/86/63/1075738663.db2.gz	PNEKEUOBPUTLMI-SFHVURJKSA-N	1	1	404.486	1.511	20	0		HDADMO
NC(=O)CCN(C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O)c1ccc(F)cc1	ZINC000732413165	1075738665	/nfs/dbraw/zinc/73/86/65/1075738665.db2.gz	PNEKEUOBPUTLMI-SFHVURJKSA-N	1	1	404.486	1.511	20	0		HDADMO
Cc1nc2c(s1)CCC[C@@H]2C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000427485989	1075745710	/nfs/dbraw/zinc/74/57/10/1075745710.db2.gz	DVXJXAAWNCTLPK-KBPBESRZSA-N	1	1	402.524	1.682	20	0		HDADMO
Cc1nc2c(s1)CCC[C@@H]2C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000427485989	1075745714	/nfs/dbraw/zinc/74/57/14/1075745714.db2.gz	DVXJXAAWNCTLPK-KBPBESRZSA-N	1	1	402.524	1.682	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000490540550	1075752578	/nfs/dbraw/zinc/75/25/78/1075752578.db2.gz	HVIHWXUIODLTLR-GOSISDBHSA-N	1	1	407.522	1.547	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1S(=O)(=O)N(C)C	ZINC000429268959	1075753982	/nfs/dbraw/zinc/75/39/82/1075753982.db2.gz	FFFJHUWEQZJHCD-QGZVFWFLSA-N	1	1	409.552	1.932	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1S(=O)(=O)N(C)C	ZINC000429268959	1075753984	/nfs/dbraw/zinc/75/39/84/1075753984.db2.gz	FFFJHUWEQZJHCD-QGZVFWFLSA-N	1	1	409.552	1.932	20	0		HDADMO
CN(C)c1nc(N2CCN(C(=O)c3cccc(CNc4ccncn4)c3)CC2)cc[nH+]1	ZINC000542658760	1075754066	/nfs/dbraw/zinc/75/40/66/1075754066.db2.gz	YWHJUFMTJFRTIJ-UHFFFAOYSA-N	1	1	418.505	1.907	20	0		HDADMO
CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)n2C	ZINC000476951025	1075755022	/nfs/dbraw/zinc/75/50/22/1075755022.db2.gz	JITCYPDMBCTCCM-QGZVFWFLSA-N	1	1	418.461	1.867	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000732474982	1075756668	/nfs/dbraw/zinc/75/66/68/1075756668.db2.gz	NYFWCGVWSVCPBG-ZBFHGGJFSA-N	1	1	408.852	1.635	20	0		HDADMO
C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1	ZINC000470606547	1075764329	/nfs/dbraw/zinc/76/43/29/1075764329.db2.gz	NWDTZTZKLPYKMB-KRWDZBQOSA-N	1	1	404.511	1.608	20	0		HDADMO
Nc1nsc(N2CC[NH+](CCC(=O)Nc3ccc(Br)cc3)CC2)n1	ZINC000468947738	1075771654	/nfs/dbraw/zinc/77/16/54/1075771654.db2.gz	KQJHLLVRXCFZDR-UHFFFAOYSA-N	1	1	411.329	2.034	20	0		HDADMO
C[NH+]1CCC(CNC(=O)Nc2nc3cc(Cl)ccn3n2)(N2CCCCC2)CC1	ZINC000562093058	1075776894	/nfs/dbraw/zinc/77/68/94/1075776894.db2.gz	UWCVLNGVVBYANS-UHFFFAOYSA-N	1	1	405.934	2.455	20	0		HDADMO
CC(C)(C)c1nnc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)s1	ZINC000517160437	1075777236	/nfs/dbraw/zinc/77/72/36/1075777236.db2.gz	MCRXZSCAWLYDAX-UHFFFAOYSA-N	1	1	417.535	1.923	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1	ZINC000429274959	1075782618	/nfs/dbraw/zinc/78/26/18/1075782618.db2.gz	JQECOLYTPAIWPC-MRXNPFEDSA-N	1	1	412.556	1.638	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1	ZINC000429274959	1075782623	/nfs/dbraw/zinc/78/26/23/1075782623.db2.gz	JQECOLYTPAIWPC-MRXNPFEDSA-N	1	1	412.556	1.638	20	0		HDADMO
CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558568	1075786132	/nfs/dbraw/zinc/78/61/32/1075786132.db2.gz	BRQMOSSTDGVUPO-NSDNCLLMSA-N	1	1	420.579	1.698	20	0		HDADMO
CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558568	1075786135	/nfs/dbraw/zinc/78/61/35/1075786135.db2.gz	BRQMOSSTDGVUPO-NSDNCLLMSA-N	1	1	420.579	1.698	20	0		HDADMO
Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000672058014	1075788816	/nfs/dbraw/zinc/78/88/16/1075788816.db2.gz	YJOGMHGAQVVLGJ-SFHVURJKSA-N	1	1	411.550	1.373	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565386	1075789916	/nfs/dbraw/zinc/78/99/16/1075789916.db2.gz	XYFHFYRHOVGCFO-OLRZZNLISA-N	1	1	408.612	1.871	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565386	1075789920	/nfs/dbraw/zinc/78/99/20/1075789920.db2.gz	XYFHFYRHOVGCFO-OLRZZNLISA-N	1	1	408.612	1.871	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@@H](c2ccccc2)C1	ZINC000497878285	1075791717	/nfs/dbraw/zinc/79/17/17/1075791717.db2.gz	DZGRYWJMIKBPGJ-HXUWFJFHSA-N	1	1	424.549	1.653	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@@H](c2ccccc2)C1	ZINC000497878285	1075791725	/nfs/dbraw/zinc/79/17/25/1075791725.db2.gz	DZGRYWJMIKBPGJ-HXUWFJFHSA-N	1	1	424.549	1.653	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@@H](c2ccccc2)C1	ZINC000497878285	1075791731	/nfs/dbraw/zinc/79/17/31/1075791731.db2.gz	DZGRYWJMIKBPGJ-HXUWFJFHSA-N	1	1	424.549	1.653	20	0		HDADMO
CCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000804237857	1075793825	/nfs/dbraw/zinc/79/38/25/1075793825.db2.gz	XMPKMEOACQNIOQ-KSZLIROESA-N	1	1	408.543	1.446	20	0		HDADMO
O=C(C[NH+]1CCC2(CC1)OCCc1ccsc12)N1CCN(c2cnccn2)CC1	ZINC000488248329	1075807354	/nfs/dbraw/zinc/80/73/54/1075807354.db2.gz	COHYKKGHTUWVQI-UHFFFAOYSA-N	1	1	413.547	1.751	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1	ZINC000611037088	1075817777	/nfs/dbraw/zinc/81/77/77/1075817777.db2.gz	BDWQDWBDHQVZFT-CQSZACIVSA-N	1	1	404.446	1.795	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1	ZINC000611037088	1075817783	/nfs/dbraw/zinc/81/77/83/1075817783.db2.gz	BDWQDWBDHQVZFT-CQSZACIVSA-N	1	1	404.446	1.795	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	ZINC000732659532	1075819182	/nfs/dbraw/zinc/81/91/82/1075819182.db2.gz	SCLCVLRQLIIMAI-QZTJIDSGSA-N	1	1	408.449	1.517	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)CC2)cc1OC	ZINC000429286820	1075820011	/nfs/dbraw/zinc/82/00/11/1075820011.db2.gz	RLZZEOSVLMFEKE-OPVJXMOQSA-N	1	1	419.566	1.890	20	0		HDADMO
CC[N@@H+](CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1	ZINC000732675911	1075830079	/nfs/dbraw/zinc/83/00/79/1075830079.db2.gz	NNBAOBYDNAVFPL-UHFFFAOYSA-N	1	1	400.467	1.332	20	0		HDADMO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)N2CC[N@H+](CC)[C@@H](C)C2)n1	ZINC000611100547	1075833623	/nfs/dbraw/zinc/83/36/23/1075833623.db2.gz	JLWBQIJPKLHIIE-HNNXBMFYSA-N	1	1	413.478	1.540	20	0		HDADMO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)n1	ZINC000611100547	1075833631	/nfs/dbraw/zinc/83/36/31/1075833631.db2.gz	JLWBQIJPKLHIIE-HNNXBMFYSA-N	1	1	413.478	1.540	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)C[C@H]1C	ZINC000611100483	1075833878	/nfs/dbraw/zinc/83/38/78/1075833878.db2.gz	GQCCZEJGOQSJMP-OAHLLOKOSA-N	1	1	413.474	1.883	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)C[C@H]1C	ZINC000611100483	1075833883	/nfs/dbraw/zinc/83/38/83/1075833883.db2.gz	GQCCZEJGOQSJMP-OAHLLOKOSA-N	1	1	413.474	1.883	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(COc3ccccc3F)on2)CC1	ZINC000466653283	1075834383	/nfs/dbraw/zinc/83/43/83/1075834383.db2.gz	AMJQDDHWEGECNZ-UHFFFAOYSA-N	1	1	404.442	1.675	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1	ZINC000732733425	1075844764	/nfs/dbraw/zinc/84/47/64/1075844764.db2.gz	KDRQCNOQKFOGLG-UHFFFAOYSA-N	1	1	411.528	1.108	20	0		HDADMO
Cc1c(C(=O)NCC[S@@](=O)C(C)(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000732768410	1075849490	/nfs/dbraw/zinc/84/94/90/1075849490.db2.gz	OEBODSKXLIFPGW-MUUNZHRXSA-N	1	1	403.552	1.841	20	0		HDADMO
C[NH+]1CCN(CC2(C)CCN(C(=O)C(=O)c3cnn(-c4ccccc4)c3)CC2)CC1	ZINC000543606590	1075850319	/nfs/dbraw/zinc/85/03/19/1075850319.db2.gz	IKYJNMBJCLTXGY-UHFFFAOYSA-N	1	1	409.534	1.931	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nn1	ZINC000560171175	1075859198	/nfs/dbraw/zinc/85/91/98/1075859198.db2.gz	HKXPNPAUBZXHLG-CYBMUJFWSA-N	1	1	403.508	1.827	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)nn1	ZINC000560171175	1075859203	/nfs/dbraw/zinc/85/92/03/1075859203.db2.gz	HKXPNPAUBZXHLG-CYBMUJFWSA-N	1	1	403.508	1.827	20	0		HDADMO
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732807754	1075862446	/nfs/dbraw/zinc/86/24/46/1075862446.db2.gz	VKRBASDKCXSFCG-FGTMMUONSA-N	1	1	401.507	1.808	20	0		HDADMO
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732807754	1075862449	/nfs/dbraw/zinc/86/24/49/1075862449.db2.gz	VKRBASDKCXSFCG-FGTMMUONSA-N	1	1	401.507	1.808	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732780672	1075865319	/nfs/dbraw/zinc/86/53/19/1075865319.db2.gz	LTXWYZOETVSJFB-ACRNLXFHSA-N	1	1	413.501	1.403	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732780672	1075865321	/nfs/dbraw/zinc/86/53/21/1075865321.db2.gz	LTXWYZOETVSJFB-ACRNLXFHSA-N	1	1	413.501	1.403	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732780674	1075865538	/nfs/dbraw/zinc/86/55/38/1075865538.db2.gz	LTXWYZOETVSJFB-JZQBQCRLSA-N	1	1	413.501	1.403	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732780674	1075865544	/nfs/dbraw/zinc/86/55/44/1075865544.db2.gz	LTXWYZOETVSJFB-JZQBQCRLSA-N	1	1	413.501	1.403	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2)CC1	ZINC000732780708	1075865800	/nfs/dbraw/zinc/86/58/00/1075865800.db2.gz	MGWSQCQNFHZEGJ-QGZVFWFLSA-N	1	1	400.523	1.477	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2)CC1	ZINC000732780708	1075865802	/nfs/dbraw/zinc/86/58/02/1075865802.db2.gz	MGWSQCQNFHZEGJ-QGZVFWFLSA-N	1	1	400.523	1.477	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)CC1	ZINC000611181122	1075867912	/nfs/dbraw/zinc/86/79/12/1075867912.db2.gz	LCCXKBUFZHFJOJ-AZUAARDMSA-N	1	1	407.603	1.881	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1	ZINC000611181061	1075868600	/nfs/dbraw/zinc/86/86/00/1075868600.db2.gz	WRZOTPGYQCIBCJ-LJQANCHMSA-N	1	1	422.614	1.667	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732809104	1075870725	/nfs/dbraw/zinc/87/07/25/1075870725.db2.gz	REQSCCMEOFKFOK-MOPGFXCFSA-N	1	1	414.550	1.906	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732809104	1075870726	/nfs/dbraw/zinc/87/07/26/1075870726.db2.gz	REQSCCMEOFKFOK-MOPGFXCFSA-N	1	1	414.550	1.906	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1	ZINC000732808892	1075871037	/nfs/dbraw/zinc/87/10/37/1075871037.db2.gz	OQLOGBGMRCLHHX-LJQANCHMSA-N	1	1	406.571	1.569	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1	ZINC000732808892	1075871040	/nfs/dbraw/zinc/87/10/40/1075871040.db2.gz	OQLOGBGMRCLHHX-LJQANCHMSA-N	1	1	406.571	1.569	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732809788	1075871932	/nfs/dbraw/zinc/87/19/32/1075871932.db2.gz	OOBSAGCGRAYHFY-ZWKOTPCHSA-N	1	1	416.522	1.429	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732809788	1075871937	/nfs/dbraw/zinc/87/19/37/1075871937.db2.gz	OOBSAGCGRAYHFY-ZWKOTPCHSA-N	1	1	416.522	1.429	20	0		HDADMO
O=C(CC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000732813096	1075874564	/nfs/dbraw/zinc/87/45/64/1075874564.db2.gz	UUMVONVIKLQHCD-MRXNPFEDSA-N	1	1	419.526	1.139	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000611268028	1075889379	/nfs/dbraw/zinc/88/93/79/1075889379.db2.gz	OPZNPBFHVZDZIH-UHFFFAOYSA-N	1	1	411.524	1.292	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000611268028	1075889383	/nfs/dbraw/zinc/88/93/83/1075889383.db2.gz	OPZNPBFHVZDZIH-UHFFFAOYSA-N	1	1	411.524	1.292	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cn1	ZINC000732890183	1075894048	/nfs/dbraw/zinc/89/40/48/1075894048.db2.gz	XSFPMZJQJAKLAV-AWEZNQCLSA-N	1	1	410.400	1.880	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611323701	1075901091	/nfs/dbraw/zinc/90/10/91/1075901091.db2.gz	UCVXQZZOWBCMJE-ZIAGYGMSSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611323701	1075901092	/nfs/dbraw/zinc/90/10/92/1075901092.db2.gz	UCVXQZZOWBCMJE-ZIAGYGMSSA-N	1	1	411.524	1.572	20	0		HDADMO
CCOC(=O)c1sc2nc(CN3CC[NH+]([C@H]4CCOC4)CC3)nc(N)c2c1C	ZINC000611348864	1075913005	/nfs/dbraw/zinc/91/30/05/1075913005.db2.gz	NNJHZJUYIZPQPF-ZDUSSCGKSA-N	1	1	405.524	1.665	20	0		HDADMO
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000611348585	1075913458	/nfs/dbraw/zinc/91/34/58/1075913458.db2.gz	BFIHDNXTLNAWSC-OAHLLOKOSA-N	1	1	423.535	1.781	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)[C@@H](C)C1	ZINC000611395335	1075924579	/nfs/dbraw/zinc/92/45/79/1075924579.db2.gz	ZQMBHPRQKZTNCO-WMZOPIPTSA-N	1	1	404.511	1.485	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)[C@@H](C)C1	ZINC000611395335	1075924587	/nfs/dbraw/zinc/92/45/87/1075924587.db2.gz	ZQMBHPRQKZTNCO-WMZOPIPTSA-N	1	1	404.511	1.485	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1=O	ZINC000733001320	1075933421	/nfs/dbraw/zinc/93/34/21/1075933421.db2.gz	OTKRDQPBFVWZML-AEFFLSMTSA-N	1	1	408.543	1.445	20	0		HDADMO
CC[C@H](CNC(=O)N(CCO)CCN1CCOCC1)[N@H+]1CCc2ccccc2C1	ZINC000489841310	1075934427	/nfs/dbraw/zinc/93/44/27/1075934427.db2.gz	MKPOLBGRXIQOIC-OAQYLSRUSA-N	1	1	404.555	1.159	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1	ZINC000611455807	1075938688	/nfs/dbraw/zinc/93/86/88/1075938688.db2.gz	DDDYKCYUJXPTLO-UHFFFAOYSA-N	1	1	410.540	1.316	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1	ZINC000732993150	1075942662	/nfs/dbraw/zinc/94/26/62/1075942662.db2.gz	BUDUBNNXPWTJTK-GASCZTMLSA-N	1	1	424.558	1.918	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)C2CCS(=O)(=O)CC2)CC1	ZINC000733023301	1075944334	/nfs/dbraw/zinc/94/43/34/1075944334.db2.gz	XAXSRPYHBZEDPQ-UHFFFAOYSA-N	1	1	408.520	1.007	20	0		HDADMO
C[C@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000733028385	1075945975	/nfs/dbraw/zinc/94/59/75/1075945975.db2.gz	UDBNCJNTYXBQDB-MAUKXSAKSA-N	1	1	408.520	1.134	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1	ZINC000733030299	1075946670	/nfs/dbraw/zinc/94/66/70/1075946670.db2.gz	SGRPCKCYWQYHQE-INIZCTEOSA-N	1	1	410.559	1.598	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)C[C@@H]1C	ZINC000611484587	1075946750	/nfs/dbraw/zinc/94/67/50/1075946750.db2.gz	GWHJDBRXHWHXGZ-PXNSSMCTSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)C[C@@H]1C	ZINC000611484587	1075946753	/nfs/dbraw/zinc/94/67/53/1075946753.db2.gz	GWHJDBRXHWHXGZ-PXNSSMCTSA-N	1	1	403.523	1.845	20	0		HDADMO
CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000611511038	1075948337	/nfs/dbraw/zinc/94/83/37/1075948337.db2.gz	YFLMJMSZCXPDSR-KRWDZBQOSA-N	1	1	413.515	1.403	20	0		HDADMO
CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1	ZINC000611522575	1075951473	/nfs/dbraw/zinc/95/14/73/1075951473.db2.gz	KAIMFNYYKQYWIH-UHFFFAOYSA-N	1	1	410.540	1.186	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733046331	1075952795	/nfs/dbraw/zinc/95/27/95/1075952795.db2.gz	OZIPSQGBNRDBHN-CVEARBPZSA-N	1	1	414.506	1.966	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733046332	1075952829	/nfs/dbraw/zinc/95/28/29/1075952829.db2.gz	OZIPSQGBNRDBHN-HOTGVXAUSA-N	1	1	414.506	1.966	20	0		HDADMO
CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611515658	1075953215	/nfs/dbraw/zinc/95/32/15/1075953215.db2.gz	JNWWDKSAZJFFSS-GOSISDBHSA-N	1	1	423.579	1.218	20	0		HDADMO
Cc1cc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1N1C(=O)CCC1=O	ZINC000733036202	1075960850	/nfs/dbraw/zinc/96/08/50/1075960850.db2.gz	OUVKCBRRFBZXEZ-OAHLLOKOSA-N	1	1	415.494	1.357	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733045855	1075964382	/nfs/dbraw/zinc/96/43/82/1075964382.db2.gz	CANYZHINAOBUOA-AWEZNQCLSA-N	1	1	400.479	1.435	20	0		HDADMO
Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)o1	ZINC001079252934	1075967546	/nfs/dbraw/zinc/96/75/46/1075967546.db2.gz	SYFWICFNDBMVBY-BHQCHZOVSA-N	1	1	413.518	1.846	20	0		HDADMO
Cn1ccnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1	ZINC001079252749	1075967626	/nfs/dbraw/zinc/96/76/26/1075967626.db2.gz	RJKUTBSAWUACAW-BHQCHZOVSA-N	1	1	412.534	1.283	20	0		HDADMO
Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2ccccc2F)n1	ZINC001079303980	1075968739	/nfs/dbraw/zinc/96/87/39/1075968739.db2.gz	KEURVDYOSKJHIQ-VJWNIMFCSA-N	1	1	411.481	1.462	20	0		HDADMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1cccc(F)c1	ZINC000105154835	1075969553	/nfs/dbraw/zinc/96/95/53/1075969553.db2.gz	YEIMMMFLQKIYIQ-INIZCTEOSA-N	1	1	401.485	1.054	20	0		HDADMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1cccc(F)c1	ZINC000105154841	1075969585	/nfs/dbraw/zinc/96/95/85/1075969585.db2.gz	YEIMMMFLQKIYIQ-MRXNPFEDSA-N	1	1	401.485	1.054	20	0		HDADMO
C[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@@H](C)N1C(=O)OC(C)(C)C	ZINC000733087888	1075971225	/nfs/dbraw/zinc/97/12/25/1075971225.db2.gz	VPJCLZQTHMVVKS-HZPDHXFCSA-N	1	1	400.589	1.913	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(N)=O)CC1=O	ZINC000733141411	1075974173	/nfs/dbraw/zinc/97/41/73/1075974173.db2.gz	KCPWKFFQYAWVRU-KGLIPLIRSA-N	1	1	418.494	1.074	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N(CCO)CCN2CCOCC2)CC[N@H+]1Cc1ccccc1	ZINC000491425122	1075975433	/nfs/dbraw/zinc/97/54/33/1075975433.db2.gz	WBGNHFBYFKAZOK-TZIWHRDSSA-N	1	1	404.555	1.376	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nn2cnc3sc(C)c(C)c3c2=O)CC1=O	ZINC000733129342	1075979558	/nfs/dbraw/zinc/97/95/58/1075979558.db2.gz	WDRQGTIJOWUJFN-GJZGRUSLSA-N	1	1	417.535	1.478	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001080181835	1075985534	/nfs/dbraw/zinc/98/55/34/1075985534.db2.gz	OABKEQFHZWVYPB-YEHDIQIFSA-N	1	1	400.519	1.747	20	0		HDADMO
Cc1nc(CCC(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)cs1	ZINC000733151692	1075987084	/nfs/dbraw/zinc/98/70/84/1075987084.db2.gz	KYRXEAJKPQSQLT-UHFFFAOYSA-N	1	1	407.584	1.081	20	0		HDADMO
CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[NH+]1CCN(C)CC1	ZINC000733157076	1075990673	/nfs/dbraw/zinc/99/06/73/1075990673.db2.gz	STNVMACHGCRUMA-MRXNPFEDSA-N	1	1	412.556	1.066	20	0		HDADMO
C[NH+](C)CCOC1CCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC1	ZINC000733157042	1075990771	/nfs/dbraw/zinc/99/07/71/1075990771.db2.gz	RFYXHSKRYNPISY-UHFFFAOYSA-N	1	1	404.536	1.645	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCN2CCN(Cc3ccccc3)CC2)C[C@H](C)O1	ZINC000511822853	1075998975	/nfs/dbraw/zinc/99/89/75/1075998975.db2.gz	IVGLAGIZBNJMKJ-FUPPJEDESA-N	1	1	404.599	1.206	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCN2CCN(Cc3ccccc3)CC2)C[C@H](C)O1	ZINC000511822853	1075998976	/nfs/dbraw/zinc/99/89/76/1075998976.db2.gz	IVGLAGIZBNJMKJ-FUPPJEDESA-N	1	1	404.599	1.206	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1	ZINC000733169556	1076000129	/nfs/dbraw/zinc/00/01/29/1076000129.db2.gz	BPEXALYKIDVMPL-MRXNPFEDSA-N	1	1	401.507	1.870	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3C)C2)no1	ZINC000512255688	1076000981	/nfs/dbraw/zinc/00/09/81/1076000981.db2.gz	CIEBKSYFIUCZHK-MRXNPFEDSA-N	1	1	403.487	1.360	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1	ZINC000733170670	1076001084	/nfs/dbraw/zinc/00/10/84/1076001084.db2.gz	PLNVOHYEINAOAK-DKRLNXSXSA-N	1	1	414.554	1.709	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1	ZINC000733196356	1076002969	/nfs/dbraw/zinc/00/29/69/1076002969.db2.gz	CCORUBFRTCHQBJ-KFXAOSDLSA-N	1	1	418.519	1.593	20	0		HDADMO
CC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H](C)Cc1ccsc1	ZINC000495201855	1076005914	/nfs/dbraw/zinc/00/59/14/1076005914.db2.gz	MJHRVNAOOGOVSF-SFHVURJKSA-N	1	1	422.595	1.004	20	0		HDADMO
Cc1noc(C)c1S(=O)(=O)N1CCCN(c2nc(N3CCCC3)cc[nH+]2)CC1	ZINC000733186128	1076012739	/nfs/dbraw/zinc/01/27/39/1076012739.db2.gz	RTYBYMYHSIHHHF-UHFFFAOYSA-N	1	1	406.512	1.583	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCC[N@@H+](C)C3CCCC3)C2)no1	ZINC000513997532	1076014619	/nfs/dbraw/zinc/01/46/19/1076014619.db2.gz	STFJPBWMXJINOG-QGZVFWFLSA-N	1	1	406.531	1.639	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)COc3cccc(C=O)c3)CC2)CC1	ZINC000733261409	1076019774	/nfs/dbraw/zinc/01/97/74/1076019774.db2.gz	CPNNDVAVHLDLIQ-UHFFFAOYSA-N	1	1	401.507	1.671	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)COc3ccc(C=O)cc3)CC2)CC1	ZINC000733262566	1076019867	/nfs/dbraw/zinc/01/98/67/1076019867.db2.gz	KRQNBHNNGAHIFW-UHFFFAOYSA-N	1	1	401.507	1.671	20	0		HDADMO
COc1ccc(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](OC)C1	ZINC001081975329	1076022001	/nfs/dbraw/zinc/02/20/01/1076022001.db2.gz	ZVHXZNAPYYEQCC-FSAOVCISSA-N	1	1	404.507	1.371	20	0		HDADMO
COc1ccc(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](OC)C1	ZINC001081975329	1076022004	/nfs/dbraw/zinc/02/20/04/1076022004.db2.gz	ZVHXZNAPYYEQCC-FSAOVCISSA-N	1	1	404.507	1.371	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)COc2cccc(C=O)c2)CC1	ZINC000733254368	1076024374	/nfs/dbraw/zinc/02/43/74/1076024374.db2.gz	IGOZLOAEMKEGOI-UHFFFAOYSA-N	1	1	405.495	1.937	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Oc2ccc(NC(=O)COC)cc2)CC1=O	ZINC000733270254	1076025863	/nfs/dbraw/zinc/02/58/63/1076025863.db2.gz	MGKWZMWVTKSJHW-RDJZCZTQSA-N	1	1	403.479	1.510	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(CN3C[C@@H](c4ccccn4)CC3=O)CC2)CC1	ZINC000733299502	1076032798	/nfs/dbraw/zinc/03/27/98/1076032798.db2.gz	MGWUFICZMHWNLV-FQEVSTJZSA-N	1	1	413.566	1.621	20	0		HDADMO
CCOC(=O)N(C)C1CC[NH+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CC1	ZINC000727025785	1076033359	/nfs/dbraw/zinc/03/33/59/1076033359.db2.gz	LPZCQHYPIHDVME-IBGZPJMESA-N	1	1	417.506	1.666	20	0		HDADMO
COC[C@]1(C)NC(=O)N(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1=O	ZINC000733291711	1076040005	/nfs/dbraw/zinc/04/00/05/1076040005.db2.gz	PAACYCXYWFJKBD-SFHVURJKSA-N	1	1	414.428	1.737	20	0		HDADMO
CCC[N@@H+](CN1C(=O)N[C@@](C)(COC)C1=O)C1CCN(C(=O)c2ccccc2)CC1	ZINC000733296727	1076041602	/nfs/dbraw/zinc/04/16/02/1076041602.db2.gz	HNZLDWLPEIDHQV-QFIPXVFZSA-N	1	1	416.522	1.918	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000733338158	1076046024	/nfs/dbraw/zinc/04/60/24/1076046024.db2.gz	RHTOCRBZYZIZTG-INIZCTEOSA-N	1	1	411.547	1.286	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733353011	1076050056	/nfs/dbraw/zinc/05/00/56/1076050056.db2.gz	IWCOQPNHIPYNPB-OAHLLOKOSA-N	1	1	410.531	1.815	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)C2(NC(=O)OC(C)(C)C)CCCC2)CC1	ZINC000727132678	1076050406	/nfs/dbraw/zinc/05/04/06/1076050406.db2.gz	BOJUWJARJVKSOX-UHFFFAOYSA-N	1	1	410.559	1.931	20	0		HDADMO
CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1	ZINC000727136587	1076051289	/nfs/dbraw/zinc/05/12/89/1076051289.db2.gz	YHFQNVFAQNYUGG-ROUUACIJSA-N	1	1	410.559	1.692	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1=O	ZINC000733359004	1076051694	/nfs/dbraw/zinc/05/16/94/1076051694.db2.gz	VDIIMNNFWIBVLX-FCEWJHQRSA-N	1	1	419.522	1.186	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccnc2N2CCC(O)CC2)CC1=O	ZINC000733362411	1076053232	/nfs/dbraw/zinc/05/32/32/1076053232.db2.gz	ZPMPOECPQBOUEY-SJORKVTESA-N	1	1	415.538	1.314	20	0		HDADMO
CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CC1	ZINC000053944564	1076060298	/nfs/dbraw/zinc/06/02/98/1076060298.db2.gz	NTTULNXRJGJEDC-SHUWCMERSA-N	1	1	416.610	1.900	20	0		HDADMO
CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)C1=O	ZINC000727167587	1076067696	/nfs/dbraw/zinc/06/76/96/1076067696.db2.gz	VEYPVHLDOSDPGF-VFNWGFHPSA-N	1	1	402.495	1.787	20	0		HDADMO
CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@H](CCC(N)=O)C2)C1=O	ZINC000727167587	1076067698	/nfs/dbraw/zinc/06/76/98/1076067698.db2.gz	VEYPVHLDOSDPGF-VFNWGFHPSA-N	1	1	402.495	1.787	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1	ZINC000727174834	1076069867	/nfs/dbraw/zinc/06/98/67/1076069867.db2.gz	GBGXXYBTRQIZPW-KVOXRTSWSA-N	1	1	400.523	1.636	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)=NC(=O)N[C@H]1c1ccccc1	ZINC000727158253	1076071549	/nfs/dbraw/zinc/07/15/49/1076071549.db2.gz	JWGAIBIMOMAMAB-YWZLYKJASA-N	1	1	414.506	1.835	20	0		HDADMO
CCOC(=O)C1C(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)=NC(=O)N[C@H]1c1ccccc1	ZINC000727158253	1076071555	/nfs/dbraw/zinc/07/15/55/1076071555.db2.gz	JWGAIBIMOMAMAB-YWZLYKJASA-N	1	1	414.506	1.835	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(N3CCCC3)nc2)C1	ZINC000727208041	1076082156	/nfs/dbraw/zinc/08/21/56/1076082156.db2.gz	UCMIYHQLAGUBHV-SFHVURJKSA-N	1	1	404.511	1.312	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000727228972	1076085130	/nfs/dbraw/zinc/08/51/30/1076085130.db2.gz	LDHZFRDZWGXNQF-OAHLLOKOSA-N	1	1	407.540	1.193	20	0		HDADMO
COC(=O)N[C@H](C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(C)C	ZINC000733555207	1076097245	/nfs/dbraw/zinc/09/72/45/1076097245.db2.gz	KLDWZIBIERSXRM-FQEVSTJZSA-N	1	1	419.522	1.953	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)NC(=O)N[C@@H]1C	ZINC000727385059	1076102641	/nfs/dbraw/zinc/10/26/41/1076102641.db2.gz	XGMXRIIVWORZAU-VQIMIIECSA-N	1	1	416.522	1.476	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000733643487	1076136938	/nfs/dbraw/zinc/13/69/38/1076136938.db2.gz	QYBDRHHMGCWKPE-INIZCTEOSA-N	1	1	411.547	1.239	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)[C@H](C)CS(=O)(=O)CC	ZINC000733668947	1076150081	/nfs/dbraw/zinc/15/00/81/1076150081.db2.gz	HCJTUDZIOSIELU-CYBMUJFWSA-N	1	1	407.496	1.186	20	0		HDADMO
C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)cc2)C[C@H](C)O1	ZINC000733669661	1076151871	/nfs/dbraw/zinc/15/18/71/1076151871.db2.gz	RIDNVSPWDIDWHX-IRXDYDNUSA-N	1	1	400.523	1.935	20	0		HDADMO
CO[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(F)(F)F	ZINC000733672911	1076155435	/nfs/dbraw/zinc/15/54/35/1076155435.db2.gz	AHYZNEARKKOYBY-XJKCOSOUSA-N	1	1	417.428	1.928	20	0		HDADMO
CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cn1	ZINC000727607479	1076178512	/nfs/dbraw/zinc/17/85/12/1076178512.db2.gz	NQLGIOOWCCORCL-UHFFFAOYSA-N	1	1	407.471	1.206	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CN(CC)c3ccccc3O2)CC1	ZINC000733793516	1076199748	/nfs/dbraw/zinc/19/97/48/1076199748.db2.gz	GLBAFWLYEINEAA-ROUUACIJSA-N	1	1	418.538	1.895	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2CN(CC)c3ccccc3O2)CC1	ZINC000733793516	1076199752	/nfs/dbraw/zinc/19/97/52/1076199752.db2.gz	GLBAFWLYEINEAA-ROUUACIJSA-N	1	1	418.538	1.895	20	0		HDADMO
COC(=O)[C@@H]1CC12CC[NH+](CN1C(=O)C(=O)N(Cc3ccc(OC)cc3)C1=O)CC2	ZINC000733791470	1076208201	/nfs/dbraw/zinc/20/82/01/1076208201.db2.gz	OLTCDWJEAWSETO-INIZCTEOSA-N	1	1	415.446	1.219	20	0		HDADMO
C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[N@@H+](C)C1CC1	ZINC000727742475	1076216506	/nfs/dbraw/zinc/21/65/06/1076216506.db2.gz	RULMWUJZABMAAM-CJNGLKHVSA-N	1	1	421.519	1.223	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	ZINC000727765812	1076219340	/nfs/dbraw/zinc/21/93/40/1076219340.db2.gz	IPPXFSWKBWDDFS-FUHIMQAGSA-N	1	1	416.522	1.800	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727754942	1076229200	/nfs/dbraw/zinc/22/92/00/1076229200.db2.gz	KQGSROYHHNYLOQ-LJQANCHMSA-N	1	1	400.504	1.281	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCC3(CNC(=O)C3)CC2)c2cccs2)CC1	ZINC000530751887	1076236560	/nfs/dbraw/zinc/23/65/60/1076236560.db2.gz	XEINPEZTDPMHMT-MRXNPFEDSA-N	1	1	405.568	1.348	20	0		HDADMO
C[C@@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000530965096	1076236936	/nfs/dbraw/zinc/23/69/36/1076236936.db2.gz	DDXZOLQDBNAJHN-MJGOQNOKSA-N	1	1	400.523	1.588	20	0		HDADMO
C[C@@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000530965096	1076236941	/nfs/dbraw/zinc/23/69/41/1076236941.db2.gz	DDXZOLQDBNAJHN-MJGOQNOKSA-N	1	1	400.523	1.588	20	0		HDADMO
CCc1ccc(N2C[C@H](C(=O)NCC3CCN(CC[NH+](C)C)CC3)CC2=O)cc1	ZINC000733882142	1076238549	/nfs/dbraw/zinc/23/85/49/1076238549.db2.gz	BCSSBHGICREKAG-HXUWFJFHSA-N	1	1	400.567	1.992	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1	ZINC000733882951	1076238898	/nfs/dbraw/zinc/23/88/98/1076238898.db2.gz	ZUCBRNDNKCYHEX-UHFFFAOYSA-N	1	1	416.595	1.932	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(Cc3nc4ccccc4s3)CC2)C[C@H](C)O1	ZINC000533098511	1076240932	/nfs/dbraw/zinc/24/09/32/1076240932.db2.gz	DJIMXXJPUBDDRO-KSZLIROESA-N	1	1	404.580	1.884	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)no1	ZINC000533125913	1076241251	/nfs/dbraw/zinc/24/12/51/1076241251.db2.gz	FNXKDXYQXKKRDR-INIZCTEOSA-N	1	1	402.499	1.992	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)no1	ZINC000533584714	1076243716	/nfs/dbraw/zinc/24/37/16/1076243716.db2.gz	QRIBOGPEWNBNCB-QZTJIDSGSA-N	1	1	419.526	1.225	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1	ZINC000533831338	1076245543	/nfs/dbraw/zinc/24/55/43/1076245543.db2.gz	FHIIJQLBXHXLDQ-FQEVSTJZSA-N	1	1	404.470	1.361	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1	ZINC000533831338	1076245545	/nfs/dbraw/zinc/24/55/45/1076245545.db2.gz	FHIIJQLBXHXLDQ-FQEVSTJZSA-N	1	1	404.470	1.361	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000534554819	1076248243	/nfs/dbraw/zinc/24/82/43/1076248243.db2.gz	XWBGVSWJSXHFFU-FQEVSTJZSA-N	1	1	422.533	1.606	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000534554819	1076248252	/nfs/dbraw/zinc/24/82/52/1076248252.db2.gz	XWBGVSWJSXHFFU-FQEVSTJZSA-N	1	1	422.533	1.606	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000535263526	1076250600	/nfs/dbraw/zinc/25/06/00/1076250600.db2.gz	ABFAIEXIQDZOSK-QFBILLFUSA-N	1	1	420.521	1.827	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000535263526	1076250603	/nfs/dbraw/zinc/25/06/03/1076250603.db2.gz	ABFAIEXIQDZOSK-QFBILLFUSA-N	1	1	420.521	1.827	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000535267013	1076251031	/nfs/dbraw/zinc/25/10/31/1076251031.db2.gz	AWCCABUAIJDIGB-LJQANCHMSA-N	1	1	402.520	1.923	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000535267013	1076251036	/nfs/dbraw/zinc/25/10/36/1076251036.db2.gz	AWCCABUAIJDIGB-LJQANCHMSA-N	1	1	402.520	1.923	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000536035057	1076254274	/nfs/dbraw/zinc/25/42/74/1076254274.db2.gz	FJQULPBZWPPKCU-PMACEKPBSA-N	1	1	400.523	1.003	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000536035057	1076254276	/nfs/dbraw/zinc/25/42/76/1076254276.db2.gz	FJQULPBZWPPKCU-PMACEKPBSA-N	1	1	400.523	1.003	20	0		HDADMO
COCCOCC(=O)NC1CCC(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536036074	1076254705	/nfs/dbraw/zinc/25/47/05/1076254705.db2.gz	QKGIMLOJQFITDA-NLPFYKDJSA-N	1	1	403.523	1.627	20	0		HDADMO
COCCOCC(=O)NC1CCC(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536036074	1076254710	/nfs/dbraw/zinc/25/47/10/1076254710.db2.gz	QKGIMLOJQFITDA-NLPFYKDJSA-N	1	1	403.523	1.627	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000144321282	1076256086	/nfs/dbraw/zinc/25/60/86/1076256086.db2.gz	KNBQZPIFBNZDNN-HOTGVXAUSA-N	1	1	416.522	1.380	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000144321282	1076256088	/nfs/dbraw/zinc/25/60/88/1076256088.db2.gz	KNBQZPIFBNZDNN-HOTGVXAUSA-N	1	1	416.522	1.380	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+](CC)CC(C)(C)O)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000733896572	1076257174	/nfs/dbraw/zinc/25/71/74/1076257174.db2.gz	JHXWMGBVLANILB-GOSISDBHSA-N	1	1	405.495	1.959	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+](CC)CC(C)(C)O)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000733896572	1076257176	/nfs/dbraw/zinc/25/71/76/1076257176.db2.gz	JHXWMGBVLANILB-GOSISDBHSA-N	1	1	405.495	1.959	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](CC)CC(C)(C)O)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000733896572	1076257180	/nfs/dbraw/zinc/25/71/80/1076257180.db2.gz	JHXWMGBVLANILB-GOSISDBHSA-N	1	1	405.495	1.959	20	0		HDADMO
CC(C)[N@H+]1CCCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1	ZINC000727832006	1076264175	/nfs/dbraw/zinc/26/41/75/1076264175.db2.gz	LOCVHPPEXWYSTR-JOCHJYFZSA-N	1	1	415.538	1.377	20	0		HDADMO
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[N@H+](C(C)C)CC2)C1=O	ZINC000727832223	1076264193	/nfs/dbraw/zinc/26/41/93/1076264193.db2.gz	POMHIRIXHJLDLC-NRFANRHFSA-N	1	1	401.511	1.291	20	0		HDADMO
Cn1ncc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1I	ZINC000379137904	1076265701	/nfs/dbraw/zinc/26/57/01/1076265701.db2.gz	YZLIYTQBWKBELZ-GFCCVEGCSA-N	1	1	418.279	1.352	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000727853024	1076272339	/nfs/dbraw/zinc/27/23/39/1076272339.db2.gz	FCJMUOQRTSWTFW-ZIAGYGMSSA-N	1	1	420.432	1.090	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O	ZINC000727860209	1076274667	/nfs/dbraw/zinc/27/46/67/1076274667.db2.gz	XQFSBNHDLUAOFW-GOSISDBHSA-N	1	1	422.485	1.932	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000727860256	1076274739	/nfs/dbraw/zinc/27/47/39/1076274739.db2.gz	ZPKFHRUJMPZVTL-CQSZACIVSA-N	1	1	424.548	1.139	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2cnc(-c3ccccn3)s2)C1	ZINC000727886850	1076276286	/nfs/dbraw/zinc/27/62/86/1076276286.db2.gz	SWIGPKNKIDTYMM-OAHLLOKOSA-N	1	1	418.519	1.835	20	0		HDADMO
C[NH+](C)CCN1CCC(CNC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1	ZINC000733976548	1076280806	/nfs/dbraw/zinc/28/08/06/1076280806.db2.gz	RKJZWZRKOUGMCK-FQEVSTJZSA-N	1	1	402.539	1.960	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000733976466	1076280891	/nfs/dbraw/zinc/28/08/91/1076280891.db2.gz	QEBHVTKJBCTHKM-QGZVFWFLSA-N	1	1	416.595	1.932	20	0		HDADMO
COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)c1	ZINC000727951303	1076295772	/nfs/dbraw/zinc/29/57/72/1076295772.db2.gz	HSGJTYDNMJBJJO-UHFFFAOYSA-N	1	1	406.483	1.763	20	0		HDADMO
CCn1cc(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cn1	ZINC000734044279	1076298107	/nfs/dbraw/zinc/29/81/07/1076298107.db2.gz	WCVSAHBMYHTOET-UHFFFAOYSA-N	1	1	400.479	1.803	20	0		HDADMO
COc1ccccc1CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1	ZINC001083148646	1076305857	/nfs/dbraw/zinc/30/58/57/1076305857.db2.gz	YNYCYRRCTYBDIJ-ZSMYUXGJSA-N	1	1	412.530	1.963	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000728031619	1076312363	/nfs/dbraw/zinc/31/23/63/1076312363.db2.gz	PXDZWQIWEHJFTN-FQEVSTJZSA-N	1	1	421.563	1.714	20	0		HDADMO
CCc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c1	ZINC001083151762	1076317248	/nfs/dbraw/zinc/31/72/48/1076317248.db2.gz	SLXIUBMSLOWROE-RTOMLYRKSA-N	1	1	400.519	1.712	20	0		HDADMO
C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000728053055	1076321211	/nfs/dbraw/zinc/32/12/11/1076321211.db2.gz	GKRIDEQAWHWFSK-WIYYLYMNSA-N	1	1	417.550	1.608	20	0		HDADMO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@@H](C4OCCO4)C3)cc2)CC1	ZINC000728055584	1076322472	/nfs/dbraw/zinc/32/24/72/1076322472.db2.gz	VVUZSNGZKZFRGZ-GOSISDBHSA-N	1	1	402.539	1.852	20	0		HDADMO
COc1ccccc1C[NH+]1CCN(C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000728055605	1076322663	/nfs/dbraw/zinc/32/26/63/1076322663.db2.gz	ARWXFKOVHGKJNB-FQEVSTJZSA-N	1	1	404.532	1.950	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1	ZINC000728077447	1076334319	/nfs/dbraw/zinc/33/43/19/1076334319.db2.gz	JAKFHKWFJMIILN-IAGOWNOFSA-N	1	1	420.941	1.392	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C(F)(F)F)n1	ZINC000728078135	1076334785	/nfs/dbraw/zinc/33/47/85/1076334785.db2.gz	ULCRRXQGTPYIJH-LRDDRELGSA-N	1	1	422.473	1.295	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000728121047	1076338551	/nfs/dbraw/zinc/33/85/51/1076338551.db2.gz	NWEVWXDOTPYLAR-UHFFFAOYSA-N	1	1	421.517	1.774	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(CCC(N)=O)n2C)CC1	ZINC000029619555	1076363105	/nfs/dbraw/zinc/36/31/05/1076363105.db2.gz	CMKGYVYLELNJKK-OAHLLOKOSA-N	1	1	416.551	1.231	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3cccc(C)c3)C2=O)c1	ZINC000728173088	1076364547	/nfs/dbraw/zinc/36/45/47/1076364547.db2.gz	PFDOLSDERZVAIB-JOCHJYFZSA-N	1	1	410.474	1.934	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3cccc(C)c3)C2=O)c1	ZINC000728173088	1076364551	/nfs/dbraw/zinc/36/45/51/1076364551.db2.gz	PFDOLSDERZVAIB-JOCHJYFZSA-N	1	1	410.474	1.934	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2nnnn2CC(F)(F)F)cn1	ZINC000729967729	1076399650	/nfs/dbraw/zinc/39/96/50/1076399650.db2.gz	YYAPUIRDAXRINW-UHFFFAOYSA-N	1	1	412.401	1.533	20	0		HDADMO
CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)CCCn2cc[nH+]c2C)c1	ZINC000729974796	1076401165	/nfs/dbraw/zinc/40/11/65/1076401165.db2.gz	ATRGSOGQKIUNKC-ZDUSSCGKSA-N	1	1	407.496	1.023	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1	ZINC000729980620	1076404684	/nfs/dbraw/zinc/40/46/84/1076404684.db2.gz	QYOKGCBZJJLGEM-MRXNPFEDSA-N	1	1	413.515	1.451	20	0		HDADMO
CNC(=O)C1(C(=O)OCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCC1	ZINC000730046460	1076420385	/nfs/dbraw/zinc/42/03/85/1076420385.db2.gz	UWWFPVTZWMMUED-UHFFFAOYSA-N	1	1	423.513	1.944	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)Cc2coc(-c3cccs3)n2)C1	ZINC000730057786	1076429211	/nfs/dbraw/zinc/42/92/11/1076429211.db2.gz	JURFCNLJDGTQHM-INIZCTEOSA-N	1	1	421.519	1.962	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1F	ZINC000730083929	1076430622	/nfs/dbraw/zinc/43/06/22/1076430622.db2.gz	BPNTXMVXALEIDR-DLBZAZTESA-N	1	1	413.515	1.184	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1	ZINC000730083580	1076431258	/nfs/dbraw/zinc/43/12/58/1076431258.db2.gz	PYFGUNPJRQYJQN-IAGOWNOFSA-N	1	1	415.943	1.262	20	0		HDADMO
O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O	ZINC000730090601	1076445628	/nfs/dbraw/zinc/44/56/28/1076445628.db2.gz	KYQMUTYLUSAXCE-UHFFFAOYSA-N	1	1	409.427	1.827	20	0		HDADMO
CCN(C)c1ccccc1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1	ZINC000730134742	1076460187	/nfs/dbraw/zinc/46/01/87/1076460187.db2.gz	HIFMHLUOUHEIKY-UHFFFAOYSA-N	1	1	401.555	1.838	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000730123968	1076464834	/nfs/dbraw/zinc/46/48/34/1076464834.db2.gz	AUTYELQFKACHAV-KURKYZTESA-N	1	1	411.591	1.957	20	0		HDADMO
COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000730266712	1076507566	/nfs/dbraw/zinc/50/75/66/1076507566.db2.gz	ZYMSRQJTDFSUGM-KGLIPLIRSA-N	1	1	400.520	1.472	20	0		HDADMO
NC(=O)C[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1	ZINC000730274803	1076517648	/nfs/dbraw/zinc/51/76/48/1076517648.db2.gz	XNWJHIKSUIJJPK-UHFFFAOYSA-N	1	1	406.284	1.314	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1	ZINC000730309839	1076525042	/nfs/dbraw/zinc/52/50/42/1076525042.db2.gz	XDWZDTRCPWUBLR-LJQANCHMSA-N	1	1	419.547	1.494	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1	ZINC000730310879	1076525817	/nfs/dbraw/zinc/52/58/17/1076525817.db2.gz	MNNVKNMLUOSKNT-YJBOKZPZSA-N	1	1	405.520	1.356	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1	ZINC000730310877	1076525857	/nfs/dbraw/zinc/52/58/57/1076525857.db2.gz	MNNVKNMLUOSKNT-QAPCUYQASA-N	1	1	405.520	1.356	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000730310421	1076526157	/nfs/dbraw/zinc/52/61/57/1076526157.db2.gz	VFMPHYYGPAKYJX-QGZVFWFLSA-N	1	1	405.520	1.186	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1	ZINC000730313961	1076528518	/nfs/dbraw/zinc/52/85/18/1076528518.db2.gz	YHVMWTFCPDGHHU-SJLPKXTDSA-N	1	1	419.547	1.747	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C1	ZINC000730385140	1076553562	/nfs/dbraw/zinc/55/35/62/1076553562.db2.gz	PJVMOWKBEMBSIN-OAHLLOKOSA-N	1	1	403.458	1.423	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCOc2ccc(F)c(F)c2)cn1	ZINC000730388201	1076567132	/nfs/dbraw/zinc/56/71/32/1076567132.db2.gz	PBEOAOBGZNYDEP-UHFFFAOYSA-N	1	1	401.373	1.988	20	0		HDADMO
CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@@H](C)O	ZINC000730419147	1076574732	/nfs/dbraw/zinc/57/47/32/1076574732.db2.gz	GFOOKIHSXLYURN-GIIHOQTISA-N	1	1	409.552	1.223	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=S)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000730467584	1076580571	/nfs/dbraw/zinc/58/05/71/1076580571.db2.gz	GDOPNWBFHSERMR-IBGZPJMESA-N	1	1	418.607	1.977	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000730559307	1076594476	/nfs/dbraw/zinc/59/44/76/1076594476.db2.gz	DBFMDHFJVBOVPP-MRXNPFEDSA-N	1	1	415.506	1.925	20	0		HDADMO
C[C@H](NC(=O)NCCC[NH+]1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1	ZINC000730669579	1076634536	/nfs/dbraw/zinc/63/45/36/1076634536.db2.gz	BHUKQDVZRQJGJG-INIZCTEOSA-N	1	1	408.518	1.869	20	0		HDADMO
COc1cc(F)c(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1OC	ZINC000730679485	1076636388	/nfs/dbraw/zinc/63/63/88/1076636388.db2.gz	DBBHFLWTTNINGN-UHFFFAOYSA-N	1	1	413.409	1.987	20	0		HDADMO
COC(=O)NCCC(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1	ZINC000730771440	1076648878	/nfs/dbraw/zinc/64/88/78/1076648878.db2.gz	ROSWJVLSVOJUIV-UHFFFAOYSA-N	1	1	415.494	1.868	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000730825196	1076662635	/nfs/dbraw/zinc/66/26/35/1076662635.db2.gz	MMIJJXAEHRUCQH-HOTGVXAUSA-N	1	1	411.547	1.273	20	0		HDADMO
NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000730807880	1076666211	/nfs/dbraw/zinc/66/62/11/1076666211.db2.gz	AFYVCVZSDGXDBX-JOCHJYFZSA-N	1	1	408.502	1.937	20	0		HDADMO
NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000730807880	1076666212	/nfs/dbraw/zinc/66/62/12/1076666212.db2.gz	AFYVCVZSDGXDBX-JOCHJYFZSA-N	1	1	408.502	1.937	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1	ZINC000730906239	1076681100	/nfs/dbraw/zinc/68/11/00/1076681100.db2.gz	REPCTSRDNTWFDS-HNNXBMFYSA-N	1	1	402.417	1.202	20	0		HDADMO
CC(C)[C@H](CNC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1	ZINC000730904817	1076688538	/nfs/dbraw/zinc/68/85/38/1076688538.db2.gz	FBEKCVLRLGVXNQ-MSOLQXFVSA-N	1	1	411.591	1.957	20	0		HDADMO
CN(C[C@H]1CCCOC1)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000730919266	1076692812	/nfs/dbraw/zinc/69/28/12/1076692812.db2.gz	IGQRLPXHZRKWEY-OAHLLOKOSA-N	1	1	408.930	1.915	20	0		HDADMO
CN(C[C@@H]1CCCOC1)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000730919264	1076692863	/nfs/dbraw/zinc/69/28/63/1076692863.db2.gz	IGQRLPXHZRKWEY-HNNXBMFYSA-N	1	1	408.930	1.915	20	0		HDADMO
CCOC(=O)N[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)C	ZINC000731008884	1076710102	/nfs/dbraw/zinc/71/01/02/1076710102.db2.gz	VTBWQTDHPCSAHI-OALUTQOASA-N	1	1	418.538	1.771	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1	ZINC000731024856	1076712872	/nfs/dbraw/zinc/71/28/72/1076712872.db2.gz	IOHWFKFAMYGEIA-CQSZACIVSA-N	1	1	415.943	1.433	20	0		HDADMO
Cc1nccn1-c1ncccc1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000731120131	1076725977	/nfs/dbraw/zinc/72/59/77/1076725977.db2.gz	OJRDSJXWNSPKCI-FQEVSTJZSA-N	1	1	411.554	1.887	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)COCC(=O)NCc3cccnc3)cc2)CC1	ZINC000731183485	1076746568	/nfs/dbraw/zinc/74/65/68/1076746568.db2.gz	XNRCFDJRURTWEA-UHFFFAOYSA-N	1	1	411.506	1.495	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(C)nc4cc(F)ccc43)CC2)C1=O	ZINC001164635612	719270741	/nfs/dbraw/zinc/27/07/41/719270741.db2.gz	SLRVVYIYVILQHW-UHFFFAOYSA-N	1	1	401.486	1.837	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)nc4cc(F)ccc43)CC2)C1=O	ZINC001164635612	719270747	/nfs/dbraw/zinc/27/07/47/719270747.db2.gz	SLRVVYIYVILQHW-UHFFFAOYSA-N	1	1	401.486	1.837	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2	ZINC001164650070	719315089	/nfs/dbraw/zinc/31/50/89/719315089.db2.gz	AIYVGGSCTQVGBB-UHFFFAOYSA-N	1	1	406.556	1.734	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1	ZINC001164672360	719419661	/nfs/dbraw/zinc/41/96/61/719419661.db2.gz	QXKUGCXELGCZBN-MSOLQXFVSA-N	1	1	418.519	1.800	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1	ZINC001164672360	719419670	/nfs/dbraw/zinc/41/96/70/719419670.db2.gz	QXKUGCXELGCZBN-MSOLQXFVSA-N	1	1	418.519	1.800	20	0		HDADMO
Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C	ZINC000301638448	719440801	/nfs/dbraw/zinc/44/08/01/719440801.db2.gz	FRMNTTAOUPDAIF-HZPDHXFCSA-N	1	1	403.552	1.660	20	0		HDADMO
c1cn(C2CCCC2)c2nc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c12	ZINC001164678713	719580439	/nfs/dbraw/zinc/58/04/39/719580439.db2.gz	UBDRMSKJHPQAOD-UHFFFAOYSA-N	1	1	408.510	1.990	20	0		HDADMO
CCOC(=O)N1CCc2nnc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)cc2C1	ZINC001164690310	719741572	/nfs/dbraw/zinc/74/15/72/719741572.db2.gz	ZHMSRBXHFODBAU-UHFFFAOYSA-N	1	1	416.526	1.172	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)COc1cncc(Cl)n1)CC2	ZINC001164689581	719743358	/nfs/dbraw/zinc/74/33/58/719743358.db2.gz	IIOGXERJWDRSPZ-UHFFFAOYSA-N	1	1	403.861	1.778	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cnccc21	ZINC001164699404	719849139	/nfs/dbraw/zinc/84/91/39/719849139.db2.gz	IJECPPWAARVDGQ-DJJJIMSYSA-N	1	1	405.886	1.911	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC	ZINC001164701874	719857420	/nfs/dbraw/zinc/85/74/20/719857420.db2.gz	LIASVHKQACVAIY-KKSFZXQISA-N	1	1	417.510	1.310	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(OC)c2ccccc21	ZINC001164706780	719867842	/nfs/dbraw/zinc/86/78/42/719867842.db2.gz	QMDDNULVAHTHQB-BTYIYWSLSA-N	1	1	400.479	1.871	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cccc(OC)c21	ZINC001164707159	719870002	/nfs/dbraw/zinc/87/00/02/719870002.db2.gz	QVZAQTHJJFAYIL-BTYIYWSLSA-N	1	1	400.479	1.871	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(N)=O)cc2ccccc21	ZINC001164707848	719871453	/nfs/dbraw/zinc/87/14/53/719871453.db2.gz	WCIMZZPZJGGXOM-KSFYIVLOSA-N	1	1	412.490	1.566	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1	ZINC001164705725	719871704	/nfs/dbraw/zinc/87/17/04/719871704.db2.gz	OCWRWKKGYPETHG-DENIHFKCSA-N	1	1	402.539	1.909	20	0		HDADMO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCN(C)CC3)nn1)C2	ZINC001164807953	720075448	/nfs/dbraw/zinc/07/54/48/720075448.db2.gz	GPXUTTRLPBWPAM-SIKLNZKXSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCN(C)CC3)nn1)C2	ZINC001164807953	720075453	/nfs/dbraw/zinc/07/54/53/720075453.db2.gz	GPXUTTRLPBWPAM-SIKLNZKXSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)nc3cnccc31)C2	ZINC001164814971	720132523	/nfs/dbraw/zinc/13/25/23/720132523.db2.gz	UUOVPSYJCVVPJS-OPAMFIHVSA-N	1	1	411.506	1.996	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(N)=O)c(Cl)cn1)CCC2	ZINC001164812956	720212712	/nfs/dbraw/zinc/21/27/12/720212712.db2.gz	NKVYYWWMCWCBCE-UHFFFAOYSA-N	1	1	404.902	1.641	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164813410	720217731	/nfs/dbraw/zinc/21/77/31/720217731.db2.gz	LPQAOFXRISKZFM-UHFFFAOYSA-N	1	1	415.494	1.684	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(C(N)=O)n1)CCC2	ZINC001164813948	720219275	/nfs/dbraw/zinc/21/92/75/720219275.db2.gz	PRZOWBJYKVAGNK-UHFFFAOYSA-N	1	1	405.890	1.036	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccncc43)C2)C1	ZINC001164716730	720221465	/nfs/dbraw/zinc/22/14/65/720221465.db2.gz	DLDSQPSMITUSHG-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccncc43)C2)C1	ZINC001164716730	720221477	/nfs/dbraw/zinc/22/14/77/720221477.db2.gz	DLDSQPSMITUSHG-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CCOC(=O)/C=C/c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1	ZINC001164720660	720266628	/nfs/dbraw/zinc/26/66/28/720266628.db2.gz	BVVLGGLIISTZAV-XOPAWIAISA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)/C=C/c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1	ZINC001164720660	720266647	/nfs/dbraw/zinc/26/66/47/720266647.db2.gz	BVVLGGLIISTZAV-XOPAWIAISA-N	1	1	416.522	1.323	20	0		HDADMO
CCCN(CCC)c1cncc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1	ZINC001164720959	720269992	/nfs/dbraw/zinc/26/99/92/720269992.db2.gz	GBNQTYXDXYTQCQ-QFIPXVFZSA-N	1	1	418.586	1.768	20	0		HDADMO
CCCN(CCC)c1cncc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1	ZINC001164720959	720270001	/nfs/dbraw/zinc/27/00/01/720270001.db2.gz	GBNQTYXDXYTQCQ-QFIPXVFZSA-N	1	1	418.586	1.768	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C(OC)OC)C2)C1	ZINC001164721997	720274208	/nfs/dbraw/zinc/27/42/08/720274208.db2.gz	ODZYPKBEPKBPIK-OAQYLSRUSA-N	1	1	406.527	1.346	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C(OC)OC)C2)C1	ZINC001164721997	720274223	/nfs/dbraw/zinc/27/42/23/720274223.db2.gz	ODZYPKBEPKBPIK-OAQYLSRUSA-N	1	1	406.527	1.346	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc4nc(C(=O)OC)cc-4c[nH]3)C2)C1	ZINC001164720925	720274263	/nfs/dbraw/zinc/27/42/63/720274263.db2.gz	FPUHZWVJDITLQE-OAQYLSRUSA-N	1	1	415.494	1.014	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc4nc(C(=O)OC)cc-4c[nH]3)C2)C1	ZINC001164720925	720274275	/nfs/dbraw/zinc/27/42/75/720274275.db2.gz	FPUHZWVJDITLQE-OAQYLSRUSA-N	1	1	415.494	1.014	20	0		HDADMO
CNC(=O)CN1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1	ZINC001164721485	720279298	/nfs/dbraw/zinc/27/92/98/720279298.db2.gz	JWJGTZBCNKFCQH-OAQYLSRUSA-N	1	1	400.527	1.677	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccc(OC)cc4nc3C)C2)C1	ZINC001164722891	720294214	/nfs/dbraw/zinc/29/42/14/720294214.db2.gz	TUGDKVBJITYNLU-JOCHJYFZSA-N	1	1	413.522	1.612	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccc(OC)cc4nc3C)C2)C1	ZINC001164722891	720294233	/nfs/dbraw/zinc/29/42/33/720294233.db2.gz	TUGDKVBJITYNLU-JOCHJYFZSA-N	1	1	413.522	1.612	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccnc(-c4nccs4)n3)C2)C1	ZINC001164720889	720308364	/nfs/dbraw/zinc/30/83/64/720308364.db2.gz	BXPGNPFMZGANFV-IBGZPJMESA-N	1	1	402.524	1.265	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccnc(-c4nccs4)n3)C2)C1	ZINC001164720889	720308370	/nfs/dbraw/zinc/30/83/70/720308370.db2.gz	BXPGNPFMZGANFV-IBGZPJMESA-N	1	1	402.524	1.265	20	0		HDADMO
CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ccnc(N2CC[NH+](C)CC2)n1	ZINC001164724957	720316264	/nfs/dbraw/zinc/31/62/64/720316264.db2.gz	TYXHHPUXSJUDAR-SFHVURJKSA-N	1	1	412.542	1.246	20	0		HDADMO
c1nc2n(c1CN1CCCC1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2	ZINC001164736999	720590727	/nfs/dbraw/zinc/59/07/27/720590727.db2.gz	XWFCFNLDELMUTM-UHFFFAOYSA-N	1	1	411.554	1.710	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164742992	720613195	/nfs/dbraw/zinc/61/31/95/720613195.db2.gz	NWTQUUFQBZKRJK-OLZOCXBDSA-N	1	1	404.858	1.439	20	0		HDADMO
COC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164745731	720634814	/nfs/dbraw/zinc/63/48/14/720634814.db2.gz	WEJGLENKKSYFLZ-JKSUJKDBSA-N	1	1	406.446	1.548	20	0		HDADMO
COC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164745729	720636656	/nfs/dbraw/zinc/63/66/56/720636656.db2.gz	WEJGLENKKSYFLZ-HOTGVXAUSA-N	1	1	406.446	1.548	20	0		HDADMO
CC(C)(C)OC(=O)Nc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncn1	ZINC001164743082	720641516	/nfs/dbraw/zinc/64/15/16/720641516.db2.gz	OWNMBSJSRQTXHO-GJZGRUSLSA-N	1	1	413.482	1.956	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(S(N)(=O)=O)n3)CC[C@@H]21	ZINC001164843236	720647073	/nfs/dbraw/zinc/64/70/73/720647073.db2.gz	VSASUMQXMSCPQL-IKGGRYGDSA-N	1	1	404.540	1.303	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(S(N)(=O)=O)cc3F)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164844244	720648099	/nfs/dbraw/zinc/64/80/99/720648099.db2.gz	ZIDMCKATTCVDLR-RVKKMQEKSA-N	1	1	422.530	1.442	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12	ZINC001164740792	720651267	/nfs/dbraw/zinc/65/12/67/720651267.db2.gz	JAIRURCOLNXXQO-KBPBESRZSA-N	1	1	409.450	1.267	20	0		HDADMO
Clc1cc(C2CC[NH2+]CC2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164739623	720664013	/nfs/dbraw/zinc/66/40/13/720664013.db2.gz	OHGYRCVMOBFEPT-HZPDHXFCSA-N	1	1	415.929	1.729	20	0		HDADMO
COC(=O)c1cc2c(OC)[nH]c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cc-2n1	ZINC001164742662	720689496	/nfs/dbraw/zinc/68/94/96/720689496.db2.gz	WGUCZAYGHJJQKY-UONOGXRCSA-N	1	1	424.461	1.490	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737618	720693825	/nfs/dbraw/zinc/69/38/25/720693825.db2.gz	GPNVMDFIYNWUFZ-DLBZAZTESA-N	1	1	420.473	1.938	20	0		HDADMO
CCc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)n1	ZINC001164746946	720730089	/nfs/dbraw/zinc/73/00/89/720730089.db2.gz	ZBVJRKZNRDLTLB-ZWKOTPCHSA-N	1	1	411.510	1.008	20	0		HDADMO
FC(F)(COc1ccc(Cl)nn1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743421	720762274	/nfs/dbraw/zinc/76/22/74/720762274.db2.gz	QAEFMTICOMVKEP-QWHCGFSZSA-N	1	1	412.828	1.729	20	0		HDADMO
Clc1nc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164748288	720793811	/nfs/dbraw/zinc/79/38/11/720793811.db2.gz	QILRXBCKISJRQI-QWRGUYRKSA-N	1	1	419.276	1.859	20	0		HDADMO
COc1cc(OC)c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164744927	720804512	/nfs/dbraw/zinc/80/45/12/720804512.db2.gz	JTDIOPFQIUBEPC-GOEBONIOSA-N	1	1	408.462	1.779	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164747914	720805711	/nfs/dbraw/zinc/80/57/11/720805711.db2.gz	PSBFIWPVAXLQBE-QWHCGFSZSA-N	1	1	403.874	1.012	20	0		HDADMO
COc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740710	720819676	/nfs/dbraw/zinc/81/96/76/720819676.db2.gz	LCHXLXUKGYYYLA-RBSFLKMASA-N	1	1	404.906	1.505	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@@H]2C1	ZINC001164850978	720835570	/nfs/dbraw/zinc/83/55/70/720835570.db2.gz	FXVUGXLUBFTSDU-TZMCWYRMSA-N	1	1	418.872	1.552	20	0		HDADMO
Cc1cn(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cn1	ZINC001164743600	720839022	/nfs/dbraw/zinc/83/90/22/720839022.db2.gz	JOEVIAGTLQGBJZ-SLFFLAALSA-N	1	1	419.537	1.942	20	0		HDADMO
CCNC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164749672	720845778	/nfs/dbraw/zinc/84/57/78/720845778.db2.gz	WOKDTWSKJWFANC-VAMGGRTRSA-N	1	1	409.538	1.802	20	0		HDADMO
CCOC(=O)c1cc2ccnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c2[nH]1	ZINC001164849623	720849713	/nfs/dbraw/zinc/84/97/13/720849713.db2.gz	CBDMKMFNUOQPAR-AEFFLSMTSA-N	1	1	402.495	1.913	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cnc4cc(OC)c(OC)cc4n3)CC[C@H]2C1	ZINC001164849245	720852088	/nfs/dbraw/zinc/85/20/88/720852088.db2.gz	BOSXKNJJRHADMB-MGPUTAFESA-N	1	1	402.495	1.821	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC[C@@H]2C1	ZINC001164855498	720862473	/nfs/dbraw/zinc/86/24/73/720862473.db2.gz	NBJVCRRKBBBVJE-MOPGFXCFSA-N	1	1	412.538	1.778	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(OC)nc(N4CCCCCC4)n3)CC[C@@H]2C1	ZINC001164862097	720873598	/nfs/dbraw/zinc/87/35/98/720873598.db2.gz	QOODMLWPTNZRHJ-QZTJIDSGSA-N	1	1	420.558	1.434	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)CC[C@@H]2C1	ZINC001164855202	720882563	/nfs/dbraw/zinc/88/25/63/720882563.db2.gz	GKYFPTLEIOOVFG-APWZRJJASA-N	1	1	403.527	1.323	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164861971	720892404	/nfs/dbraw/zinc/89/24/04/720892404.db2.gz	ZSEZPGOLGCHVCF-ZBFHGGJFSA-N	1	1	411.934	1.443	20	0		HDADMO
c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CC[N@H+]3C2)c1	ZINC001164867979	721052243	/nfs/dbraw/zinc/05/22/43/721052243.db2.gz	LPJWOBLYAXYPKB-FGZHOGPDSA-N	1	1	409.534	1.789	20	0		HDADMO
CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12	ZINC001164768654	721094656	/nfs/dbraw/zinc/09/46/56/721094656.db2.gz	OCAAOWAKKQTKPL-CVEARBPZSA-N	1	1	409.494	1.826	20	0		HDADMO
COC(OC)c1c(CO)ccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865932	721121660	/nfs/dbraw/zinc/12/16/60/721121660.db2.gz	QAABBVWNWWAEEP-RBUKOAKNSA-N	1	1	414.506	1.740	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164772223	721159782	/nfs/dbraw/zinc/15/97/82/721159782.db2.gz	UKXBCSRNHHTMRV-IAGOWNOFSA-N	1	1	404.540	1.072	20	0		HDADMO
c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@H+]3C2)c1	ZINC001164880985	721169510	/nfs/dbraw/zinc/16/95/10/721169510.db2.gz	YOQQMWAOYIXYFW-RBUKOAKNSA-N	1	1	412.563	1.905	20	0		HDADMO
CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2C1	ZINC001164872198	721183495	/nfs/dbraw/zinc/18/34/95/721183495.db2.gz	GUPZWRIGDJMWFV-SJORKVTESA-N	1	1	414.941	1.993	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164867459	721196325	/nfs/dbraw/zinc/19/63/25/721196325.db2.gz	GHKJTQPFWLYJMM-HOTGVXAUSA-N	1	1	416.913	1.754	20	0		HDADMO
CNC(=O)[C@]12CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]1N(c1ncccn1)CCC2	ZINC001164871362	721207242	/nfs/dbraw/zinc/20/72/42/721207242.db2.gz	YRGFRVJSWRKVNN-WMZHIEFXSA-N	1	1	421.549	1.687	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)C[C@@H]3C2)cn1	ZINC001164762798	721243180	/nfs/dbraw/zinc/24/31/80/721243180.db2.gz	LIZCCQQSDOKNAG-IKGGRYGDSA-N	1	1	418.929	1.990	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@H]43)n2)CC1	ZINC001164879221	721252079	/nfs/dbraw/zinc/25/20/79/721252079.db2.gz	WLJDATURJOJYNN-ZCNNSNEGSA-N	1	1	410.522	1.829	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccnc(Cl)n3)CC2)C1	ZINC001164874165	721259612	/nfs/dbraw/zinc/25/96/12/721259612.db2.gz	JIBFEUIKBRDPBA-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
COC(OC)c1cc(C)cnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164872053	721281028	/nfs/dbraw/zinc/28/10/28/721281028.db2.gz	ABAPEOUYLIQIJM-UHFFFAOYSA-N	1	1	420.554	1.688	20	0		HDADMO
CC(=O)Nc1c(C)ccnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2	ZINC001164873606	721282785	/nfs/dbraw/zinc/28/27/85/721282785.db2.gz	OXWSUQXIPWKPGO-UHFFFAOYSA-N	1	1	403.527	1.355	20	0		HDADMO
CN(C)c1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164889962	721380850	/nfs/dbraw/zinc/38/08/50/721380850.db2.gz	NBBASZFOHYBDKZ-UZLBHIALSA-N	1	1	408.978	1.961	20	0		HDADMO
COC(=O)c1ccc(C)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164894639	721388012	/nfs/dbraw/zinc/38/80/12/721388012.db2.gz	ZKTOCGQAJGLCMC-XMSQKQJNSA-N	1	1	402.539	1.942	20	0		HDADMO
CCOC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164887790	721391137	/nfs/dbraw/zinc/39/11/37/721391137.db2.gz	IJYXRGPUMPFJFA-UTKZUKDTSA-N	1	1	403.527	1.419	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1F	ZINC001164893044	721400442	/nfs/dbraw/zinc/40/04/42/721400442.db2.gz	ZXBBGHJHLUTESU-IIBYNOLFSA-N	1	1	406.502	1.773	20	0		HDADMO
COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1F	ZINC001164893040	721400589	/nfs/dbraw/zinc/40/05/89/721400589.db2.gz	ZXBBGHJHLUTESU-IERDGZPVSA-N	1	1	406.502	1.773	20	0		HDADMO
CCOC(=O)c1cncc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890937	721408530	/nfs/dbraw/zinc/40/85/30/721408530.db2.gz	UMNZFHVTLSXNMK-DYESRHJHSA-N	1	1	403.527	1.419	20	0		HDADMO
CN1c2cnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2N2CCC[C@H]2C1=O	ZINC001164789498	721412069	/nfs/dbraw/zinc/41/20/69/721412069.db2.gz	UPBZSQPLXCIORJ-KFWWJZLASA-N	1	1	411.535	1.447	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc21	ZINC001164889508	721413685	/nfs/dbraw/zinc/41/36/85/721413685.db2.gz	RFELGAUCYPNDJT-XXBNENTESA-N	1	1	411.550	1.699	20	0		HDADMO
CCOC(=O)c1ncnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C	ZINC001164885783	721417620	/nfs/dbraw/zinc/41/76/20/721417620.db2.gz	HJEYPHDIYDFWKE-PGRDOPGGSA-N	1	1	417.554	1.727	20	0		HDADMO
CCOC(=O)Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164888231	721418304	/nfs/dbraw/zinc/41/83/04/721418304.db2.gz	NQTPQWXCALJQAN-SIKLNZKXSA-N	1	1	417.554	1.348	20	0		HDADMO
O=S(=O)(c1cccnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1)N1CCCC1	ZINC001164783659	721418490	/nfs/dbraw/zinc/41/84/90/721418490.db2.gz	JFMCMFOIMWDTCL-HZPDHXFCSA-N	1	1	419.576	1.891	20	0		HDADMO
COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1C	ZINC001164884462	721419905	/nfs/dbraw/zinc/41/99/05/721419905.db2.gz	DHINTFDDAYVTJO-AVRDEDQJSA-N	1	1	402.539	1.942	20	0		HDADMO
CCNC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164891956	721421804	/nfs/dbraw/zinc/42/18/04/721421804.db2.gz	WZEGQKLPENUABL-AVRDEDQJSA-N	1	1	401.555	1.597	20	0		HDADMO
COc1cnc2c(c1)ncnc2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164895432	721428610	/nfs/dbraw/zinc/42/86/10/721428610.db2.gz	PASIBPAHAGOTSZ-HTAPYJJXSA-N	1	1	412.538	1.799	20	0		HDADMO
CCOC(=O)c1nccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164899841	721439086	/nfs/dbraw/zinc/43/90/86/721439086.db2.gz	ZGKZNNCKOCAOPB-UWJYYQICSA-N	1	1	403.527	1.419	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164893670	721442043	/nfs/dbraw/zinc/44/20/43/721442043.db2.gz	JXMLSFRTGJWIBD-FOIQADDNSA-N	1	1	423.945	1.682	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cn1)CC2	ZINC001164787751	721453046	/nfs/dbraw/zinc/45/30/46/721453046.db2.gz	QBYIMDDXVQCPEB-IBGZPJMESA-N	1	1	418.538	1.997	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccnc1C(=O)OC)CC2	ZINC001164787855	721453444	/nfs/dbraw/zinc/45/34/44/721453444.db2.gz	QYAPGKLVFHAZTC-SFHVURJKSA-N	1	1	418.538	1.997	20	0		HDADMO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc[nH]c4nc(=S)sc2-4)CC3)CC1	ZINC001164798485	721517789	/nfs/dbraw/zinc/51/77/89/721517789.db2.gz	UZDPTEALMRURFE-UHFFFAOYSA-N	1	1	402.553	1.339	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C	ZINC001164907131	721536479	/nfs/dbraw/zinc/53/64/79/721536479.db2.gz	MFPLIPYHNLSPRD-UKPHBRMFSA-N	1	1	412.469	1.734	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2N1C	ZINC001164803984	721556740	/nfs/dbraw/zinc/55/67/40/721556740.db2.gz	KKLWYTZTWVNDFE-DQEVTTJGSA-N	1	1	423.521	1.517	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2N1C	ZINC001164803984	721556742	/nfs/dbraw/zinc/55/67/42/721556742.db2.gz	KKLWYTZTWVNDFE-DQEVTTJGSA-N	1	1	423.521	1.517	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@@H]2CCCO[C@@H]21	ZINC001164801219	721562697	/nfs/dbraw/zinc/56/26/97/721562697.db2.gz	GLYNIAYQWBAHOI-FMKPAKJESA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@@H]2CCCO[C@@H]21	ZINC001164801219	721562701	/nfs/dbraw/zinc/56/27/01/721562701.db2.gz	GLYNIAYQWBAHOI-FMKPAKJESA-N	1	1	402.886	1.492	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164806256	721565521	/nfs/dbraw/zinc/56/55/21/721565521.db2.gz	PLNQOUGWGKWPOZ-LNLFQRSKSA-N	1	1	417.535	1.253	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164806256	721565523	/nfs/dbraw/zinc/56/55/23/721565523.db2.gz	PLNQOUGWGKWPOZ-LNLFQRSKSA-N	1	1	417.535	1.253	20	0		HDADMO
CCc1cc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc(N2CCOCC2)[nH+]1	ZINC001165009089	721709129	/nfs/dbraw/zinc/70/91/29/721709129.db2.gz	PCQQLWUAENHMBM-UHFFFAOYSA-N	1	1	414.558	1.718	20	0		HDADMO
Cn1cc(C(=O)N[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)[C@@H]3CCCO[C@@H]32)cn1	ZINC001165013408	721757598	/nfs/dbraw/zinc/75/75/98/721757598.db2.gz	LNGGBBDVLQXKND-QKNQBKEWSA-N	1	1	410.522	1.576	20	0		HDADMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(N)(=O)=O)nn1)C2	ZINC001164912257	721763541	/nfs/dbraw/zinc/76/35/41/721763541.db2.gz	WMLUZLXGTYVZCB-UHFFFAOYSA-N	1	1	414.491	1.307	20	0		HDADMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(N)(=O)=O)nn1)C2	ZINC001164912257	721763548	/nfs/dbraw/zinc/76/35/48/721763548.db2.gz	WMLUZLXGTYVZCB-UHFFFAOYSA-N	1	1	414.491	1.307	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(N)(=O)=O)ccn3)C[C@H]21	ZINC001165024109	721827425	/nfs/dbraw/zinc/82/74/25/721827425.db2.gz	JSWWILXJIMBASI-KFKAGJAMSA-N	1	1	401.536	1.861	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@H]4C3)n2)CC1	ZINC001164932436	721897448	/nfs/dbraw/zinc/89/74/48/721897448.db2.gz	HYICBKVNDIBUHV-BHIYHBOVSA-N	1	1	414.554	1.129	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1	ZINC001165044428	721959609	/nfs/dbraw/zinc/95/96/09/721959609.db2.gz	LBBJOTOBUQPYQX-UHFFFAOYSA-N	1	1	404.536	1.969	20	0		HDADMO
CN(C)S(=O)(=O)N1CC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]2C1	ZINC001164948841	721990130	/nfs/dbraw/zinc/99/01/30/721990130.db2.gz	FJEWTRDZFDITLI-IRXDYDNUSA-N	1	1	423.583	1.119	20	0		HDADMO
CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]21	ZINC001164985228	722098206	/nfs/dbraw/zinc/09/82/06/722098206.db2.gz	VPSYBSZAAPCFJD-SFHLNBCPSA-N	1	1	421.549	1.774	20	0		HDADMO
NC(=O)c1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl	ZINC001164980831	722103298	/nfs/dbraw/zinc/10/32/98/722103298.db2.gz	KOJJHSXZYBTEBN-RDJZCZTQSA-N	1	1	401.898	1.956	20	0		HDADMO
Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCNC2	ZINC001164984764	722104671	/nfs/dbraw/zinc/10/46/71/722104671.db2.gz	UWYFRSXLZVDEJG-QFBILLFUSA-N	1	1	414.941	1.898	20	0		HDADMO
Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCNC2	ZINC001164984764	722104673	/nfs/dbraw/zinc/10/46/73/722104673.db2.gz	UWYFRSXLZVDEJG-QFBILLFUSA-N	1	1	414.941	1.898	20	0		HDADMO
NC(=O)c1ncc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164973108	722110266	/nfs/dbraw/zinc/11/02/66/722110266.db2.gz	GOYWOWTWMYDAQL-LSDHHAIUSA-N	1	1	402.886	1.351	20	0		HDADMO
CC1(C)C(=O)Nc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21	ZINC001164979673	722136959	/nfs/dbraw/zinc/13/69/59/722136959.db2.gz	LSOLBWBAHKUSFN-DLBZAZTESA-N	1	1	408.506	1.829	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164979731	722151784	/nfs/dbraw/zinc/15/17/84/722151784.db2.gz	LVDILHCNFYSZSY-RTBURBONSA-N	1	1	406.494	1.488	20	0		HDADMO
CCOC(=O)c1ccc(C)c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164997093	722229096	/nfs/dbraw/zinc/22/90/96/722229096.db2.gz	PHIRLKSIYXROGW-UHFFFAOYSA-N	1	1	410.522	1.714	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996560	722229562	/nfs/dbraw/zinc/22/95/62/722229562.db2.gz	JQGWCFKRCPERES-UHFFFAOYSA-N	1	1	417.901	1.064	20	0		HDADMO
Cn1ccc2c1nc(Cl)nc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996990	722231625	/nfs/dbraw/zinc/23/16/25/722231625.db2.gz	LMUNXAGCTJGWGF-UHFFFAOYSA-N	1	1	412.929	1.769	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997062	722231830	/nfs/dbraw/zinc/23/18/30/722231830.db2.gz	NJZPTCWCYDJJLG-UHFFFAOYSA-N	1	1	412.494	1.024	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673634022	1073457560	/nfs/dbraw/zinc/45/75/60/1073457560.db2.gz	ZDEPVGSZQWUYBR-SFHVURJKSA-N	1	1	406.494	1.072	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673634022	1073457564	/nfs/dbraw/zinc/45/75/64/1073457564.db2.gz	ZDEPVGSZQWUYBR-SFHVURJKSA-N	1	1	406.494	1.072	20	0		HDADMO
O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000429043965	1073458496	/nfs/dbraw/zinc/45/84/96/1073458496.db2.gz	TWMFSXNFTVPABL-OAQYLSRUSA-N	1	1	415.534	1.524	20	0		HDADMO
CN(CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ncnc2nc[nH]c21	ZINC000429059912	1073494667	/nfs/dbraw/zinc/49/46/67/1073494667.db2.gz	KTJYNKCXTCLUMP-MRXNPFEDSA-N	1	1	411.535	1.523	20	0		HDADMO
CN(CC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ncnc2nc[nH]c21	ZINC000429059912	1073494670	/nfs/dbraw/zinc/49/46/70/1073494670.db2.gz	KTJYNKCXTCLUMP-MRXNPFEDSA-N	1	1	411.535	1.523	20	0		HDADMO
O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000673650063	1073543845	/nfs/dbraw/zinc/54/38/45/1073543845.db2.gz	AERDYGVSKXFLGC-FQEVSTJZSA-N	1	1	401.555	1.307	20	0		HDADMO
O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000673650063	1073543860	/nfs/dbraw/zinc/54/38/60/1073543860.db2.gz	AERDYGVSKXFLGC-FQEVSTJZSA-N	1	1	401.555	1.307	20	0		HDADMO
O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000673650064	1073543901	/nfs/dbraw/zinc/54/39/01/1073543901.db2.gz	AERDYGVSKXFLGC-HXUWFJFHSA-N	1	1	401.555	1.307	20	0		HDADMO
O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000673650064	1073543917	/nfs/dbraw/zinc/54/39/17/1073543917.db2.gz	AERDYGVSKXFLGC-HXUWFJFHSA-N	1	1	401.555	1.307	20	0		HDADMO
O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000671415543	1073566660	/nfs/dbraw/zinc/56/66/60/1073566660.db2.gz	LZSYANNWTAWHGD-IBGZPJMESA-N	1	1	403.498	1.591	20	0		HDADMO
CN(C(=O)c1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1)[C@@H]1CCC[N@@H+](C)C1	ZINC000509124181	1073613770	/nfs/dbraw/zinc/61/37/70/1073613770.db2.gz	QODAKCCMTJGYAQ-MRXNPFEDSA-N	1	1	408.462	1.853	20	0		HDADMO
Cc1cccn2cc(CCNC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)nc12	ZINC000673724915	1073656858	/nfs/dbraw/zinc/65/68/58/1073656858.db2.gz	JQJVBQZZQVZDJZ-LJQANCHMSA-N	1	1	413.522	1.015	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NC)C1	ZINC001545674757	1073659568	/nfs/dbraw/zinc/65/95/68/1073659568.db2.gz	KYSOIMYEWVYMMI-IEBWSBKVSA-N	1	1	413.570	1.957	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn(CC(=O)NC4CCCCC4)c3)CC2)C1	ZINC000673742053	1073676268	/nfs/dbraw/zinc/67/62/68/1073676268.db2.gz	IWQMLVKNRPBLCE-HXUWFJFHSA-N	1	1	416.570	1.184	20	0		HDADMO
Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cn1C	ZINC000673751937	1073685807	/nfs/dbraw/zinc/68/58/07/1073685807.db2.gz	UXCGCLLBSUICJA-MRXNPFEDSA-N	1	1	419.551	1.130	20	0		HDADMO
C[C@H](CCNC(=O)COc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1	ZINC000673756135	1073691326	/nfs/dbraw/zinc/69/13/26/1073691326.db2.gz	MHLZCDBPNDFDPC-MRXNPFEDSA-N	1	1	405.520	1.740	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc(OCC(N)=O)cc1	ZINC000673757290	1073692414	/nfs/dbraw/zinc/69/24/14/1073692414.db2.gz	JIMLZJUKRKUWGJ-IBGZPJMESA-N	1	1	424.545	1.763	20	0		HDADMO
CN(C(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1)C1CCOCC1	ZINC000429124917	1073696141	/nfs/dbraw/zinc/69/61/41/1073696141.db2.gz	XGRKBRUXSXVHOB-LJQANCHMSA-N	1	1	403.527	1.305	20	0		HDADMO
CCN(C(=O)CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000673759022	1073699015	/nfs/dbraw/zinc/69/90/15/1073699015.db2.gz	WKWNKGQOMDUJCB-QUCCMNQESA-N	1	1	407.580	1.618	20	0		HDADMO
CCN(C(=O)CN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000673759022	1073699024	/nfs/dbraw/zinc/69/90/24/1073699024.db2.gz	WKWNKGQOMDUJCB-QUCCMNQESA-N	1	1	407.580	1.618	20	0		HDADMO
C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C[NH+]1CCOCC1	ZINC000509144495	1073720004	/nfs/dbraw/zinc/72/00/04/1073720004.db2.gz	YSQQIECZMRLMHH-LSBZLQRGSA-N	1	1	408.930	1.879	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1Cc2ccccc2O[C@@H](C)C1	ZINC000429142478	1073758560	/nfs/dbraw/zinc/75/85/60/1073758560.db2.gz	NUUBODASEFFMSC-JKSUJKDBSA-N	1	1	417.531	1.664	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1	ZINC000429142478	1073758567	/nfs/dbraw/zinc/75/85/67/1073758567.db2.gz	NUUBODASEFFMSC-JKSUJKDBSA-N	1	1	417.531	1.664	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673816186	1073760850	/nfs/dbraw/zinc/76/08/50/1073760850.db2.gz	KUXDTHLTICEHFM-IBGZPJMESA-N	1	1	408.506	1.149	20	0		HDADMO
CC(C)c1nc(S(=O)(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c[nH]1	ZINC000673819721	1073762823	/nfs/dbraw/zinc/76/28/23/1073762823.db2.gz	VCTVUBIDSIVFNA-UHFFFAOYSA-N	1	1	405.524	1.399	20	0		HDADMO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000673823663	1073767175	/nfs/dbraw/zinc/76/71/75/1073767175.db2.gz	BHBVFTOQESNGJO-INIZCTEOSA-N	1	1	423.560	1.619	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000673823663	1073767188	/nfs/dbraw/zinc/76/71/88/1073767188.db2.gz	BHBVFTOQESNGJO-INIZCTEOSA-N	1	1	423.560	1.619	20	0		HDADMO
CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@@H](C(=O)Nc3ccccn3)C1)n2C	ZINC000673833053	1073800979	/nfs/dbraw/zinc/80/09/79/1073800979.db2.gz	UBEOOJQQXSLMIX-CQSZACIVSA-N	1	1	407.478	1.920	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)C1	ZINC000673840711	1073804424	/nfs/dbraw/zinc/80/44/24/1073804424.db2.gz	PVVYPMNNHZSJNR-KRWDZBQOSA-N	1	1	403.918	1.232	20	0		HDADMO
Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)ccc1-n1cnnn1	ZINC000057261455	1073804517	/nfs/dbraw/zinc/80/45/17/1073804517.db2.gz	WRVCLJJQVGQDDH-LJQANCHMSA-N	1	1	405.462	1.673	20	0		HDADMO
Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)ccc1-n1cnnn1	ZINC000057261455	1073804528	/nfs/dbraw/zinc/80/45/28/1073804528.db2.gz	WRVCLJJQVGQDDH-LJQANCHMSA-N	1	1	405.462	1.673	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)C1	ZINC000673840713	1073804597	/nfs/dbraw/zinc/80/45/97/1073804597.db2.gz	PVVYPMNNHZSJNR-QGZVFWFLSA-N	1	1	403.918	1.232	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc(Br)cc1S(N)(=O)=O	ZINC000673837044	1073811961	/nfs/dbraw/zinc/81/19/61/1073811961.db2.gz	CSSPHHNGPXTNSG-CYBMUJFWSA-N	1	1	416.341	1.619	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CCOCC2)C1=O	ZINC000673849596	1073815202	/nfs/dbraw/zinc/81/52/02/1073815202.db2.gz	DEHBBVKFGASMHG-FPOVZHCZSA-N	1	1	414.550	1.978	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1	ZINC000673872344	1073837938	/nfs/dbraw/zinc/83/79/38/1073837938.db2.gz	FJGJIYBAYHGVHI-NRFANRHFSA-N	1	1	412.538	1.954	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)NCc2csc(N(C)C)n2)cc1)[NH+]1CCOCC1	ZINC000673887833	1073848152	/nfs/dbraw/zinc/84/81/52/1073848152.db2.gz	UUAMIFUDJDDDEY-CQSZACIVSA-N	1	1	417.535	1.857	20	0		HDADMO
CC[C@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000509163666	1073870553	/nfs/dbraw/zinc/87/05/53/1073870553.db2.gz	GBYCRPVNTPTCNS-PMACEKPBSA-N	1	1	418.538	1.166	20	0		HDADMO
CC[C@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000509163666	1073870561	/nfs/dbraw/zinc/87/05/61/1073870561.db2.gz	GBYCRPVNTPTCNS-PMACEKPBSA-N	1	1	418.538	1.166	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1	ZINC000766041460	1073871144	/nfs/dbraw/zinc/87/11/44/1073871144.db2.gz	ALDFDMYSNDICTH-GOSISDBHSA-N	1	1	415.538	1.985	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000673907133	1073874036	/nfs/dbraw/zinc/87/40/36/1073874036.db2.gz	WPQNLXPZEHFOPM-SFHVURJKSA-N	1	1	416.566	1.962	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1	ZINC000673913729	1073880322	/nfs/dbraw/zinc/88/03/22/1073880322.db2.gz	RZJZBUBZLKPAJD-HNAYVOBHSA-N	1	1	402.495	1.593	20	0		HDADMO
C[C@](O)(CNC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C[NH+]1CCOCC1	ZINC000429167042	1073910567	/nfs/dbraw/zinc/91/05/67/1073910567.db2.gz	XZVQLHVYEXCLDE-BVSLBCMMSA-N	1	1	423.529	1.282	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1	ZINC000227535549	1073916880	/nfs/dbraw/zinc/91/68/80/1073916880.db2.gz	DKKXIHUODNDFRV-XLIONFOSSA-N	1	1	421.501	1.519	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1	ZINC000227535549	1073916883	/nfs/dbraw/zinc/91/68/83/1073916883.db2.gz	DKKXIHUODNDFRV-XLIONFOSSA-N	1	1	421.501	1.519	20	0		HDADMO
C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000670432460	1073927237	/nfs/dbraw/zinc/92/72/37/1073927237.db2.gz	SLJWQYKKXPFXND-YSIASYRMSA-N	1	1	403.523	1.013	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)CCO1	ZINC000670432728	1073929328	/nfs/dbraw/zinc/92/93/28/1073929328.db2.gz	PLRSEFFZCHKGCH-INIZCTEOSA-N	1	1	408.930	1.216	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O	ZINC000429174498	1073943447	/nfs/dbraw/zinc/94/34/47/1073943447.db2.gz	YSYZPRPZGDRPGY-JQVVWYNYSA-N	1	1	420.529	1.538	20	0		HDADMO
CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCC[N@H+]2CCCC(C)(C)C2)C1	ZINC001626267885	1073950919	/nfs/dbraw/zinc/95/09/19/1073950919.db2.gz	SAIOUWHPGONDDU-UHFFFAOYSA-N	1	1	406.531	1.922	20	0		HDADMO
C[C@@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@H]1OCCc2sccc21	ZINC000429176605	1073951582	/nfs/dbraw/zinc/95/15/82/1073951582.db2.gz	YDTZOQYFIPLFDO-KZULUSFZSA-N	1	1	419.532	1.919	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC(=O)OCc2ccccc2)CC1=O	ZINC000766044902	1073971631	/nfs/dbraw/zinc/97/16/31/1073971631.db2.gz	NSNKYIYZEAVGLJ-RBUKOAKNSA-N	1	1	401.507	1.569	20	0		HDADMO
CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1	ZINC000543521273	1073985931	/nfs/dbraw/zinc/98/59/31/1073985931.db2.gz	MWFKCRFKZXLEIG-UHFFFAOYSA-N	1	1	401.511	1.483	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1	ZINC000509188465	1074002762	/nfs/dbraw/zinc/00/27/62/1074002762.db2.gz	XQHSEQXXNRWZLT-UHFFFAOYSA-N	1	1	403.527	1.316	20	0		HDADMO
O=C(CCc1ccc(Br)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673990556	1074010240	/nfs/dbraw/zinc/01/02/40/1074010240.db2.gz	HPYKZCIELOJSBU-SFHVURJKSA-N	1	1	410.356	1.904	20	0		HDADMO
C[C@@H](C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)N1CC[NH+](C)CC1	ZINC000543529624	1074020775	/nfs/dbraw/zinc/02/07/75/1074020775.db2.gz	VSBZGPNIQXXIMA-LPHOPBHVSA-N	1	1	400.523	1.577	20	0		HDADMO
CC(C)C[C@H]1C[C@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1	ZINC000509192036	1074025218	/nfs/dbraw/zinc/02/52/18/1074025218.db2.gz	OVQXUTIEJAYRCJ-ICSRJNTNSA-N	1	1	414.550	1.883	20	0		HDADMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000543534039	1074027186	/nfs/dbraw/zinc/02/71/86/1074027186.db2.gz	LKZRTRXLRQBQEG-IXDOHACOSA-N	1	1	415.538	1.633	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)[N@H+]1CCC[C@@H](C)C1	ZINC000543534460	1074033276	/nfs/dbraw/zinc/03/32/76/1074033276.db2.gz	MWQWDWJLGMEHIA-HZPDHXFCSA-N	1	1	401.511	1.387	20	0		HDADMO
O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc2c1OCO2	ZINC000509195854	1074044642	/nfs/dbraw/zinc/04/46/42/1074044642.db2.gz	LPBAOVSQQPIZHO-IAGOWNOFSA-N	1	1	404.488	1.577	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O	ZINC000466595523	1074049496	/nfs/dbraw/zinc/04/94/96/1074049496.db2.gz	IKLHDTQNGXXQML-KURKYZTESA-N	1	1	402.543	1.326	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O	ZINC000466595525	1074049627	/nfs/dbraw/zinc/04/96/27/1074049627.db2.gz	IKLHDTQNGXXQML-SQNIBIBYSA-N	1	1	402.543	1.326	20	0		HDADMO
C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1nc(-c2ccc(Br)cc2)no1	ZINC000543544099	1074057362	/nfs/dbraw/zinc/05/73/62/1074057362.db2.gz	NGZGCAZFNTTXQL-DOMZBBRYSA-N	1	1	411.300	1.843	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1C	ZINC000429202473	1074070759	/nfs/dbraw/zinc/07/07/59/1074070759.db2.gz	FPSANCKOKYQQGT-INIZCTEOSA-N	1	1	412.556	1.556	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1C	ZINC000429202473	1074070768	/nfs/dbraw/zinc/07/07/68/1074070768.db2.gz	FPSANCKOKYQQGT-INIZCTEOSA-N	1	1	412.556	1.556	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccnc(O[C@@H]4CCOC4)c3)cc2)CC1	ZINC000543550451	1074071815	/nfs/dbraw/zinc/07/18/15/1074071815.db2.gz	UUVUABHFGNTYGV-HXUWFJFHSA-N	1	1	424.501	1.818	20	0		HDADMO
COCc1nc2n(n1)C[C@@H](NC(=O)NC1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2	ZINC000466606804	1074076610	/nfs/dbraw/zinc/07/66/10/1074076610.db2.gz	BIYBILPHSUSJNR-INIZCTEOSA-N	1	1	414.514	1.114	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1	ZINC000429202550	1074076631	/nfs/dbraw/zinc/07/66/31/1074076631.db2.gz	ZVYQUDHCQXJKSG-LJQANCHMSA-N	1	1	401.555	1.633	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1	ZINC000674032759	1074092480	/nfs/dbraw/zinc/09/24/80/1074092480.db2.gz	POEFDUXNBPCWPT-UHFFFAOYSA-N	1	1	407.525	1.976	20	0		HDADMO
CCC[C@H]1CCCC[N@H+]1CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000543557251	1074094041	/nfs/dbraw/zinc/09/40/41/1074094041.db2.gz	RLMYVKICVDGBEC-INIZCTEOSA-N	1	1	423.558	1.821	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCCSC3)cc2)CC1	ZINC000674042054	1074120639	/nfs/dbraw/zinc/12/06/39/1074120639.db2.gz	LUZNKLRLKCOELW-QGZVFWFLSA-N	1	1	404.536	1.415	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1	ZINC001545674826	1074131053	/nfs/dbraw/zinc/13/10/53/1074131053.db2.gz	MCMGNPAFVMYDFP-KRWDZBQOSA-N	1	1	414.558	1.456	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC[C@H]1CS(=O)(=O)CCO1	ZINC000509214021	1074152487	/nfs/dbraw/zinc/15/24/87/1074152487.db2.gz	WWMUCYUFGFWNRH-CABCVRRESA-N	1	1	401.554	1.073	20	0		HDADMO
O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccnc(O[C@@H]2CCOC2)c1	ZINC000543579815	1074165632	/nfs/dbraw/zinc/16/56/32/1074165632.db2.gz	QKSZUAWBUSFGPQ-NJDAHSKKSA-N	1	1	411.502	1.862	20	0		HDADMO
Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000674194880	1074209419	/nfs/dbraw/zinc/20/94/19/1074209419.db2.gz	QZRANCPVWCCJJQ-KRWDZBQOSA-N	1	1	412.494	1.222	20	0		HDADMO
O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000674182566	1074216149	/nfs/dbraw/zinc/21/61/49/1074216149.db2.gz	PXHKGLGVENOPNK-FGZHOGPDSA-N	1	1	416.566	1.384	20	0		HDADMO
O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[C@@H](n2ccnc2)C1	ZINC000674203065	1074217582	/nfs/dbraw/zinc/21/75/82/1074217582.db2.gz	ZRDWUQAIMWVZSI-HXUWFJFHSA-N	1	1	411.506	1.560	20	0		HDADMO
CC(=O)N(c1nc(CNCC(=O)N2CC[NH+](C)CC2)cs1)c1ccc(F)cc1	ZINC000674237379	1074236781	/nfs/dbraw/zinc/23/67/81/1074236781.db2.gz	IHSXGVRKGKFFOM-UHFFFAOYSA-N	1	1	405.499	1.830	20	0		HDADMO
C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)N1CCCCC1	ZINC000140846862	1074241396	/nfs/dbraw/zinc/24/13/96/1074241396.db2.gz	ITSWKTFEJKPSDW-IAGOWNOFSA-N	1	1	410.559	1.740	20	0		HDADMO
C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)N1CCCCC1	ZINC000140846862	1074241401	/nfs/dbraw/zinc/24/14/01/1074241401.db2.gz	ITSWKTFEJKPSDW-IAGOWNOFSA-N	1	1	410.559	1.740	20	0		HDADMO
Cc1nn(C)c(=O)c(-c2nc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cs2)c1C	ZINC000674249248	1074242837	/nfs/dbraw/zinc/24/28/37/1074242837.db2.gz	LLXUQOPPGOOMLW-KRWDZBQOSA-N	1	1	403.552	1.817	20	0		HDADMO
CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000674251186	1074243395	/nfs/dbraw/zinc/24/33/95/1074243395.db2.gz	KWFJVFCPKIPANB-NRFANRHFSA-N	1	1	408.550	1.722	20	0		HDADMO
C[N@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000674251186	1074243401	/nfs/dbraw/zinc/24/34/01/1074243401.db2.gz	KWFJVFCPKIPANB-NRFANRHFSA-N	1	1	408.550	1.722	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000674251186	1074243407	/nfs/dbraw/zinc/24/34/07/1074243407.db2.gz	KWFJVFCPKIPANB-NRFANRHFSA-N	1	1	408.550	1.722	20	0		HDADMO
Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)c1	ZINC000485029828	1074244623	/nfs/dbraw/zinc/24/46/23/1074244623.db2.gz	FDYYDKCBAZZRPY-UHFFFAOYSA-N	1	1	400.523	1.753	20	0		HDADMO
CCN(C(=O)[C@H](C)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000674264940	1074246296	/nfs/dbraw/zinc/24/62/96/1074246296.db2.gz	PGXJLZRHNURABR-YSIASYRMSA-N	1	1	407.580	1.617	20	0		HDADMO
CCN(C(=O)[C@H](C)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000674264940	1074246303	/nfs/dbraw/zinc/24/63/03/1074246303.db2.gz	PGXJLZRHNURABR-YSIASYRMSA-N	1	1	407.580	1.617	20	0		HDADMO
C[C@@H](C(=O)Nc1cccc(C(=O)N2CCCN(C(=O)[C@H](C)[NH+](C)C)CC2)c1)N(C)C	ZINC000674287997	1074256615	/nfs/dbraw/zinc/25/66/15/1074256615.db2.gz	KWXVLZLDUDZGDU-IRXDYDNUSA-N	1	1	417.554	1.200	20	0		HDADMO
O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000674298714	1074262840	/nfs/dbraw/zinc/26/28/40/1074262840.db2.gz	BUPNEIHUWRGKSH-LEWJYISDSA-N	1	1	414.550	1.726	20	0		HDADMO
CCN1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1	ZINC000674318913	1074279986	/nfs/dbraw/zinc/27/99/86/1074279986.db2.gz	KVWOJEFYFPWVFH-OAQYLSRUSA-N	1	1	413.566	1.999	20	0		HDADMO
COCCCOc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000674321243	1074281879	/nfs/dbraw/zinc/28/18/79/1074281879.db2.gz	XQSFDWJHDZAZAK-IBGZPJMESA-N	1	1	418.538	1.279	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1	ZINC000674333561	1074287413	/nfs/dbraw/zinc/28/74/13/1074287413.db2.gz	XWBFDJFMQZIRKK-BHIYHBOVSA-N	1	1	408.568	1.763	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CCN2CCCS2(=O)=O)cc1F	ZINC000674428854	1074331447	/nfs/dbraw/zinc/33/14/47/1074331447.db2.gz	LVTWULMMVCTVMS-UHFFFAOYSA-N	1	1	409.487	1.497	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1	ZINC000674434911	1074333357	/nfs/dbraw/zinc/33/33/57/1074333357.db2.gz	NOUSPXAXMJCOCH-VXGBXAGGSA-N	1	1	418.382	1.921	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)CCN2C1=O	ZINC000674469694	1074368306	/nfs/dbraw/zinc/36/83/06/1074368306.db2.gz	JWAMQQVUADGYEH-DZGCQCFKSA-N	1	1	412.284	1.157	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CCN2C1=O	ZINC000674470023	1074368619	/nfs/dbraw/zinc/36/86/19/1074368619.db2.gz	NXMWDMZUZKYFPU-XHDPSFHLSA-N	1	1	402.278	1.701	20	0		HDADMO
CCCN1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc2Cl)CC1	ZINC000140870529	1074385996	/nfs/dbraw/zinc/38/59/96/1074385996.db2.gz	FFXKLUMJGXBANB-UHFFFAOYSA-N	1	1	409.962	1.878	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O	ZINC000674501965	1074397357	/nfs/dbraw/zinc/39/73/57/1074397357.db2.gz	PYLRNHBGRKSZOU-CQSZACIVSA-N	1	1	409.284	1.746	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(c4cc(C)no4)CC2)C3)CC[N@H+]1C	ZINC001005339401	1074406516	/nfs/dbraw/zinc/40/65/16/1074406516.db2.gz	SNGUUOSPSVZEFG-ILOCAZANSA-N	1	1	400.523	1.993	20	0		HDADMO
COc1cc(OC)cc(N2C[C@H](C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC2=O)c1	ZINC000674514144	1074411120	/nfs/dbraw/zinc/41/11/20/1074411120.db2.gz	FAFPRTUAOHZIHB-SJLPKXTDSA-N	1	1	417.506	1.380	20	0		HDADMO
COc1cc(OC)cc(N2C[C@@H](C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC2=O)c1	ZINC000674514145	1074411359	/nfs/dbraw/zinc/41/13/59/1074411359.db2.gz	FAFPRTUAOHZIHB-WMZOPIPTSA-N	1	1	417.506	1.380	20	0		HDADMO
CCS(=O)(=O)Nc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1	ZINC001626101354	1074416989	/nfs/dbraw/zinc/41/69/89/1074416989.db2.gz	NVRSTIKKJFBVHV-UHFFFAOYSA-N	1	1	411.524	1.059	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ncccc1OCC(F)(F)F	ZINC000674516800	1074419207	/nfs/dbraw/zinc/41/92/07/1074419207.db2.gz	WIPFXAJQBNUXIK-AWEZNQCLSA-N	1	1	402.417	1.159	20	0		HDADMO
COc1cc(OC)cc(N2C[C@H](C(=O)NCCCN3CCC[N@@H+](C)CC3)CC2=O)c1	ZINC000674552443	1074434795	/nfs/dbraw/zinc/43/47/95/1074434795.db2.gz	LDFAOQHRQBBBRL-QGZVFWFLSA-N	1	1	418.538	1.201	20	0		HDADMO
COc1cc(OC)cc(N2C[C@H](C(=O)NCCC[N@@H+]3CCCN(C)CC3)CC2=O)c1	ZINC000674552443	1074434800	/nfs/dbraw/zinc/43/48/00/1074434800.db2.gz	LDFAOQHRQBBBRL-QGZVFWFLSA-N	1	1	418.538	1.201	20	0		HDADMO
COc1cc(OC)cc(N2C[C@H](C(=O)NCCC[N@H+]3CCCN(C)CC3)CC2=O)c1	ZINC000674552443	1074434808	/nfs/dbraw/zinc/43/48/08/1074434808.db2.gz	LDFAOQHRQBBBRL-QGZVFWFLSA-N	1	1	418.538	1.201	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000674562665	1074440397	/nfs/dbraw/zinc/44/03/97/1074440397.db2.gz	QIVLKBQLMUYZFM-UHFFFAOYSA-N	1	1	410.540	1.061	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC(OCC(=O)N(C)C)C1	ZINC000674587205	1074467713	/nfs/dbraw/zinc/46/77/13/1074467713.db2.gz	HYXSDHSPJLFXSJ-KRWDZBQOSA-N	1	1	403.523	1.869	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(C[NH+]3CCN(C)CC3)cc1)CC2	ZINC000674612622	1074484235	/nfs/dbraw/zinc/48/42/35/1074484235.db2.gz	DPPQTUAIBAFGEK-UHFFFAOYSA-N	1	1	424.549	1.279	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)CC2	ZINC000674617746	1074487704	/nfs/dbraw/zinc/48/77/04/1074487704.db2.gz	JOVFWIJDORBFRP-UHFFFAOYSA-N	1	1	411.506	1.363	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NCC1(N3CCCCC3)CC[NH+](C)CC1)CC2	ZINC000674634695	1074490209	/nfs/dbraw/zinc/49/02/09/1074490209.db2.gz	VBZGBIJXRFGOGA-UHFFFAOYSA-N	1	1	416.570	1.281	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)[C@@H](C)C1	ZINC000674630376	1074493687	/nfs/dbraw/zinc/49/36/87/1074493687.db2.gz	BLFKZMKPMDDATC-FUHWJXTLSA-N	1	1	405.543	1.468	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCc1ccccc1)[C@@H]1CCOC1	ZINC000674631787	1074496135	/nfs/dbraw/zinc/49/61/35/1074496135.db2.gz	VCDUQJAAQWDQEN-FGZHOGPDSA-N	1	1	416.566	1.436	20	0		HDADMO
C[C@@H](C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674666634	1074513507	/nfs/dbraw/zinc/51/35/07/1074513507.db2.gz	IVKQMCWLJAPTOB-MRXNPFEDSA-N	1	1	421.563	1.206	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674667913	1074519427	/nfs/dbraw/zinc/51/94/27/1074519427.db2.gz	PPIHCTFWBCWTOL-IEBWSBKVSA-N	1	1	407.580	1.822	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CC1	ZINC000674697787	1074527656	/nfs/dbraw/zinc/52/76/56/1074527656.db2.gz	WCYFICUXUOWJFE-UHFFFAOYSA-N	1	1	417.554	1.743	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c1	ZINC000674702540	1074529022	/nfs/dbraw/zinc/52/90/22/1074529022.db2.gz	JWJMSGIWYQDPGX-UHFFFAOYSA-N	1	1	408.543	1.798	20	0		HDADMO
C[NH+](C)CCN(C(=O)CNc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000674703000	1074529076	/nfs/dbraw/zinc/52/90/76/1074529076.db2.gz	APZICMPLWLCRFI-HNNXBMFYSA-N	1	1	407.458	1.695	20	0		HDADMO
CC(C)CN(C(=O)C[N@@H+]1CCCC[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674714139	1074533054	/nfs/dbraw/zinc/53/30/54/1074533054.db2.gz	MWMLFQZXYGKJGN-HNNXBMFYSA-N	1	1	409.531	1.023	20	0		HDADMO
CC(C)CN(C(=O)C[N@H+]1CCCC[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674714139	1074533062	/nfs/dbraw/zinc/53/30/62/1074533062.db2.gz	MWMLFQZXYGKJGN-HNNXBMFYSA-N	1	1	409.531	1.023	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)C[C@@H]1C	ZINC000674714753	1074533886	/nfs/dbraw/zinc/53/38/86/1074533886.db2.gz	AMOQVEQZLCUCBD-YJBOKZPZSA-N	1	1	401.511	1.952	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000674707398	1074535769	/nfs/dbraw/zinc/53/57/69/1074535769.db2.gz	DTIFSHFZOKEEON-GOSISDBHSA-N	1	1	420.554	1.894	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCCO)[C@@H]1CCc2ccccc21	ZINC000674724987	1074541144	/nfs/dbraw/zinc/54/11/44/1074541144.db2.gz	PYZCCIRGMRDFDL-IFMALSPDSA-N	1	1	416.566	1.474	20	0		HDADMO
C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@H](C)O1	ZINC000674732829	1074543210	/nfs/dbraw/zinc/54/32/10/1074543210.db2.gz	RTPPRIQQADZZDH-CALCHBBNSA-N	1	1	411.568	1.398	20	0		HDADMO
CC(C)([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1	ZINC000674753619	1074548165	/nfs/dbraw/zinc/54/81/65/1074548165.db2.gz	DDYCUOLJJSTIKR-SFHVURJKSA-N	1	1	421.563	1.952	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674786012	1074565658	/nfs/dbraw/zinc/56/56/58/1074565658.db2.gz	PRHBPNQVXXQHEC-FUHWJXTLSA-N	1	1	419.551	1.115	20	0		HDADMO
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674786013	1074565681	/nfs/dbraw/zinc/56/56/81/1074565681.db2.gz	PRHBPNQVXXQHEC-SJLPKXTDSA-N	1	1	419.551	1.115	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3c3ncccn3)C2)cc(OC)c1	ZINC000674839026	1074585599	/nfs/dbraw/zinc/58/55/99/1074585599.db2.gz	LOLCYWPJSOVJTF-XLIONFOSSA-N	1	1	411.506	1.853	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3c3ncccn3)C2)cc(OC)c1	ZINC000674839026	1074585606	/nfs/dbraw/zinc/58/56/06/1074585606.db2.gz	LOLCYWPJSOVJTF-XLIONFOSSA-N	1	1	411.506	1.853	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)nn2)cc1	ZINC000674874723	1074594019	/nfs/dbraw/zinc/59/40/19/1074594019.db2.gz	WZBKPCVZIIXZFY-IBGZPJMESA-N	1	1	413.526	1.197	20	0		HDADMO
COc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)sc1S(N)(=O)=O	ZINC000674879140	1074600187	/nfs/dbraw/zinc/60/01/87/1074600187.db2.gz	AIZHQAWIUOPOMS-AWEZNQCLSA-N	1	1	409.533	1.751	20	0		HDADMO
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000674892614	1074608637	/nfs/dbraw/zinc/60/86/37/1074608637.db2.gz	LFBMQXCRIMJBLJ-RHSMWYFYSA-N	1	1	408.449	1.576	20	0		HDADMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC001128871532	1074611857	/nfs/dbraw/zinc/61/18/57/1074611857.db2.gz	PGORYSSGMSNISC-KKSFZXQISA-N	1	1	402.495	1.405	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@H]([C@H]4CCCO4)C3)CC2)cc1	ZINC000674913854	1074611935	/nfs/dbraw/zinc/61/19/35/1074611935.db2.gz	QWMJXFVJWQMVIA-YADHBBJMSA-N	1	1	417.550	1.609	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCO[C@@H]([C@@H]3CCCO3)C2)CC1	ZINC000674914094	1074613167	/nfs/dbraw/zinc/61/31/67/1074613167.db2.gz	XUWAZRMFWJGJLW-FCHUYYIVSA-N	1	1	401.551	1.909	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@H](c2ccccc2)C1	ZINC000674916356	1074613589	/nfs/dbraw/zinc/61/35/89/1074613589.db2.gz	BWRQYYDVNPGMMO-BDTNDASRSA-N	1	1	416.566	1.955	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@H](c2ccccc2)C1	ZINC000674916356	1074613594	/nfs/dbraw/zinc/61/35/94/1074613594.db2.gz	BWRQYYDVNPGMMO-BDTNDASRSA-N	1	1	416.566	1.955	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@H](c2ccccc2)C1	ZINC000674916356	1074613601	/nfs/dbraw/zinc/61/36/01/1074613601.db2.gz	BWRQYYDVNPGMMO-BDTNDASRSA-N	1	1	416.566	1.955	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1	ZINC000674907081	1074614660	/nfs/dbraw/zinc/61/46/60/1074614660.db2.gz	RGDRXBPWKHRLRG-FHWLQOOXSA-N	1	1	402.495	1.548	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1	ZINC000674907081	1074614663	/nfs/dbraw/zinc/61/46/63/1074614663.db2.gz	RGDRXBPWKHRLRG-FHWLQOOXSA-N	1	1	402.495	1.548	20	0		HDADMO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000674910303	1074615678	/nfs/dbraw/zinc/61/56/78/1074615678.db2.gz	KMNDDOGLLWQXBR-BVYCBKJFSA-N	1	1	417.550	1.403	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000674922705	1074623160	/nfs/dbraw/zinc/62/31/60/1074623160.db2.gz	GZXGGGSSRVBWLA-VQTJNVASSA-N	1	1	403.527	1.183	20	0		HDADMO
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1	ZINC000674981018	1074657599	/nfs/dbraw/zinc/65/75/99/1074657599.db2.gz	WRONMHNXRVWMBX-YLJYHZDGSA-N	1	1	412.538	1.803	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)C(=O)Nc3nnc(C(C)(C)C)s3)CC2)nc(C)[nH+]1	ZINC000493898980	1074672601	/nfs/dbraw/zinc/67/26/01/1074672601.db2.gz	AOFDASIUJCYYDR-UHFFFAOYSA-N	1	1	417.539	1.966	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1	ZINC000674997676	1074675146	/nfs/dbraw/zinc/67/51/46/1074675146.db2.gz	PFLBRPCSYXFPKV-RBUKOAKNSA-N	1	1	401.555	1.695	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000429312298	1074681941	/nfs/dbraw/zinc/68/19/41/1074681941.db2.gz	SEMFYJIZEDBUNV-DLBZAZTESA-N	1	1	404.511	1.013	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O	ZINC000675002471	1074683315	/nfs/dbraw/zinc/68/33/15/1074683315.db2.gz	FDTZKHHKHPNGQH-ZWKOTPCHSA-N	1	1	415.538	1.222	20	0		HDADMO
C[N@H+]1CC[C@H](Cn2nnnc2Sc2ncc(I)cn2)C1	ZINC000766088475	1074694628	/nfs/dbraw/zinc/69/46/28/1074694628.db2.gz	RJZRPMGFRBUHQF-QMMMGPOBSA-N	1	1	403.253	1.171	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000675086188	1074702317	/nfs/dbraw/zinc/70/23/17/1074702317.db2.gz	PQDZUKVVFJQUSS-GDZNZVCISA-N	1	1	412.893	1.009	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000675086188	1074702323	/nfs/dbraw/zinc/70/23/23/1074702323.db2.gz	PQDZUKVVFJQUSS-GDZNZVCISA-N	1	1	412.893	1.009	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)nn1-c1ccc(C)cc1	ZINC000539478159	1074714399	/nfs/dbraw/zinc/71/43/99/1074714399.db2.gz	BRDVGVZSVXPEOJ-UHFFFAOYSA-N	1	1	411.506	1.751	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C[N@H+]1Cc1ccccc1	ZINC000675102628	1074718675	/nfs/dbraw/zinc/71/86/75/1074718675.db2.gz	KILNMTZCXQUCGP-WMLDXEAASA-N	1	1	420.510	1.935	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000804218244	1074719116	/nfs/dbraw/zinc/71/91/16/1074719116.db2.gz	QTGDUHIXESWDAP-XLAORIBOSA-N	1	1	424.586	1.985	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)CCN2C1=O	ZINC000675105510	1074721047	/nfs/dbraw/zinc/72/10/47/1074721047.db2.gz	OWDCDMSNNHYAJS-VYDXJSESSA-N	1	1	419.551	1.809	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)s1	ZINC000522992501	1074723373	/nfs/dbraw/zinc/72/33/73/1074723373.db2.gz	BSSGTADHYRIAFP-UHFFFAOYSA-N	1	1	418.523	1.587	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccnc(C(=O)N4CCN(C)CC4)c3)CC2)c1	ZINC000543613813	1074731616	/nfs/dbraw/zinc/73/16/16/1074731616.db2.gz	OHXGBBAMRULMIB-UHFFFAOYSA-N	1	1	423.521	1.527	20	0		HDADMO
O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	ZINC000766092601	1074734444	/nfs/dbraw/zinc/73/44/44/1074734444.db2.gz	BPZXORANZSXTJJ-NSHDSACASA-N	1	1	404.383	1.421	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc([C@@H](C)[NH+]4CCOCC4)cc3)CCN2C1=O	ZINC000675140148	1074740491	/nfs/dbraw/zinc/74/04/91/1074740491.db2.gz	HJVUMQCSOLPTIQ-QAPCUYQASA-N	1	1	415.494	1.580	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)nn1-c1ccccc1Cl	ZINC000539642197	1074746688	/nfs/dbraw/zinc/74/66/88/1074746688.db2.gz	OOUADNISPICNJY-UHFFFAOYSA-N	1	1	407.927	1.938	20	0		HDADMO
COC(=O)c1ccc2c(c1)nc(C)n(C[C@@H](O)C[N@H+]1CCc3ccccc3C1)c2=O	ZINC000142680314	1074749609	/nfs/dbraw/zinc/74/96/09/1074749609.db2.gz	WALQVFCKSWYDJX-IBGZPJMESA-N	1	1	407.470	1.911	20	0		HDADMO
Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675188289	1074752159	/nfs/dbraw/zinc/75/21/59/1074752159.db2.gz	JJKLZSFFYMNHMF-PKOBYXMFSA-N	1	1	408.506	1.447	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)CC[C@H]21	ZINC000766097533	1074753719	/nfs/dbraw/zinc/75/37/19/1074753719.db2.gz	MGBQSUUGHZLJAF-ODCSTRKQSA-N	1	1	424.545	1.732	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@@H]21	ZINC000766098471	1074765055	/nfs/dbraw/zinc/76/50/55/1074765055.db2.gz	QZTICIXHHQPZLW-YOEHRIQHSA-N	1	1	403.504	1.550	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000675252139	1074769342	/nfs/dbraw/zinc/76/93/42/1074769342.db2.gz	SZWBPZYRZGPWEM-YJYMSZOUSA-N	1	1	417.535	1.491	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000675252139	1074769353	/nfs/dbraw/zinc/76/93/53/1074769353.db2.gz	SZWBPZYRZGPWEM-YJYMSZOUSA-N	1	1	417.535	1.491	20	0		HDADMO
CCc1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2CC)cc1S(=O)(=O)N1CCOCC1	ZINC001128974103	1074774751	/nfs/dbraw/zinc/77/47/51/1074774751.db2.gz	CXSIHABXFSRFQZ-IBGZPJMESA-N	1	1	423.579	1.826	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1	ZINC000429243987	1074778759	/nfs/dbraw/zinc/77/87/59/1074778759.db2.gz	CYRNMAYIJPWAQW-RHSMWYFYSA-N	1	1	407.536	1.360	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1	ZINC000429243987	1074778766	/nfs/dbraw/zinc/77/87/66/1074778766.db2.gz	CYRNMAYIJPWAQW-RHSMWYFYSA-N	1	1	407.536	1.360	20	0		HDADMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1	ZINC000675306992	1074795531	/nfs/dbraw/zinc/79/55/31/1074795531.db2.gz	DENOHTBDUUCUAJ-YJBOKZPZSA-N	1	1	420.941	1.798	20	0		HDADMO
CCC1(CNC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)CCCC1	ZINC000434818546	1074805716	/nfs/dbraw/zinc/80/57/16/1074805716.db2.gz	CTASPUBESLNQNS-UHFFFAOYSA-N	1	1	414.510	2.372	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@@H+]1C	ZINC000675338439	1074806164	/nfs/dbraw/zinc/80/61/64/1074806164.db2.gz	WXIUYBFKRCZZQG-SJORKVTESA-N	1	1	406.914	1.360	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@H+]1C	ZINC000675338439	1074806169	/nfs/dbraw/zinc/80/61/69/1074806169.db2.gz	WXIUYBFKRCZZQG-SJORKVTESA-N	1	1	406.914	1.360	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)CC1(C)OCCO1	ZINC000785482135	1074817044	/nfs/dbraw/zinc/81/70/44/1074817044.db2.gz	UDLUQUFSWRQQKN-QGZVFWFLSA-N	1	1	419.522	1.040	20	0		HDADMO
CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2S1(=O)=O	ZINC000766114365	1074821300	/nfs/dbraw/zinc/82/13/00/1074821300.db2.gz	SSXWCZHEJRXIRM-WBVHZDCISA-N	1	1	405.520	1.796	20	0		HDADMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1	ZINC000521292501	1075096974	/nfs/dbraw/zinc/09/69/74/1075096974.db2.gz	QBPFYAOKUXMADB-GOSISDBHSA-N	1	1	420.558	1.903	20	0		HDADMO
COC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)nn1	ZINC000619627661	1075097170	/nfs/dbraw/zinc/09/71/70/1075097170.db2.gz	DPOYFVGHNPNWHC-CQSZACIVSA-N	1	1	415.450	1.676	20	0		HDADMO
COC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)nn1	ZINC000619627661	1075097173	/nfs/dbraw/zinc/09/71/73/1075097173.db2.gz	DPOYFVGHNPNWHC-CQSZACIVSA-N	1	1	415.450	1.676	20	0		HDADMO
Cc1noc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)n1	ZINC000509324827	1075101061	/nfs/dbraw/zinc/10/10/61/1075101061.db2.gz	SGWUYFWWFXHAIW-GOSISDBHSA-N	1	1	413.478	1.555	20	0		HDADMO
COC(=O)c1cn(C2CCN(C(=O)NCCCNc3ccc(C)c[nH+]3)CC2)nn1	ZINC000548444824	1075105695	/nfs/dbraw/zinc/10/56/95/1075105695.db2.gz	CUTXEMWRMFZJFH-UHFFFAOYSA-N	1	1	401.471	1.617	20	0		HDADMO
CN(C)C(=O)Cn1cc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1	ZINC000429337903	1075115406	/nfs/dbraw/zinc/11/54/06/1075115406.db2.gz	ZTVCOTGWSQMAMI-OAQYLSRUSA-N	1	1	414.510	1.072	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000429249636	1075118373	/nfs/dbraw/zinc/11/83/73/1075118373.db2.gz	SQIFOQHJGPENAF-OAHLLOKOSA-N	1	1	407.540	1.832	20	0		HDADMO
CN(C(=O)C[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1	ZINC000041623624	1075118543	/nfs/dbraw/zinc/11/85/43/1075118543.db2.gz	NCHUHNQFWIQXCM-UHFFFAOYSA-N	1	1	401.555	1.843	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(OCC(N)=O)cc2)CC1	ZINC000041667565	1075121053	/nfs/dbraw/zinc/12/10/53/1075121053.db2.gz	GMZWQLXGSFGVKR-UHFFFAOYSA-N	1	1	410.518	1.618	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc(F)ccc3OC(F)F)CC2)C1	ZINC000675404671	1075129622	/nfs/dbraw/zinc/12/96/22/1075129622.db2.gz	UWPSGJUHGMXBMN-AWEZNQCLSA-N	1	1	414.428	1.604	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1	ZINC000675405755	1075130582	/nfs/dbraw/zinc/13/05/82/1075130582.db2.gz	GOOUYAATCLHLMA-MSOLQXFVSA-N	1	1	411.506	1.612	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)C[C@H]3CCOC3)cc2)CC1	ZINC000675406066	1075130611	/nfs/dbraw/zinc/13/06/11/1075130611.db2.gz	ASCHKROQFFRARC-IAGOWNOFSA-N	1	1	416.522	1.334	20	0		HDADMO
O=C(CCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1	ZINC000509334486	1075136639	/nfs/dbraw/zinc/13/66/39/1075136639.db2.gz	LJYDXFQKDKJHKS-IBGZPJMESA-N	1	1	413.440	1.806	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC3(CC2)OCc2ccccc23)CC1	ZINC000675422935	1075139230	/nfs/dbraw/zinc/13/92/30/1075139230.db2.gz	OZUHGOIYMJZLIG-UHFFFAOYSA-N	1	1	400.523	1.770	20	0		HDADMO
COCCOC[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1	ZINC000670525515	1075147499	/nfs/dbraw/zinc/14/74/99/1075147499.db2.gz	DFYRJGIABHWRLB-ROUUACIJSA-N	1	1	407.511	1.434	20	0		HDADMO
CC(C)C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1	ZINC000670526666	1075148221	/nfs/dbraw/zinc/14/82/21/1075148221.db2.gz	LVBMVSSHXHCPNB-OALUTQOASA-N	1	1	409.571	1.848	20	0		HDADMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1	ZINC000670527115	1075151120	/nfs/dbraw/zinc/15/11/20/1075151120.db2.gz	ZDNZGPAJEFPBKU-RBUKOAKNSA-N	1	1	406.571	1.080	20	0		HDADMO
Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000543627802	1075151636	/nfs/dbraw/zinc/15/16/36/1075151636.db2.gz	HESLCCGGVMFYEW-GJZGRUSLSA-N	1	1	417.574	1.643	20	0		HDADMO
O=C(Cn1nnc(-c2ccccc2)n1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429346065	1075152613	/nfs/dbraw/zinc/15/26/13/1075152613.db2.gz	PDTQPPKGFKBSJL-HXUWFJFHSA-N	1	1	406.490	1.747	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H](C(F)(F)F)O1	ZINC000670527005	1075154807	/nfs/dbraw/zinc/15/48/07/1075154807.db2.gz	FXDHMMUSLBLNRP-LSDHHAIUSA-N	1	1	421.460	1.316	20	0		HDADMO
O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000429348401	1075160049	/nfs/dbraw/zinc/16/00/49/1075160049.db2.gz	JSSMICQWHFHXCV-OALUTQOASA-N	1	1	423.517	1.924	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCc3cc(C(N)=O)co3)cc2)CC1	ZINC000429348152	1075161461	/nfs/dbraw/zinc/16/14/61/1075161461.db2.gz	VZKDBRLGGZIXSO-UHFFFAOYSA-N	1	1	413.478	1.407	20	0		HDADMO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2O1	ZINC000675470029	1075164691	/nfs/dbraw/zinc/16/46/91/1075164691.db2.gz	AVVGGVIKZWQRCG-CQSZACIVSA-N	1	1	410.517	1.608	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C[N@H+]1Cc1ccccc1	ZINC000466681497	1075167990	/nfs/dbraw/zinc/16/79/90/1075167990.db2.gz	GLDMTNFUPVGBAC-PKOBYXMFSA-N	1	1	423.517	1.636	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2ccnn2)C[N@H+]1Cc1ccccc1	ZINC000466681945	1075169616	/nfs/dbraw/zinc/16/96/16/1075169616.db2.gz	VGZTZVDZLPMRMU-AEFFLSMTSA-N	1	1	404.474	1.985	20	0		HDADMO
O=C(C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000675491653	1075176362	/nfs/dbraw/zinc/17/63/62/1075176362.db2.gz	SRGKYGATZOCBRK-HZPDHXFCSA-N	1	1	407.453	1.808	20	0		HDADMO
COCCOCc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1	ZINC000578050266	1075182897	/nfs/dbraw/zinc/18/28/97/1075182897.db2.gz	UYKHIBWDHZEBFD-UHFFFAOYSA-N	1	1	402.495	1.902	20	0		HDADMO
C[C@H](C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)n1nnnc1C(C)(C)C	ZINC000543632515	1075183182	/nfs/dbraw/zinc/18/31/82/1075183182.db2.gz	WRXDMFULYUZTKU-OAHLLOKOSA-N	1	1	413.526	1.236	20	0		HDADMO
Cc1nn(C)c2nc(C)c(CC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)c(C)c12	ZINC000675518934	1075185021	/nfs/dbraw/zinc/18/50/21/1075185021.db2.gz	JRWDNOWXRXLEIV-UHFFFAOYSA-N	1	1	400.527	1.059	20	0		HDADMO
CC[C@@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500869	1075185504	/nfs/dbraw/zinc/18/55/04/1075185504.db2.gz	OSGUQPCASRYBIE-UXHICEINSA-N	1	1	402.539	1.930	20	0		HDADMO
CC[C@@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500869	1075185507	/nfs/dbraw/zinc/18/55/07/1075185507.db2.gz	OSGUQPCASRYBIE-UXHICEINSA-N	1	1	402.539	1.930	20	0		HDADMO
COc1ccc(CN2CCCN(C(=O)CN3CCN(c4cc[nH+]cc4)CC3)CC2)cc1	ZINC000675500493	1075185620	/nfs/dbraw/zinc/18/56/20/1075185620.db2.gz	VVCZSMYVCSYAFS-UHFFFAOYSA-N	1	1	423.561	1.947	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1	ZINC000675532052	1075192476	/nfs/dbraw/zinc/19/24/76/1075192476.db2.gz	VNVLIHGQURTOOQ-UHFFFAOYSA-N	1	1	422.551	1.505	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)cc2)CC1	ZINC000675531824	1075192785	/nfs/dbraw/zinc/19/27/85/1075192785.db2.gz	OOHPRWPBLXKUNS-OALUTQOASA-N	1	1	413.522	1.739	20	0		HDADMO
O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000469111213	1075194550	/nfs/dbraw/zinc/19/45/50/1075194550.db2.gz	ROMUAXJFTDFQIG-IBGZPJMESA-N	1	1	410.522	1.840	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1)[NH+]1CCOCC1	ZINC000675539322	1075195614	/nfs/dbraw/zinc/19/56/14/1075195614.db2.gz	GTQBIIHQLPGUHV-KRWDZBQOSA-N	1	1	403.527	1.318	20	0		HDADMO
CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C(=O)Nc2noc(C)c2C)CC1	ZINC000568422904	1075195780	/nfs/dbraw/zinc/19/57/80/1075195780.db2.gz	ZQPFJBVKURYOMO-UHFFFAOYSA-N	1	1	408.499	1.885	20	0		HDADMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C(=O)Nc2noc(C)c2C)CC1	ZINC000568422904	1075195783	/nfs/dbraw/zinc/19/57/83/1075195783.db2.gz	ZQPFJBVKURYOMO-UHFFFAOYSA-N	1	1	408.499	1.885	20	0		HDADMO
O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000504584596	1075203426	/nfs/dbraw/zinc/20/34/26/1075203426.db2.gz	CSSIDUUTPXBINF-LJQANCHMSA-N	1	1	404.474	1.656	20	0		HDADMO
O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000504584591	1075203780	/nfs/dbraw/zinc/20/37/80/1075203780.db2.gz	CSSIDUUTPXBINF-IBGZPJMESA-N	1	1	404.474	1.656	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCN1CCCS1(=O)=O	ZINC000675545564	1075205967	/nfs/dbraw/zinc/20/59/67/1075205967.db2.gz	DUTHWJPTNHCSJB-RUYXUALKSA-N	1	1	422.595	1.820	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1	ZINC000440886858	1075208242	/nfs/dbraw/zinc/20/82/42/1075208242.db2.gz	KZWDHHKNIXDTCF-YRWFTTLQSA-N	1	1	413.522	1.741	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	ZINC000675570996	1075208397	/nfs/dbraw/zinc/20/83/97/1075208397.db2.gz	GYHIBVRRAGUVTA-UHFFFAOYSA-N	1	1	405.886	1.555	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1=O	ZINC000675572763	1075208938	/nfs/dbraw/zinc/20/89/38/1075208938.db2.gz	CLAAAUDLECXIPV-GUDVDZBRSA-N	1	1	404.555	1.227	20	0		HDADMO
CN(C(=O)NCC1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675575328	1075209391	/nfs/dbraw/zinc/20/93/91/1075209391.db2.gz	OKBXFJZBJKMMSR-IBGZPJMESA-N	1	1	408.568	1.574	20	0		HDADMO
CN(C(=O)NCC1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675575331	1075209680	/nfs/dbraw/zinc/20/96/80/1075209680.db2.gz	OKBXFJZBJKMMSR-LJQANCHMSA-N	1	1	408.568	1.574	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675580738	1075211971	/nfs/dbraw/zinc/21/19/71/1075211971.db2.gz	SDWQBMNZJONDDX-PMACEKPBSA-N	1	1	405.587	1.589	20	0		HDADMO
O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675582082	1075212522	/nfs/dbraw/zinc/21/25/22/1075212522.db2.gz	SMDPWMVEEZGVKC-OFNKIYASSA-N	1	1	414.550	1.714	20	0		HDADMO
CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)n(-c2ccccc2)n1)CCC(F)(F)F	ZINC000426458859	1075213783	/nfs/dbraw/zinc/21/37/83/1075213783.db2.gz	JGIHPMHHTPFUJG-UHFFFAOYSA-N	1	1	411.428	2.510	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)n(-c2ccccc2)n1)CCC(F)(F)F	ZINC000426458859	1075213787	/nfs/dbraw/zinc/21/37/87/1075213787.db2.gz	JGIHPMHHTPFUJG-UHFFFAOYSA-N	1	1	411.428	2.510	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000675584579	1075214525	/nfs/dbraw/zinc/21/45/25/1075214525.db2.gz	BYFASJXXIXCNIN-QZTJIDSGSA-N	1	1	415.494	1.937	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1	ZINC000675586637	1075217576	/nfs/dbraw/zinc/21/75/76/1075217576.db2.gz	WVUIUMWNSMAVFE-SCTDSRPQSA-N	1	1	405.543	1.875	20	0		HDADMO
CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675606910	1075223815	/nfs/dbraw/zinc/22/38/15/1075223815.db2.gz	BCKIMYOMYRTXDM-QGZVFWFLSA-N	1	1	403.504	1.446	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)no1	ZINC000461561216	1075225131	/nfs/dbraw/zinc/22/51/31/1075225131.db2.gz	MMEXSARTNCPXFN-JKSUJKDBSA-N	1	1	424.567	2.193	20	0		HDADMO
C[N@@H+](CCN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1)Cc1ccccc1	ZINC000675592207	1075229622	/nfs/dbraw/zinc/22/96/22/1075229622.db2.gz	DRYNIYOPHMRILD-UHFFFAOYSA-N	1	1	424.549	1.508	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1	ZINC000675594402	1075231596	/nfs/dbraw/zinc/23/15/96/1075231596.db2.gz	HOYJSCNOKCUDJP-YVWKXTFCSA-N	1	1	411.506	1.952	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)cc2)CC1	ZINC000581362925	1075232503	/nfs/dbraw/zinc/23/25/03/1075232503.db2.gz	RPASNUWXICXFKZ-UHFFFAOYSA-N	1	1	424.549	1.690	20	0		HDADMO
CCOc1ccc(Cl)cc1CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000675599265	1075236586	/nfs/dbraw/zinc/23/65/86/1075236586.db2.gz	IGKDUEKYTINSET-UHFFFAOYSA-N	1	1	423.941	1.721	20	0		HDADMO
C[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[N@H+](C2CCC2)C1	ZINC000429365029	1075237256	/nfs/dbraw/zinc/23/72/56/1075237256.db2.gz	HNTDGWATDPCAIT-QGZVFWFLSA-N	1	1	422.595	1.189	20	0		HDADMO
C[C@H]1CN(C2CCC2)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000429365029	1075237261	/nfs/dbraw/zinc/23/72/61/1075237261.db2.gz	HNTDGWATDPCAIT-QGZVFWFLSA-N	1	1	422.595	1.189	20	0		HDADMO
C[C@H]1CN(C2CCC2)CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000429365029	1075237264	/nfs/dbraw/zinc/23/72/64/1075237264.db2.gz	HNTDGWATDPCAIT-QGZVFWFLSA-N	1	1	422.595	1.189	20	0		HDADMO
C[C@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[N@H+](C2CCC2)C1	ZINC000429365027	1075237309	/nfs/dbraw/zinc/23/73/09/1075237309.db2.gz	HNTDGWATDPCAIT-KRWDZBQOSA-N	1	1	422.595	1.189	20	0		HDADMO
C[C@@H]1CN(C2CCC2)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000429365027	1075237313	/nfs/dbraw/zinc/23/73/13/1075237313.db2.gz	HNTDGWATDPCAIT-KRWDZBQOSA-N	1	1	422.595	1.189	20	0		HDADMO
C[C@@H]1CN(C2CCC2)CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000429365027	1075237316	/nfs/dbraw/zinc/23/73/16/1075237316.db2.gz	HNTDGWATDPCAIT-KRWDZBQOSA-N	1	1	422.595	1.189	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)C1	ZINC000429366863	1075242249	/nfs/dbraw/zinc/24/22/49/1075242249.db2.gz	MJGFLGZGFOGAJF-CEXWTWQISA-N	1	1	410.603	1.427	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)C1	ZINC000429366867	1075242260	/nfs/dbraw/zinc/24/22/60/1075242260.db2.gz	MJGFLGZGFOGAJF-GBESFXJTSA-N	1	1	410.603	1.427	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1	ZINC000426549498	1075244302	/nfs/dbraw/zinc/24/43/02/1075244302.db2.gz	RRKXGMQESMGBHI-BZSNNMDCSA-N	1	1	405.543	2.142	20	0		HDADMO
COCCn1ccc(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)n1	ZINC001129033736	1075249526	/nfs/dbraw/zinc/24/95/26/1075249526.db2.gz	GZGHQIOGHAZSAN-UHFFFAOYSA-N	1	1	423.315	1.691	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(F)cn3)cc2)CC1	ZINC000675702617	1075256585	/nfs/dbraw/zinc/25/65/85/1075256585.db2.gz	DLOHXLRKKCJJHE-UHFFFAOYSA-N	1	1	413.453	1.253	20	0		HDADMO
CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C	ZINC000429373276	1075257340	/nfs/dbraw/zinc/25/73/40/1075257340.db2.gz	QXBCHPVBYVFBMB-LPHOPBHVSA-N	1	1	409.552	1.732	20	0		HDADMO
CN(C(=O)COCC(=O)NCc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000470674065	1075257660	/nfs/dbraw/zinc/25/76/60/1075257660.db2.gz	SIIJEDYFHCBSRH-NRFANRHFSA-N	1	1	410.518	1.837	20	0		HDADMO
C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000509364413	1075262521	/nfs/dbraw/zinc/26/25/21/1075262521.db2.gz	JDMSSZYMTIOPND-INIZCTEOSA-N	1	1	402.539	1.883	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)C1	ZINC000675756730	1075265250	/nfs/dbraw/zinc/26/52/50/1075265250.db2.gz	SQIMNHDHPLBKAO-KRWDZBQOSA-N	1	1	416.385	1.991	20	0		HDADMO
C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000675742718	1075267121	/nfs/dbraw/zinc/26/71/21/1075267121.db2.gz	VTBLRPKQQNRPKH-GOSISDBHSA-N	1	1	424.611	1.384	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCCOc2ccc3c(c2)OCO3)CC1	ZINC000675777603	1075269694	/nfs/dbraw/zinc/26/96/94/1075269694.db2.gz	ZNQBNXBKYKZVSE-QGZVFWFLSA-N	1	1	403.479	1.515	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000675786722	1075271517	/nfs/dbraw/zinc/27/15/17/1075271517.db2.gz	ZSFZWDZAQSYGMP-LJQANCHMSA-N	1	1	402.539	1.342	20	0		HDADMO
O=C(CNC(=O)c1ccncc1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000675808434	1075274466	/nfs/dbraw/zinc/27/44/66/1075274466.db2.gz	CSFLLPNUGAEWLU-UHFFFAOYSA-N	1	1	401.898	1.403	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466697456	1075277224	/nfs/dbraw/zinc/27/72/24/1075277224.db2.gz	QXBCMYXUZOVTTI-PBHICJAKSA-N	1	1	416.503	1.052	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000675825466	1075279006	/nfs/dbraw/zinc/27/90/06/1075279006.db2.gz	SIHODKFCOOXCDV-INIZCTEOSA-N	1	1	410.540	1.195	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC(C)(C)C(C)(C)C)n2)c1C	ZINC000556605321	1075279091	/nfs/dbraw/zinc/27/90/91/1075279091.db2.gz	YHJPMOLWFOMGTB-UHFFFAOYSA-N	1	1	402.499	2.226	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O	ZINC000675826656	1075279051	/nfs/dbraw/zinc/27/90/51/1075279051.db2.gz	PLNRNUONQRNORJ-ZWKOTPCHSA-N	1	1	407.559	1.162	20	0		HDADMO
COc1cccc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CCO2)c1	ZINC000675827279	1075279391	/nfs/dbraw/zinc/27/93/91/1075279391.db2.gz	ZBKCMKXFNUAOHL-CTNGQTDRSA-N	1	1	418.538	1.185	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@@H]3CCC[C@H]3C)n2)c1C	ZINC000440133500	1075279910	/nfs/dbraw/zinc/27/99/10/1075279910.db2.gz	KUBQIUOQTYDXSC-DOMZBBRYSA-N	1	1	400.483	1.838	20	0		HDADMO
O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001129103338	1075283359	/nfs/dbraw/zinc/28/33/59/1075283359.db2.gz	KOSQEGIPFIZMFV-UHZRXMQZSA-N	1	1	403.527	1.251	20	0		HDADMO
O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001129103338	1075283368	/nfs/dbraw/zinc/28/33/68/1075283368.db2.gz	KOSQEGIPFIZMFV-UHZRXMQZSA-N	1	1	403.527	1.251	20	0		HDADMO
CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)C[C@H]2C)CC1	ZINC000675870185	1075285824	/nfs/dbraw/zinc/28/58/24/1075285824.db2.gz	YMPUBBPJRXRUHM-POAQFYNOSA-N	1	1	418.538	1.435	20	0		HDADMO
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000675895871	1075287688	/nfs/dbraw/zinc/28/76/88/1075287688.db2.gz	JQITYTYARQRXDD-XUVXKRRUSA-N	1	1	405.564	1.924	20	0		HDADMO
Cc1nn(C)c2nc(C)c(CC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c(C)c12	ZINC000675917951	1075291751	/nfs/dbraw/zinc/29/17/51/1075291751.db2.gz	JZIAAJFKJPQEBO-SFHVURJKSA-N	1	1	412.538	1.201	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)CC1	ZINC001035207748	1075293535	/nfs/dbraw/zinc/29/35/35/1075293535.db2.gz	FXBMYVOBYFAVNN-SIFVSHMBSA-N	1	1	401.551	1.641	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)C2)nc(C)[nH+]1	ZINC000731292780	1075303448	/nfs/dbraw/zinc/30/34/48/1075303448.db2.gz	GJQPDARFCDJJPC-MJGOQNOKSA-N	1	1	422.489	1.726	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CCn3nnc4ccccc4c3=O)C2)nc(C)[nH+]1	ZINC000731292302	1075304051	/nfs/dbraw/zinc/30/40/51/1075304051.db2.gz	DLHWYHHCXVLZLE-INIZCTEOSA-N	1	1	408.462	1.801	20	0		HDADMO
CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)CC1	ZINC000675970317	1075312664	/nfs/dbraw/zinc/31/26/64/1075312664.db2.gz	NUXLMLMTFMJCTF-UHFFFAOYSA-N	1	1	417.554	1.052	20	0		HDADMO
COC(=O)Nc1cccc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1	ZINC000731351066	1075313930	/nfs/dbraw/zinc/31/39/30/1075313930.db2.gz	KCZZZKVMDIFQBL-UHFFFAOYSA-N	1	1	402.495	1.881	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(C)Cc4ccccc4C(=O)O3)CC2)CC1	ZINC000731350934	1075314295	/nfs/dbraw/zinc/31/42/95/1075314295.db2.gz	GJOLHKHZYZOBLT-QHCPKHFHSA-N	1	1	413.518	1.561	20	0		HDADMO
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731352905	1075315835	/nfs/dbraw/zinc/31/58/35/1075315835.db2.gz	WNYJDOVYJPBILH-SFHVURJKSA-N	1	1	424.545	1.904	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCN(Cc2cccc(F)c2)CC1	ZINC000675992471	1075316025	/nfs/dbraw/zinc/31/60/25/1075316025.db2.gz	FQQSJAGJTSUBHV-OAQYLSRUSA-N	1	1	419.545	1.059	20	0		HDADMO
C=CC(=O)NCc1ccc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1	ZINC000731352494	1075316292	/nfs/dbraw/zinc/31/62/92/1075316292.db2.gz	LXMQPEQZBXSUAK-UHFFFAOYSA-N	1	1	412.534	1.505	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1	ZINC000675981324	1075318867	/nfs/dbraw/zinc/31/88/67/1075318867.db2.gz	KQMPUINXOYLSSZ-VQIMIIECSA-N	1	1	421.492	1.492	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@]1(O)CCCc2ccccc21	ZINC000731359721	1075320495	/nfs/dbraw/zinc/32/04/95/1075320495.db2.gz	ZEQGKOBTIHXNJL-HSZRJFAPSA-N	1	1	424.549	1.512	20	0		HDADMO
O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CCCCC2)C1=O	ZINC000676020104	1075325787	/nfs/dbraw/zinc/32/57/87/1075325787.db2.gz	HQXYPYZXWWZXPI-NFBKMPQASA-N	1	1	414.550	1.856	20	0		HDADMO
CO[C@H](C)c1noc(CN2CCCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)n1	ZINC000543654858	1075353269	/nfs/dbraw/zinc/35/32/69/1075353269.db2.gz	UXIGPNGFMHRODJ-OAHLLOKOSA-N	1	1	402.499	1.587	20	0		HDADMO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@H](C)C1	ZINC000676096449	1075359222	/nfs/dbraw/zinc/35/92/22/1075359222.db2.gz	LMSOHIHRGAMUJO-VQIMIIECSA-N	1	1	414.510	1.459	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@H](C)C1	ZINC000676096449	1075359227	/nfs/dbraw/zinc/35/92/27/1075359227.db2.gz	LMSOHIHRGAMUJO-VQIMIIECSA-N	1	1	414.510	1.459	20	0		HDADMO
COc1ccc(-c2n[nH]c(CNC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)n2)cc1	ZINC000676096291	1075359637	/nfs/dbraw/zinc/35/96/37/1075359637.db2.gz	VTROVLAMTZQSKH-UHFFFAOYSA-N	1	1	418.417	1.316	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccsc2NC(=O)c2ccco2)C1	ZINC000731474398	1075361091	/nfs/dbraw/zinc/36/10/91/1075361091.db2.gz	RQRZUVAOCKGMIN-ZDUSSCGKSA-N	1	1	404.492	1.911	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)[C@H]1C(C)C	ZINC000429396232	1075361631	/nfs/dbraw/zinc/36/16/31/1075361631.db2.gz	BCBXZJPBNJCVIZ-YWZLYKJASA-N	1	1	405.495	1.578	20	0		HDADMO
CON(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000804084564	1075367120	/nfs/dbraw/zinc/36/71/20/1075367120.db2.gz	YQWSKUJIYCLQDB-UHFFFAOYSA-N	1	1	411.506	1.300	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@H]1C(C)C	ZINC000429395242	1075369313	/nfs/dbraw/zinc/36/93/13/1075369313.db2.gz	RBMDDKFUONIWKU-WMZOPIPTSA-N	1	1	411.524	1.395	20	0		HDADMO
CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)N(C)C)cc1	ZINC000676089240	1075373291	/nfs/dbraw/zinc/37/32/91/1075373291.db2.gz	GUAHAMHFRBHHGG-LJQANCHMSA-N	1	1	400.527	1.365	20	0		HDADMO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731530692	1075376883	/nfs/dbraw/zinc/37/68/83/1075376883.db2.gz	IFKYRACDRHFWTJ-RDJZCZTQSA-N	1	1	418.494	1.711	20	0		HDADMO
CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000804091620	1075388741	/nfs/dbraw/zinc/38/87/41/1075388741.db2.gz	GXLPNNHTHDLZAL-IRXDYDNUSA-N	1	1	410.559	1.739	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nc(C)n(-c4ccccc4)n3)CC2)CC1	ZINC000731581337	1075394513	/nfs/dbraw/zinc/39/45/13/1075394513.db2.gz	WQZQHNOLVDEOQD-UHFFFAOYSA-N	1	1	424.549	1.982	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1	ZINC000676147483	1075398612	/nfs/dbraw/zinc/39/86/12/1075398612.db2.gz	HLZYGIDFROQEPA-KSFYIVLOSA-N	1	1	419.570	1.162	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1	ZINC000676147483	1075398617	/nfs/dbraw/zinc/39/86/17/1075398617.db2.gz	HLZYGIDFROQEPA-KSFYIVLOSA-N	1	1	419.570	1.162	20	0		HDADMO
Cc1cc(F)cc2c(O)c(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)cnc12	ZINC000676150985	1075400358	/nfs/dbraw/zinc/40/03/58/1075400358.db2.gz	FKQXLZCPAKUBSX-INIZCTEOSA-N	1	1	402.470	1.112	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)n2)cc1	ZINC000426940370	1075401442	/nfs/dbraw/zinc/40/14/42/1075401442.db2.gz	NQWCWBKJZLVXNN-SFHVURJKSA-N	1	1	413.522	1.973	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000731615278	1075413037	/nfs/dbraw/zinc/41/30/37/1075413037.db2.gz	MRQBDEOWWADNAO-GOSISDBHSA-N	1	1	411.458	1.975	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000731615278	1075413046	/nfs/dbraw/zinc/41/30/46/1075413046.db2.gz	MRQBDEOWWADNAO-GOSISDBHSA-N	1	1	411.458	1.975	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C	ZINC000569553041	1075423211	/nfs/dbraw/zinc/42/32/11/1075423211.db2.gz	SPLAPAPTBLIURD-HUUCEWRRSA-N	1	1	400.458	1.739	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C	ZINC000569553041	1075423217	/nfs/dbraw/zinc/42/32/17/1075423217.db2.gz	SPLAPAPTBLIURD-HUUCEWRRSA-N	1	1	400.458	1.739	20	0		HDADMO
CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000429403377	1075424594	/nfs/dbraw/zinc/42/45/94/1075424594.db2.gz	ILVGYHVVWFIKBH-RISCZKNCSA-N	1	1	410.305	1.694	20	0		HDADMO
CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000429403377	1075424601	/nfs/dbraw/zinc/42/46/01/1075424601.db2.gz	ILVGYHVVWFIKBH-RISCZKNCSA-N	1	1	410.305	1.694	20	0		HDADMO
CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434910993	1075425877	/nfs/dbraw/zinc/42/58/77/1075425877.db2.gz	GDCJVZDZQXKACY-OCCSQVGLSA-N	1	1	402.499	2.226	20	0		HDADMO
CCOc1ccc(N2C[C@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1	ZINC000731655286	1075438734	/nfs/dbraw/zinc/43/87/34/1075438734.db2.gz	IRPBLWZNUBZDHJ-MRXNPFEDSA-N	1	1	416.522	1.107	20	0		HDADMO
Cc1cccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1NC(=O)c1ccncc1	ZINC000731655696	1075440423	/nfs/dbraw/zinc/44/04/23/1075440423.db2.gz	ZLNLNVGFDMSIFG-UHFFFAOYSA-N	1	1	423.517	1.925	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3c(-c4ccccn4)csc3=O)CC2)CC1	ZINC000731660867	1075441159	/nfs/dbraw/zinc/44/11/59/1075441159.db2.gz	LWTWICKDAUYXAB-UHFFFAOYSA-N	1	1	415.563	1.805	20	0		HDADMO
CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C	ZINC000542898770	1075443213	/nfs/dbraw/zinc/44/32/13/1075443213.db2.gz	WVDZXHIWXVOJKE-BEFAXECRSA-N	1	1	413.522	1.984	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000731642896	1075444551	/nfs/dbraw/zinc/44/45/51/1075444551.db2.gz	KXXVDBPJWOYTLV-INIZCTEOSA-N	1	1	407.458	1.497	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676244180	1075445823	/nfs/dbraw/zinc/44/58/23/1075445823.db2.gz	RBBGLXQKHKXJJR-IPELMVKDSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244180	1075445825	/nfs/dbraw/zinc/44/58/25/1075445825.db2.gz	RBBGLXQKHKXJJR-IPELMVKDSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676244570	1075446991	/nfs/dbraw/zinc/44/69/91/1075446991.db2.gz	VUSMDUJZIIUXBJ-VQIMIIECSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676244570	1075446995	/nfs/dbraw/zinc/44/69/95/1075446995.db2.gz	VUSMDUJZIIUXBJ-VQIMIIECSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1C[N@H+](C)CCO1	ZINC000676244513	1075447018	/nfs/dbraw/zinc/44/70/18/1075447018.db2.gz	VHNPIOKSBNWGPY-XHDPSFHLSA-N	1	1	414.300	1.739	20	0		HDADMO
C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1C[N@@H+](C)CCO1	ZINC000676244513	1075447021	/nfs/dbraw/zinc/44/70/21/1075447021.db2.gz	VHNPIOKSBNWGPY-XHDPSFHLSA-N	1	1	414.300	1.739	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676246621	1075447403	/nfs/dbraw/zinc/44/74/03/1075447403.db2.gz	XPERNTWPGTZSHF-BJJXKVORSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676246621	1075447406	/nfs/dbraw/zinc/44/74/06/1075447406.db2.gz	XPERNTWPGTZSHF-BJJXKVORSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258146	1075452122	/nfs/dbraw/zinc/45/21/22/1075452122.db2.gz	CUTXYADIWULLIV-YJBOKZPZSA-N	1	1	411.568	1.488	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258146	1075452124	/nfs/dbraw/zinc/45/21/24/1075452124.db2.gz	CUTXYADIWULLIV-YJBOKZPZSA-N	1	1	411.568	1.488	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(N(C)C)cc2)C3)O1	ZINC001006077477	1075453692	/nfs/dbraw/zinc/45/36/92/1075453692.db2.gz	UMCLGGGAGJOTJD-MRBRGOBGSA-N	1	1	400.523	1.333	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(N(C)C)cc2)C3)O1	ZINC001006077477	1075453695	/nfs/dbraw/zinc/45/36/95/1075453695.db2.gz	UMCLGGGAGJOTJD-MRBRGOBGSA-N	1	1	400.523	1.333	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676261127	1075458310	/nfs/dbraw/zinc/45/83/10/1075458310.db2.gz	PZPXHKOJQMNSTR-QAPCUYQASA-N	1	1	406.552	1.645	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261127	1075458314	/nfs/dbraw/zinc/45/83/14/1075458314.db2.gz	PZPXHKOJQMNSTR-QAPCUYQASA-N	1	1	406.552	1.645	20	0		HDADMO
C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1C[N@H+](C)CCO1	ZINC000676262064	1075459912	/nfs/dbraw/zinc/45/99/12/1075459912.db2.gz	VNQXMNJECSOXJS-XHDPSFHLSA-N	1	1	416.291	1.543	20	0		HDADMO
C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1C[N@@H+](C)CCO1	ZINC000676262064	1075459921	/nfs/dbraw/zinc/45/99/21/1075459921.db2.gz	VNQXMNJECSOXJS-XHDPSFHLSA-N	1	1	416.291	1.543	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)cc2)CC1	ZINC000676261587	1075460745	/nfs/dbraw/zinc/46/07/45/1075460745.db2.gz	WYHHQXFOCDWRSM-QFBILLFUSA-N	1	1	403.527	1.305	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262894	1075461095	/nfs/dbraw/zinc/46/10/95/1075461095.db2.gz	OPPPGWHIKVJYMN-LRDDRELGSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262894	1075461103	/nfs/dbraw/zinc/46/11/03/1075461103.db2.gz	OPPPGWHIKVJYMN-LRDDRELGSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262898	1075461199	/nfs/dbraw/zinc/46/11/99/1075461199.db2.gz	OPPPGWHIKVJYMN-WBMJQRKESA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262898	1075461203	/nfs/dbraw/zinc/46/12/03/1075461203.db2.gz	OPPPGWHIKVJYMN-WBMJQRKESA-N	1	1	400.476	1.206	20	0		HDADMO
Cc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000676262471	1075461681	/nfs/dbraw/zinc/46/16/81/1075461681.db2.gz	ZLSKHVFBZQDZGZ-ZIAGYGMSSA-N	1	1	404.536	1.942	20	0		HDADMO
Cc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000676262471	1075461687	/nfs/dbraw/zinc/46/16/87/1075461687.db2.gz	ZLSKHVFBZQDZGZ-ZIAGYGMSSA-N	1	1	404.536	1.942	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676263287	1075462936	/nfs/dbraw/zinc/46/29/36/1075462936.db2.gz	WVLJOHMIZZXPCU-BMGDILEWSA-N	1	1	405.499	1.828	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676263287	1075462941	/nfs/dbraw/zinc/46/29/41/1075462941.db2.gz	WVLJOHMIZZXPCU-BMGDILEWSA-N	1	1	405.499	1.828	20	0		HDADMO
C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676248319	1075466053	/nfs/dbraw/zinc/46/60/53/1075466053.db2.gz	CASFSCKSASTWRD-SWLSCSKDSA-N	1	1	400.321	1.711	20	0		HDADMO
C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248319	1075466056	/nfs/dbraw/zinc/46/60/56/1075466056.db2.gz	CASFSCKSASTWRD-SWLSCSKDSA-N	1	1	400.321	1.711	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248415	1075466101	/nfs/dbraw/zinc/46/61/01/1075466101.db2.gz	SSGUIIPLIWTUGV-HKUYNNGSSA-N	1	1	403.527	1.285	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248415	1075466104	/nfs/dbraw/zinc/46/61/04/1075466104.db2.gz	SSGUIIPLIWTUGV-HKUYNNGSSA-N	1	1	403.527	1.285	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676249824	1075466824	/nfs/dbraw/zinc/46/68/24/1075466824.db2.gz	CMMSVTJQWOGWJF-FXAWDEMLSA-N	1	1	402.539	1.752	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676249824	1075466828	/nfs/dbraw/zinc/46/68/28/1075466828.db2.gz	CMMSVTJQWOGWJF-FXAWDEMLSA-N	1	1	402.539	1.752	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250680	1075467925	/nfs/dbraw/zinc/46/79/25/1075467925.db2.gz	IILLPWGNUVVBAW-GJYPPUQNSA-N	1	1	422.957	1.844	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250680	1075467927	/nfs/dbraw/zinc/46/79/27/1075467927.db2.gz	IILLPWGNUVVBAW-GJYPPUQNSA-N	1	1	422.957	1.844	20	0		HDADMO
C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250361	1075468471	/nfs/dbraw/zinc/46/84/71/1075468471.db2.gz	HALDBROEANEXEL-WFASDCNBSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250361	1075468472	/nfs/dbraw/zinc/46/84/72/1075468472.db2.gz	HALDBROEANEXEL-WFASDCNBSA-N	1	1	413.316	1.197	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C	ZINC000446772002	1075468768	/nfs/dbraw/zinc/46/87/68/1075468768.db2.gz	AZMXXKCHYUVKFB-OAHLLOKOSA-N	1	1	402.474	2.034	20	0		HDADMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000731685306	1075469176	/nfs/dbraw/zinc/46/91/76/1075469176.db2.gz	XFLPCZKDBUZSHM-SFHVURJKSA-N	1	1	402.605	1.449	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252255	1075469997	/nfs/dbraw/zinc/46/99/97/1075469997.db2.gz	QTEVEYORHRWLKX-QUCCMNQESA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252255	1075470004	/nfs/dbraw/zinc/47/00/04/1075470004.db2.gz	QTEVEYORHRWLKX-QUCCMNQESA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252266	1075470194	/nfs/dbraw/zinc/47/01/94/1075470194.db2.gz	QWXXXAXBYNYGHX-QAPCUYQASA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252266	1075470197	/nfs/dbraw/zinc/47/01/97/1075470197.db2.gz	QWXXXAXBYNYGHX-QAPCUYQASA-N	1	1	413.540	1.220	20	0		HDADMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)C1	ZINC000676252463	1075470639	/nfs/dbraw/zinc/47/06/39/1075470639.db2.gz	KQDIWBFSTUTBOD-AWEZNQCLSA-N	1	1	403.458	1.682	20	0		HDADMO
O=C(NCc1nc(-c2cccc(F)c2)no1)C(=O)N1CCC[N@H+](C2CCCC2)CC1	ZINC000676252435	1075470648	/nfs/dbraw/zinc/47/06/48/1075470648.db2.gz	IEQWPQFTJYRAHI-UHFFFAOYSA-N	1	1	415.469	1.969	20	0		HDADMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)C1	ZINC000676252465	1075470735	/nfs/dbraw/zinc/47/07/35/1075470735.db2.gz	KQDIWBFSTUTBOD-CQSZACIVSA-N	1	1	403.458	1.682	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676252443	1075470797	/nfs/dbraw/zinc/47/07/97/1075470797.db2.gz	VSPHQNNEEOUVPH-YLJYHZDGSA-N	1	1	418.538	1.201	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676252443	1075470801	/nfs/dbraw/zinc/47/08/01/1075470801.db2.gz	VSPHQNNEEOUVPH-YLJYHZDGSA-N	1	1	418.538	1.201	20	0		HDADMO
CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C	ZINC000676253317	1075471630	/nfs/dbraw/zinc/47/16/30/1075471630.db2.gz	VVGTYHVDGULDNL-AYBZRNKSSA-N	1	1	406.527	1.623	20	0		HDADMO
CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C	ZINC000676253317	1075471633	/nfs/dbraw/zinc/47/16/33/1075471633.db2.gz	VVGTYHVDGULDNL-AYBZRNKSSA-N	1	1	406.527	1.623	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676253420	1075471696	/nfs/dbraw/zinc/47/16/96/1075471696.db2.gz	XSFFDABEHAYIPA-OXQOHEQNSA-N	1	1	413.522	1.283	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676253420	1075471702	/nfs/dbraw/zinc/47/17/02/1075471702.db2.gz	XSFFDABEHAYIPA-OXQOHEQNSA-N	1	1	413.522	1.283	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676253294	1075471749	/nfs/dbraw/zinc/47/17/49/1075471749.db2.gz	VMSRGAAPIYHXBP-PXNSSMCTSA-N	1	1	417.554	1.234	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676253294	1075471752	/nfs/dbraw/zinc/47/17/52/1075471752.db2.gz	VMSRGAAPIYHXBP-PXNSSMCTSA-N	1	1	417.554	1.234	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676253419	1075471807	/nfs/dbraw/zinc/47/18/07/1075471807.db2.gz	XSFFDABEHAYIPA-OXJNMPFZSA-N	1	1	413.522	1.283	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676253419	1075471809	/nfs/dbraw/zinc/47/18/09/1075471809.db2.gz	XSFFDABEHAYIPA-OXJNMPFZSA-N	1	1	413.522	1.283	20	0		HDADMO
CC[C@H](NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C	ZINC000676253318	1075471827	/nfs/dbraw/zinc/47/18/27/1075471827.db2.gz	VVGTYHVDGULDNL-HHXXYDBFSA-N	1	1	406.527	1.623	20	0		HDADMO
CC[C@H](NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C	ZINC000676253318	1075471830	/nfs/dbraw/zinc/47/18/30/1075471830.db2.gz	VVGTYHVDGULDNL-HHXXYDBFSA-N	1	1	406.527	1.623	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(OCC(F)(F)F)c1	ZINC000676276729	1075475588	/nfs/dbraw/zinc/47/55/88/1075475588.db2.gz	USFGWYMFYFZPSC-INIZCTEOSA-N	1	1	401.429	1.764	20	0		HDADMO
COc1cccc(Cc2nnc(NC(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)s2)c1	ZINC000444820159	1075475729	/nfs/dbraw/zinc/47/57/29/1075475729.db2.gz	UWGKRJKZTZDPOW-AWEZNQCLSA-N	1	1	419.551	2.446	20	0		HDADMO
COc1cccc(Cc2nnc(NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)s2)c1	ZINC000444814976	1075475865	/nfs/dbraw/zinc/47/58/65/1075475865.db2.gz	DRCNFQRFCHXUNK-CQSZACIVSA-N	1	1	419.551	2.446	20	0		HDADMO
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676277610	1075477647	/nfs/dbraw/zinc/47/76/47/1075477647.db2.gz	AWDRRVVXQAYWRH-YJBOKZPZSA-N	1	1	404.511	1.155	20	0		HDADMO
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277610	1075477650	/nfs/dbraw/zinc/47/76/50/1075477650.db2.gz	AWDRRVVXQAYWRH-YJBOKZPZSA-N	1	1	404.511	1.155	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@H]1C[N@H+](C)CCO1	ZINC000676279090	1075478658	/nfs/dbraw/zinc/47/86/58/1075478658.db2.gz	NAPFGDFIIGDEGF-SWLSCSKDSA-N	1	1	402.520	1.949	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279090	1075478660	/nfs/dbraw/zinc/47/86/60/1075478660.db2.gz	NAPFGDFIIGDEGF-SWLSCSKDSA-N	1	1	402.520	1.949	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676278973	1075479176	/nfs/dbraw/zinc/47/91/76/1075479176.db2.gz	LCXBVRSVUZKSJJ-ZANVPECISA-N	1	1	423.363	1.663	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278973	1075479179	/nfs/dbraw/zinc/47/91/79/1075479179.db2.gz	LCXBVRSVUZKSJJ-ZANVPECISA-N	1	1	423.363	1.663	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676278759	1075481007	/nfs/dbraw/zinc/48/10/07/1075481007.db2.gz	JLUIFRZVKFPBTP-HNAYVOBHSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278759	1075481009	/nfs/dbraw/zinc/48/10/09/1075481009.db2.gz	JLUIFRZVKFPBTP-HNAYVOBHSA-N	1	1	410.474	1.713	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1Br	ZINC000676279804	1075482685	/nfs/dbraw/zinc/48/26/85/1075482685.db2.gz	QIJVFOLBMALSAI-IINYFYTJSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Br	ZINC000676279804	1075482691	/nfs/dbraw/zinc/48/26/91/1075482691.db2.gz	QIJVFOLBMALSAI-IINYFYTJSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676279357	1075484569	/nfs/dbraw/zinc/48/45/69/1075484569.db2.gz	OQAUFTWGGUHJPW-IFXJQAMLSA-N	1	1	416.453	1.574	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279357	1075484571	/nfs/dbraw/zinc/48/45/71/1075484571.db2.gz	OQAUFTWGGUHJPW-IFXJQAMLSA-N	1	1	416.453	1.574	20	0		HDADMO
CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676280880	1075485945	/nfs/dbraw/zinc/48/59/45/1075485945.db2.gz	UQMCQBAXXDYULE-IAQYHMDHSA-N	1	1	414.300	1.622	20	0		HDADMO
CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676280880	1075485950	/nfs/dbraw/zinc/48/59/50/1075485950.db2.gz	UQMCQBAXXDYULE-IAQYHMDHSA-N	1	1	414.300	1.622	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@H]1C[N@H+](C)CCO1	ZINC000676280724	1075485960	/nfs/dbraw/zinc/48/59/60/1075485960.db2.gz	WARNKDBBNOSJIN-IAQYHMDHSA-N	1	1	402.417	1.545	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@H]1C[N@@H+](C)CCO1	ZINC000676280724	1075485962	/nfs/dbraw/zinc/48/59/62/1075485962.db2.gz	WARNKDBBNOSJIN-IAQYHMDHSA-N	1	1	402.417	1.545	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280494	1075486717	/nfs/dbraw/zinc/48/67/17/1075486717.db2.gz	IVZUPAQMBARETR-GUYCJALGSA-N	1	1	400.435	1.306	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280494	1075486722	/nfs/dbraw/zinc/48/67/22/1075486722.db2.gz	IVZUPAQMBARETR-GUYCJALGSA-N	1	1	400.435	1.306	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(OC[C@@H]2CCCO2)c1	ZINC000676280353	1075487163	/nfs/dbraw/zinc/48/71/63/1075487163.db2.gz	RYTJZWNZNVSCIK-JTDSTZFVSA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(OC[C@@H]2CCCO2)c1	ZINC000676280353	1075487169	/nfs/dbraw/zinc/48/71/69/1075487169.db2.gz	RYTJZWNZNVSCIK-JTDSTZFVSA-N	1	1	405.495	1.327	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281217	1075487774	/nfs/dbraw/zinc/48/77/74/1075487774.db2.gz	XZCCYDZEAVUKGG-VIPLHTEESA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281217	1075487777	/nfs/dbraw/zinc/48/77/77/1075487777.db2.gz	XZCCYDZEAVUKGG-VIPLHTEESA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281704	1075488233	/nfs/dbraw/zinc/48/82/33/1075488233.db2.gz	OIVFVGDWKCEKHQ-LPHOPBHVSA-N	1	1	412.490	1.477	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281704	1075488239	/nfs/dbraw/zinc/48/82/39/1075488239.db2.gz	OIVFVGDWKCEKHQ-LPHOPBHVSA-N	1	1	412.490	1.477	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676281609	1075488794	/nfs/dbraw/zinc/48/87/94/1075488794.db2.gz	ZDRRTOHBSLSSKN-NHYWBVRUSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676281609	1075488796	/nfs/dbraw/zinc/48/87/96/1075488796.db2.gz	ZDRRTOHBSLSSKN-NHYWBVRUSA-N	1	1	403.401	1.878	20	0		HDADMO
C[C@H](Sc1ncccc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)N1CCCC1	ZINC000676286754	1075491572	/nfs/dbraw/zinc/49/15/72/1075491572.db2.gz	FFKXIKPMBOUHTP-ZOBUZTSGSA-N	1	1	406.552	1.634	20	0		HDADMO
C[C@H](Sc1ncccc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)N1CCCC1	ZINC000676286754	1075491575	/nfs/dbraw/zinc/49/15/75/1075491575.db2.gz	FFKXIKPMBOUHTP-ZOBUZTSGSA-N	1	1	406.552	1.634	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[C@H]1C[N@H+](C)CCO1	ZINC000676289855	1075494448	/nfs/dbraw/zinc/49/44/48/1075494448.db2.gz	JLWMDRQQPFMLFJ-NYYTWLDWSA-N	1	1	407.511	1.552	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[C@H]1C[N@@H+](C)CCO1	ZINC000676289855	1075494449	/nfs/dbraw/zinc/49/44/49/1075494449.db2.gz	JLWMDRQQPFMLFJ-NYYTWLDWSA-N	1	1	407.511	1.552	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676291976	1075495958	/nfs/dbraw/zinc/49/59/58/1075495958.db2.gz	GZPQXYKDDUEOIO-OXJNMPFZSA-N	1	1	418.538	1.247	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676291976	1075495960	/nfs/dbraw/zinc/49/59/60/1075495960.db2.gz	GZPQXYKDDUEOIO-OXJNMPFZSA-N	1	1	418.538	1.247	20	0		HDADMO
C[C@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676293068	1075496640	/nfs/dbraw/zinc/49/66/40/1075496640.db2.gz	SHRYYSWWEMVDFU-YJBOKZPZSA-N	1	1	423.945	1.007	20	0		HDADMO
C[C@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676293068	1075496642	/nfs/dbraw/zinc/49/66/42/1075496642.db2.gz	SHRYYSWWEMVDFU-YJBOKZPZSA-N	1	1	423.945	1.007	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676304002	1075501771	/nfs/dbraw/zinc/50/17/71/1075501771.db2.gz	ITGJBZRODAHVHH-DZGCQCFKSA-N	1	1	406.508	1.681	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676304002	1075501775	/nfs/dbraw/zinc/50/17/75/1075501775.db2.gz	ITGJBZRODAHVHH-DZGCQCFKSA-N	1	1	406.508	1.681	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNc1nc(N2CCOCC2)cc[nH+]1	ZINC000676306032	1075503072	/nfs/dbraw/zinc/50/30/72/1075503072.db2.gz	WZNNVKAFAMIHGY-UHFFFAOYSA-N	1	1	405.524	1.753	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676306223	1075503196	/nfs/dbraw/zinc/50/31/96/1075503196.db2.gz	KSIHSQRPFWKWPD-CXAGYDPISA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676306223	1075503202	/nfs/dbraw/zinc/50/32/02/1075503202.db2.gz	KSIHSQRPFWKWPD-CXAGYDPISA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676307136	1075503869	/nfs/dbraw/zinc/50/38/69/1075503869.db2.gz	XXNWRLWCIZWLDR-ZQIUZPCESA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307136	1075503873	/nfs/dbraw/zinc/50/38/73/1075503873.db2.gz	XXNWRLWCIZWLDR-ZQIUZPCESA-N	1	1	419.444	1.806	20	0		HDADMO
O=S(=O)(NC1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1)c1ccc(F)cc1	ZINC000676306899	1075504345	/nfs/dbraw/zinc/50/43/45/1075504345.db2.gz	PDBIUUKNOGCUJA-UHFFFAOYSA-N	1	1	421.498	1.400	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676308120	1075504782	/nfs/dbraw/zinc/50/47/82/1075504782.db2.gz	VIVGQQPNKQYWTN-JLJPHGGASA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676308120	1075504788	/nfs/dbraw/zinc/50/47/88/1075504788.db2.gz	VIVGQQPNKQYWTN-JLJPHGGASA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676307914	1075505172	/nfs/dbraw/zinc/50/51/72/1075505172.db2.gz	SWKFZCPVBDFNHI-MAUKXSAKSA-N	1	1	420.945	1.534	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676307914	1075505178	/nfs/dbraw/zinc/50/51/78/1075505178.db2.gz	SWKFZCPVBDFNHI-MAUKXSAKSA-N	1	1	420.945	1.534	20	0		HDADMO
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CC[NH+]([C@H]2CCOC2)CC1	ZINC000676317034	1075505977	/nfs/dbraw/zinc/50/59/77/1075505977.db2.gz	QJKPLQQPHDHBAR-NRFANRHFSA-N	1	1	411.550	1.571	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035758425	1075507127	/nfs/dbraw/zinc/50/71/27/1075507127.db2.gz	UJZSBFHBBZPVMC-AZQPHWPRSA-N	1	1	401.551	1.782	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1	ZINC000731756492	1075511904	/nfs/dbraw/zinc/51/19/04/1075511904.db2.gz	MAZDIGHDGPZGFB-UHFFFAOYSA-N	1	1	415.538	1.555	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1	ZINC000731756650	1075512569	/nfs/dbraw/zinc/51/25/69/1075512569.db2.gz	KBHFBDGQGBMFHL-UHFFFAOYSA-N	1	1	415.538	1.274	20	0		HDADMO
C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N2CCOC2=O)cc1	ZINC000731759437	1075513873	/nfs/dbraw/zinc/51/38/73/1075513873.db2.gz	NXNVOIJAELRONL-HNNXBMFYSA-N	1	1	417.510	1.556	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1C	ZINC000676340887	1075513989	/nfs/dbraw/zinc/51/39/89/1075513989.db2.gz	LYYDUOOXJLWVFV-GOSISDBHSA-N	1	1	409.552	1.295	20	0		HDADMO
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000731762246	1075516402	/nfs/dbraw/zinc/51/64/02/1075516402.db2.gz	KKTLSNVNHLSUMM-OAHLLOKOSA-N	1	1	411.547	1.190	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676333091	1075522079	/nfs/dbraw/zinc/52/20/79/1075522079.db2.gz	KBSVOZKEFUJKQR-XPTSAGLGSA-N	1	1	400.262	1.425	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676333091	1075522082	/nfs/dbraw/zinc/52/20/82/1075522082.db2.gz	KBSVOZKEFUJKQR-XPTSAGLGSA-N	1	1	400.262	1.425	20	0		HDADMO
CC(=O)NC1(c2noc(CCC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)n2)CCCCCC1	ZINC000676333126	1075522147	/nfs/dbraw/zinc/52/21/47/1075522147.db2.gz	KEPRDXACYDRCIS-RDJZCZTQSA-N	1	1	421.542	1.523	20	0		HDADMO
CC(=O)NC1(c2noc(CCC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)n2)CCCCCC1	ZINC000676333126	1075522153	/nfs/dbraw/zinc/52/21/53/1075522153.db2.gz	KEPRDXACYDRCIS-RDJZCZTQSA-N	1	1	421.542	1.523	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676332630	1075522729	/nfs/dbraw/zinc/52/27/29/1075522729.db2.gz	GKZNQILNJHGJAZ-HEHGZKQESA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676332630	1075522734	/nfs/dbraw/zinc/52/27/34/1075522734.db2.gz	GKZNQILNJHGJAZ-HEHGZKQESA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676332632	1075523110	/nfs/dbraw/zinc/52/31/10/1075523110.db2.gz	GKZNQILNJHGJAZ-XEZPLFJOSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332632	1075523115	/nfs/dbraw/zinc/52/31/15/1075523115.db2.gz	GKZNQILNJHGJAZ-XEZPLFJOSA-N	1	1	410.312	1.637	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)(c2ccccc2)CC1	ZINC000676334073	1075523507	/nfs/dbraw/zinc/52/35/07/1075523507.db2.gz	RYFMKKBUGXWUFZ-HKUYNNGSSA-N	1	1	423.579	1.205	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)(c2ccccc2)CC1	ZINC000676334073	1075523513	/nfs/dbraw/zinc/52/35/13/1075523513.db2.gz	RYFMKKBUGXWUFZ-HKUYNNGSSA-N	1	1	423.579	1.205	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1	ZINC000731827279	1075525340	/nfs/dbraw/zinc/52/53/40/1075525340.db2.gz	WHPHAAJVIFWFJV-HJPURHCSSA-N	1	1	424.501	1.132	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H](N2CCN(c3cc(OC)cc[nH+]3)CC2)C1=O	ZINC000466729950	1075528375	/nfs/dbraw/zinc/52/83/75/1075528375.db2.gz	COUJQCPWYHOOSY-MRXNPFEDSA-N	1	1	416.503	1.866	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000676357510	1075531487	/nfs/dbraw/zinc/53/14/87/1075531487.db2.gz	FPIPJNMYWSKRFL-IAGOWNOFSA-N	1	1	412.490	1.177	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1	ZINC000731850761	1075534063	/nfs/dbraw/zinc/53/40/63/1075534063.db2.gz	OJJXLQOKAROXPY-KRWDZBQOSA-N	1	1	401.504	1.969	20	0		HDADMO
C[NH+](C)[C@H](CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)c1ccco1	ZINC000804142830	1075543806	/nfs/dbraw/zinc/54/38/06/1075543806.db2.gz	KLHWQGAAUSMVEX-DNVCBOLYSA-N	1	1	405.476	1.753	20	0		HDADMO
Cc1cccc(OCCCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1	ZINC000731842448	1075546665	/nfs/dbraw/zinc/54/66/65/1075546665.db2.gz	JUIFKCHZFZJKDB-HXUWFJFHSA-N	1	1	403.523	1.593	20	0		HDADMO
O=C(Cn1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1)NC1CCCC1	ZINC000676427380	1075551094	/nfs/dbraw/zinc/55/10/94/1075551094.db2.gz	SIBJRYCAAQNOND-OALUTQOASA-N	1	1	403.527	1.315	20	0		HDADMO
CN1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1	ZINC000676451561	1075558335	/nfs/dbraw/zinc/55/83/35/1075558335.db2.gz	FTBJNDBWOIORIM-MOPGFXCFSA-N	1	1	410.522	1.479	20	0		HDADMO
CN1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000676451561	1075558339	/nfs/dbraw/zinc/55/83/39/1075558339.db2.gz	FTBJNDBWOIORIM-MOPGFXCFSA-N	1	1	410.522	1.479	20	0		HDADMO
Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CC[NH+](C)CC3)C2=O)cc1	ZINC000731864318	1075558527	/nfs/dbraw/zinc/55/85/27/1075558527.db2.gz	URTRWRIISHJFJY-GHRIWEEISA-N	1	1	402.520	1.395	20	0		HDADMO
COCC[C@@H]1NC(=O)N(Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1=O	ZINC000804160741	1075560939	/nfs/dbraw/zinc/56/09/39/1075560939.db2.gz	ATOQCGDQACCLSU-IBGZPJMESA-N	1	1	405.495	1.633	20	0		HDADMO
CC[C@@H](O)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676465571	1075561920	/nfs/dbraw/zinc/56/19/20/1075561920.db2.gz	LHRPDFCHPAAFAP-NHCUHLMSSA-N	1	1	404.555	1.376	20	0		HDADMO
O=C(CNS(=O)(=O)c1ccc(Cl)nc1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000731905829	1075564843	/nfs/dbraw/zinc/56/48/43/1075564843.db2.gz	GHXYPMOTMJUMBE-UHFFFAOYSA-N	1	1	408.911	1.358	20	0		HDADMO
CC[NH+](CC)[C@@H](C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1	ZINC000731906818	1075565155	/nfs/dbraw/zinc/56/51/55/1075565155.db2.gz	BXLBGYFMXWLZTO-MRXNPFEDSA-N	1	1	413.478	1.060	20	0		HDADMO
O=C(COC(=O)c1ccc2nccn2c1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000731907881	1075566486	/nfs/dbraw/zinc/56/64/86/1075566486.db2.gz	NFHIAUFQSZYJTF-UHFFFAOYSA-N	1	1	400.479	1.642	20	0		HDADMO
O=C(C[N@H+](CCO)CCc1ccccc1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000676486099	1075568094	/nfs/dbraw/zinc/56/80/94/1075568094.db2.gz	QCFKONPQBCELCU-UHFFFAOYSA-N	1	1	410.518	1.900	20	0		HDADMO
O=C(C[N@@H+](CCO)CCc1ccccc1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000676486099	1075568098	/nfs/dbraw/zinc/56/80/98/1075568098.db2.gz	QCFKONPQBCELCU-UHFFFAOYSA-N	1	1	410.518	1.900	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000676500811	1075570335	/nfs/dbraw/zinc/57/03/35/1075570335.db2.gz	DZEZTNAGSXIGCF-SFHLNBCPSA-N	1	1	405.587	1.051	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000676500811	1075570337	/nfs/dbraw/zinc/57/03/37/1075570337.db2.gz	DZEZTNAGSXIGCF-SFHLNBCPSA-N	1	1	405.587	1.051	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1F	ZINC000731987129	1075586789	/nfs/dbraw/zinc/58/67/89/1075586789.db2.gz	RZIIMFXLMWHDMY-KRWDZBQOSA-N	1	1	422.457	1.656	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1	ZINC000804167603	1075587112	/nfs/dbraw/zinc/58/71/12/1075587112.db2.gz	QGFXMDZOUDCBRC-GJZGRUSLSA-N	1	1	415.563	1.758	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1	ZINC000804167603	1075587120	/nfs/dbraw/zinc/58/71/20/1075587120.db2.gz	QGFXMDZOUDCBRC-GJZGRUSLSA-N	1	1	415.563	1.758	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1	ZINC000804167604	1075587148	/nfs/dbraw/zinc/58/71/48/1075587148.db2.gz	QGFXMDZOUDCBRC-HUUCEWRRSA-N	1	1	415.563	1.758	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1	ZINC000804167604	1075587155	/nfs/dbraw/zinc/58/71/55/1075587155.db2.gz	QGFXMDZOUDCBRC-HUUCEWRRSA-N	1	1	415.563	1.758	20	0		HDADMO
C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)n1	ZINC000676548859	1075596361	/nfs/dbraw/zinc/59/63/61/1075596361.db2.gz	IXDCQUPPZPTGHO-IBGZPJMESA-N	1	1	412.538	1.727	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1	ZINC000732058168	1075597243	/nfs/dbraw/zinc/59/72/43/1075597243.db2.gz	XMZQWPNCMPYCAR-DYYZXQNHSA-N	1	1	421.545	1.949	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1	ZINC000732058168	1075597248	/nfs/dbraw/zinc/59/72/48/1075597248.db2.gz	XMZQWPNCMPYCAR-DYYZXQNHSA-N	1	1	421.545	1.949	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1	ZINC000732058168	1075597254	/nfs/dbraw/zinc/59/72/54/1075597254.db2.gz	XMZQWPNCMPYCAR-DYYZXQNHSA-N	1	1	421.545	1.949	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc2)CC1	ZINC000732060906	1075597882	/nfs/dbraw/zinc/59/78/82/1075597882.db2.gz	BMVNTVVQOJTUJK-UHFFFAOYSA-N	1	1	402.373	1.301	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N(C)Cc2nnc3ccccn32)[NH+]2CCCC2)o1	ZINC000804179170	1075604694	/nfs/dbraw/zinc/60/46/94/1075604694.db2.gz	WHOXIHSMRVTNTK-MRXNPFEDSA-N	1	1	410.478	1.542	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N(C)Cc2nnc3ccccn32)[NH+]2CCCC2)o1	ZINC000804179169	1075604708	/nfs/dbraw/zinc/60/47/08/1075604708.db2.gz	WHOXIHSMRVTNTK-INIZCTEOSA-N	1	1	410.478	1.542	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1	ZINC000676614489	1075616114	/nfs/dbraw/zinc/61/61/14/1075616114.db2.gz	FEZGZKGPGLOQOK-UHFFFAOYSA-N	1	1	422.480	1.904	20	0		HDADMO
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)[NH+]1CCN(C)CC1	ZINC000676614959	1075616829	/nfs/dbraw/zinc/61/68/29/1075616829.db2.gz	KHVWNTXWQZGDMN-QGZVFWFLSA-N	1	1	422.480	1.758	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1	ZINC000444163526	1075617103	/nfs/dbraw/zinc/61/71/03/1075617103.db2.gz	BQQRBEQZECRZKT-NWDGAFQWSA-N	1	1	403.453	1.704	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1	ZINC000444163526	1075617107	/nfs/dbraw/zinc/61/71/07/1075617107.db2.gz	BQQRBEQZECRZKT-NWDGAFQWSA-N	1	1	403.453	1.704	20	0		HDADMO
CCN(C)c1ccccc1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000732081281	1075619351	/nfs/dbraw/zinc/61/93/51/1075619351.db2.gz	UGTKBLTXWPKYRI-FQEVSTJZSA-N	1	1	402.539	1.472	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000429454954	1075622372	/nfs/dbraw/zinc/62/23/72/1075622372.db2.gz	QNYKQAIAGDFPFT-UHFFFAOYSA-N	1	1	404.540	1.399	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(N)nc(Nc3ccccc3C)n2)C1	ZINC000505790840	1075636176	/nfs/dbraw/zinc/63/61/76/1075636176.db2.gz	PQEGYDWDAIYDML-HZPDHXFCSA-N	1	1	413.526	1.291	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(N)nc(Nc3ccccc3C)n2)C1	ZINC000505790840	1075636177	/nfs/dbraw/zinc/63/61/77/1075636177.db2.gz	PQEGYDWDAIYDML-HZPDHXFCSA-N	1	1	413.526	1.291	20	0		HDADMO
C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc4c(cc3OC(F)F)OCO4)[C@@H]2C1	ZINC000676669340	1075638066	/nfs/dbraw/zinc/63/80/66/1075638066.db2.gz	SIHBSKFPOIRIQP-WCQYABFASA-N	1	1	411.405	1.186	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1	ZINC000732139319	1075647222	/nfs/dbraw/zinc/64/72/22/1075647222.db2.gz	NGLQTUSQNLIFJU-UXCKKACVSA-N	1	1	412.534	1.780	20	0		HDADMO
CCOCCCNC(=O)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1	ZINC000486157611	1075649066	/nfs/dbraw/zinc/64/90/66/1075649066.db2.gz	UIJCTXNVMSFRHB-UHFFFAOYSA-N	1	1	417.510	1.988	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1	ZINC000732149493	1075649730	/nfs/dbraw/zinc/64/97/30/1075649730.db2.gz	JJOJFCCJDYDWDT-AWEZNQCLSA-N	1	1	416.975	1.392	20	0		HDADMO
COc1cc(NC(=O)C(C)(C)C)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000732149539	1075649805	/nfs/dbraw/zinc/64/98/05/1075649805.db2.gz	LCFNZBHGTXYXAJ-AWEZNQCLSA-N	1	1	406.527	1.664	20	0		HDADMO
COc1ccc(CCN2C(=O)C(=O)N(CN(C)[C@@H]3CC[N@H+](C4CC4)C3)C2=O)cc1	ZINC000732189691	1075654573	/nfs/dbraw/zinc/65/45/73/1075654573.db2.gz	TYYPGAKFKRBDAR-QGZVFWFLSA-N	1	1	400.479	1.155	20	0		HDADMO
CN(Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732190058	1075654904	/nfs/dbraw/zinc/65/49/04/1075654904.db2.gz	WHPURZRAPHEQIA-ZWKOTPCHSA-N	1	1	422.599	1.556	20	0		HDADMO
C[C@@]1(c2ccccc2F)NC(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732191881	1075655777	/nfs/dbraw/zinc/65/57/77/1075655777.db2.gz	USHWBNHHRFLIBZ-BTYIYWSLSA-N	1	1	402.470	1.885	20	0		HDADMO
C[C@@]1(c2ccccc2F)NC(=O)N(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732191881	1075655783	/nfs/dbraw/zinc/65/57/83/1075655783.db2.gz	USHWBNHHRFLIBZ-BTYIYWSLSA-N	1	1	402.470	1.885	20	0		HDADMO
Cn1cc(N2CC[C@@H]([NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)C2=O)cn1	ZINC000732197265	1075657380	/nfs/dbraw/zinc/65/73/80/1075657380.db2.gz	MQASSRLNEPDMGV-QGZVFWFLSA-N	1	1	411.462	1.605	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000732207120	1075664543	/nfs/dbraw/zinc/66/45/43/1075664543.db2.gz	BQULNPPTNCBZAV-HNNXBMFYSA-N	1	1	424.567	1.878	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000732207120	1075664546	/nfs/dbraw/zinc/66/45/46/1075664546.db2.gz	BQULNPPTNCBZAV-HNNXBMFYSA-N	1	1	424.567	1.878	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCN(c2ccccc2F)CC1	ZINC000732209848	1075666268	/nfs/dbraw/zinc/66/62/68/1075666268.db2.gz	AVMXOVJTQCOXNE-GOSISDBHSA-N	1	1	402.514	1.951	20	0		HDADMO
C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000732213133	1075669564	/nfs/dbraw/zinc/66/95/64/1075669564.db2.gz	YANRBEONWHDFFA-FXAWDEMLSA-N	1	1	400.523	1.937	20	0		HDADMO
C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000732213133	1075669566	/nfs/dbraw/zinc/66/95/66/1075669566.db2.gz	YANRBEONWHDFFA-FXAWDEMLSA-N	1	1	400.523	1.937	20	0		HDADMO
C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000732213139	1075669589	/nfs/dbraw/zinc/66/95/89/1075669589.db2.gz	YANRBEONWHDFFA-YLJYHZDGSA-N	1	1	400.523	1.937	20	0		HDADMO
C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000732213139	1075669592	/nfs/dbraw/zinc/66/95/92/1075669592.db2.gz	YANRBEONWHDFFA-YLJYHZDGSA-N	1	1	400.523	1.937	20	0		HDADMO
CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732214744	1075669887	/nfs/dbraw/zinc/66/98/87/1075669887.db2.gz	VKJGAGJTZXBOMR-AVRDEDQJSA-N	1	1	413.522	1.129	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CN(C)CCO1	ZINC000676740301	1075671946	/nfs/dbraw/zinc/67/19/46/1075671946.db2.gz	UAPYBBZMRFMFSU-DFQSSKMNSA-N	1	1	416.566	1.239	20	0		HDADMO
CCOC(=O)C1C(C[NH2+]C2(CO)CCOCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000732204859	1075675736	/nfs/dbraw/zinc/67/57/36/1075675736.db2.gz	USEZVWOKVAWHIJ-KRWDZBQOSA-N	1	1	423.897	1.642	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1	ZINC001545675297	1075677949	/nfs/dbraw/zinc/67/79/49/1075677949.db2.gz	VOFGEYGWYVASDK-YQVWRLOYSA-N	1	1	411.554	1.709	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1	ZINC000732245415	1075678983	/nfs/dbraw/zinc/67/89/83/1075678983.db2.gz	UWOBOVKCSVQUGQ-IBGZPJMESA-N	1	1	419.570	1.799	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(C[N@@H+](CC(C)(C)O)C2CCOCC2)n1	ZINC000533481845	1075683948	/nfs/dbraw/zinc/68/39/48/1075683948.db2.gz	TWDILOFVXYLVGO-UHFFFAOYSA-N	1	1	400.527	1.934	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1	ZINC000141615105	1075686217	/nfs/dbraw/zinc/68/62/17/1075686217.db2.gz	XDWKGRUKTWXPDJ-QGZVFWFLSA-N	1	1	406.483	1.301	20	0		HDADMO
CC[N@H+]1CCC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1	ZINC000543582691	1075692870	/nfs/dbraw/zinc/69/28/70/1075692870.db2.gz	WFLRTTJJFBQDAG-ZDUSSCGKSA-N	1	1	423.457	1.712	20	0		HDADMO
COc1cc(CNC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc(OC)c1OC	ZINC000548936751	1075696040	/nfs/dbraw/zinc/69/60/40/1075696040.db2.gz	LHFKZILXLSXHFA-OAHLLOKOSA-N	1	1	415.494	1.580	20	0		HDADMO
COc1cc(CNC(=O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc(OC)c1OC	ZINC000548936751	1075696045	/nfs/dbraw/zinc/69/60/45/1075696045.db2.gz	LHFKZILXLSXHFA-OAHLLOKOSA-N	1	1	415.494	1.580	20	0		HDADMO
CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1	ZINC000732287982	1075698933	/nfs/dbraw/zinc/69/89/33/1075698933.db2.gz	KRXUWAXGJPQWHG-GOSISDBHSA-N	1	1	414.579	1.871	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1	ZINC000463264337	1075699630	/nfs/dbraw/zinc/69/96/30/1075699630.db2.gz	GCOXLHLWZYTFRK-ZBFHGGJFSA-N	1	1	401.540	1.472	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)CC2	ZINC000429468065	1075699699	/nfs/dbraw/zinc/69/96/99/1075699699.db2.gz	CZPBDIYKEDILRQ-KRWDZBQOSA-N	1	1	418.538	1.761	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)CC2	ZINC000429468065	1075699703	/nfs/dbraw/zinc/69/97/03/1075699703.db2.gz	CZPBDIYKEDILRQ-KRWDZBQOSA-N	1	1	418.538	1.761	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@@H](C)O1	ZINC000531575425	1075699651	/nfs/dbraw/zinc/69/96/51/1075699651.db2.gz	NKBFFFYIEYQILP-IAGOWNOFSA-N	1	1	413.522	1.874	20	0		HDADMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1	ZINC000485007005	1075701053	/nfs/dbraw/zinc/70/10/53/1075701053.db2.gz	BJXVKUNZNOBYLC-KRWDZBQOSA-N	1	1	411.554	1.771	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1	ZINC000562140817	1075701453	/nfs/dbraw/zinc/70/14/53/1075701453.db2.gz	ZMYPBLBKGPRJKT-JOCHJYFZSA-N	1	1	410.522	2.101	20	0		HDADMO
COc1cc2[nH+]c(NCc3ncn(Cc4cccc(F)c4)n3)nc(N)c2cc1OC	ZINC000443998627	1075703123	/nfs/dbraw/zinc/70/31/23/1075703123.db2.gz	WAJPZDNPSBOSTL-UHFFFAOYSA-N	1	1	409.425	2.042	20	0		HDADMO
COc1cc(C)ccc1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509436551	1075710699	/nfs/dbraw/zinc/71/06/99/1075710699.db2.gz	GGRNVBHWJPXCCN-LJQANCHMSA-N	1	1	424.545	1.947	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC1(O)CCCC1	ZINC000509440226	1075718550	/nfs/dbraw/zinc/71/85/50/1075718550.db2.gz	RYVAKJOWOBYZLL-SFHVURJKSA-N	1	1	402.539	1.077	20	0		HDADMO
Nc1nccc([C@@H]2CCC[N@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C2)n1	ZINC000554842095	1075719741	/nfs/dbraw/zinc/71/97/41/1075719741.db2.gz	GFKJGGVITMLNLC-MRXNPFEDSA-N	1	1	400.552	1.644	20	0		HDADMO
Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C2)n1	ZINC000554842095	1075719746	/nfs/dbraw/zinc/71/97/46/1075719746.db2.gz	GFKJGGVITMLNLC-MRXNPFEDSA-N	1	1	400.552	1.644	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O	ZINC000509439704	1075720831	/nfs/dbraw/zinc/72/08/31/1075720831.db2.gz	QDIQBVSVNXLVTF-SFHLNBCPSA-N	1	1	416.566	1.323	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)nc2ccccc12	ZINC000539783118	1075725464	/nfs/dbraw/zinc/72/54/64/1075725464.db2.gz	DCSMGRLZXHQKBG-UHFFFAOYSA-N	1	1	405.506	1.632	20	0		HDADMO
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000509442903	1075734300	/nfs/dbraw/zinc/73/43/00/1075734300.db2.gz	VHPVKIQHQCBIJG-VQTJNVASSA-N	1	1	415.582	1.114	20	0		HDADMO
CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509443111	1075738386	/nfs/dbraw/zinc/73/83/86/1075738386.db2.gz	XHQUGIUCSYNWLJ-SVFBPWRDSA-N	1	1	416.566	1.633	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)C[C@@H]1C	ZINC000509443090	1075738467	/nfs/dbraw/zinc/73/84/67/1075738467.db2.gz	XDRUJBLWINONRZ-UFYCRDLUSA-N	1	1	415.582	1.254	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)C[C@@H]1C	ZINC000509443090	1075738472	/nfs/dbraw/zinc/73/84/72/1075738472.db2.gz	XDRUJBLWINONRZ-UFYCRDLUSA-N	1	1	415.582	1.254	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C[C@@H](Cc3ccc(F)cc3)C2=O)C1	ZINC000466640816	1075740770	/nfs/dbraw/zinc/74/07/70/1075740770.db2.gz	HNPOKXNDNMRGPL-MJGOQNOKSA-N	1	1	419.497	1.216	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1	ZINC000732445681	1075747241	/nfs/dbraw/zinc/74/72/41/1075747241.db2.gz	AZVPOFXVQZUUHF-HNNXBMFYSA-N	1	1	403.310	1.490	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)c1ccsc1	ZINC000468433582	1075748056	/nfs/dbraw/zinc/74/80/56/1075748056.db2.gz	YYWMCVKPTIZNSW-KRWDZBQOSA-N	1	1	412.519	1.940	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000732459072	1075749711	/nfs/dbraw/zinc/74/97/11/1075749711.db2.gz	NDASBRFCEGZKFV-HZPDHXFCSA-N	1	1	413.563	1.484	20	0		HDADMO
CS(=O)(=O)CC1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1	ZINC000429268569	1075749901	/nfs/dbraw/zinc/74/99/01/1075749901.db2.gz	SOKJAUHSPCNOGA-UHFFFAOYSA-N	1	1	401.916	1.524	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1	ZINC000732463240	1075751191	/nfs/dbraw/zinc/75/11/91/1075751191.db2.gz	LGFNFNFXLOSJIC-MJGOQNOKSA-N	1	1	404.511	1.919	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1S(=O)(=O)N(C)C	ZINC000429268957	1075754092	/nfs/dbraw/zinc/75/40/92/1075754092.db2.gz	FFFJHUWEQZJHCD-KRWDZBQOSA-N	1	1	409.552	1.932	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1S(=O)(=O)N(C)C	ZINC000429268957	1075754097	/nfs/dbraw/zinc/75/40/97/1075754097.db2.gz	FFFJHUWEQZJHCD-KRWDZBQOSA-N	1	1	409.552	1.932	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000429267564	1075756040	/nfs/dbraw/zinc/75/60/40/1075756040.db2.gz	NAIJHMIWQSCRIP-UHFFFAOYSA-N	1	1	401.504	1.015	20	0		HDADMO
CS(=O)(=O)NCCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000509445122	1075756718	/nfs/dbraw/zinc/75/67/18/1075756718.db2.gz	AHFBXYNULQNRIS-INIZCTEOSA-N	1	1	407.458	1.497	20	0		HDADMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1	ZINC000526597211	1075757736	/nfs/dbraw/zinc/75/77/36/1075757736.db2.gz	PZLSBJRQMNQCQQ-UHFFFAOYSA-N	1	1	413.522	1.687	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000475423866	1075758354	/nfs/dbraw/zinc/75/83/54/1075758354.db2.gz	UXQKZCDCKWJYMK-SFHVURJKSA-N	1	1	407.522	1.989	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000479713561	1075759355	/nfs/dbraw/zinc/75/93/55/1075759355.db2.gz	TUQQALSTTDCTDF-VBQJREDUSA-N	1	1	415.542	1.356	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)Cc1ccccc1	ZINC000468466284	1075760967	/nfs/dbraw/zinc/76/09/67/1075760967.db2.gz	HIJJQSMNMXRHHO-UHFFFAOYSA-N	1	1	406.490	1.708	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000514353392	1075761278	/nfs/dbraw/zinc/76/12/78/1075761278.db2.gz	LCMIANUPGZWPDE-BETUJISGSA-N	1	1	403.531	1.260	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000514353392	1075761281	/nfs/dbraw/zinc/76/12/81/1075761281.db2.gz	LCMIANUPGZWPDE-BETUJISGSA-N	1	1	403.531	1.260	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCc3ccccc3C2=O)CC1=O	ZINC000466642290	1075762726	/nfs/dbraw/zinc/76/27/26/1075762726.db2.gz	BAIRCWGLBMABFZ-OALUTQOASA-N	1	1	412.534	1.134	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCc3ccccc3C2=O)CC1=O	ZINC000466642294	1075762967	/nfs/dbraw/zinc/76/29/67/1075762967.db2.gz	BAIRCWGLBMABFZ-RTBURBONSA-N	1	1	412.534	1.134	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC1CCCC1	ZINC000732486074	1075763119	/nfs/dbraw/zinc/76/31/19/1075763119.db2.gz	WYAATSYTNDCTHW-INIZCTEOSA-N	1	1	404.511	1.317	20	0		HDADMO
O=c1n(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nnn1-c1ccccc1	ZINC000732491364	1075764868	/nfs/dbraw/zinc/76/48/68/1075764868.db2.gz	KNTYCQBOCUCQKK-UHFFFAOYSA-N	1	1	414.897	1.737	20	0		HDADMO
O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000509268267	1075773907	/nfs/dbraw/zinc/77/39/07/1075773907.db2.gz	ONWSKXQMEAYJDA-HOTGVXAUSA-N	1	1	412.581	1.638	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000470947448	1075773933	/nfs/dbraw/zinc/77/39/33/1075773933.db2.gz	NJMMPMLRRXJLOV-QGZVFWFLSA-N	1	1	414.485	1.607	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000470947448	1075773941	/nfs/dbraw/zinc/77/39/41/1075773941.db2.gz	NJMMPMLRRXJLOV-QGZVFWFLSA-N	1	1	414.485	1.607	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)C1CC1	ZINC000804223767	1075775771	/nfs/dbraw/zinc/77/57/71/1075775771.db2.gz	HJEVFXVYTXJAQE-NVXWUHKLSA-N	1	1	410.559	1.881	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C)C1CC1	ZINC000804224463	1075776290	/nfs/dbraw/zinc/77/62/90/1075776290.db2.gz	QCTHCIKDQJHXOS-RDJZCZTQSA-N	1	1	410.559	1.739	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)CC1=O	ZINC000732526558	1075780818	/nfs/dbraw/zinc/78/08/18/1075780818.db2.gz	FVMSEQNWOLPHCV-BRWVUGGUSA-N	1	1	410.559	1.691	20	0		HDADMO
CC1CCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)CC1	ZINC000429276664	1075783464	/nfs/dbraw/zinc/78/34/64/1075783464.db2.gz	UHOQLTRFKCZMPH-KRWDZBQOSA-N	1	1	424.567	1.638	20	0		HDADMO
CC1CCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)CC1	ZINC000429276664	1075783471	/nfs/dbraw/zinc/78/34/71/1075783471.db2.gz	UHOQLTRFKCZMPH-KRWDZBQOSA-N	1	1	424.567	1.638	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1	ZINC000509273138	1075786530	/nfs/dbraw/zinc/78/65/30/1075786530.db2.gz	YDPQLZLQOUKGMH-INIZCTEOSA-N	1	1	417.597	1.868	20	0		HDADMO
CN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559548	1075786974	/nfs/dbraw/zinc/78/69/74/1075786974.db2.gz	NWYDZPYXZBLDHS-JKSUJKDBSA-N	1	1	420.476	1.777	20	0		HDADMO
CN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559548	1075786979	/nfs/dbraw/zinc/78/69/79/1075786979.db2.gz	NWYDZPYXZBLDHS-JKSUJKDBSA-N	1	1	420.476	1.777	20	0		HDADMO
CCN1C[C@@H](CN(C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)Oc2ccccc21	ZINC000016423724	1075787137	/nfs/dbraw/zinc/78/71/37/1075787137.db2.gz	XUVUAIUBMLSINE-WOJBJXKFSA-N	1	1	418.582	1.679	20	0		HDADMO
CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565104	1075789717	/nfs/dbraw/zinc/78/97/17/1075789717.db2.gz	VRSHRKBHGPXWKI-CRAIPNDOSA-N	1	1	417.476	1.187	20	0		HDADMO
CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565104	1075789722	/nfs/dbraw/zinc/78/97/22/1075789722.db2.gz	VRSHRKBHGPXWKI-CRAIPNDOSA-N	1	1	417.476	1.187	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)CC[C@@H]21	ZINC000484434791	1075790034	/nfs/dbraw/zinc/79/00/34/1075790034.db2.gz	DVKQRFOIXWIMGD-WBVHZDCISA-N	1	1	416.913	1.861	20	0		HDADMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)C[C@@H]1Cc1ccccc1	ZINC000556556026	1075790935	/nfs/dbraw/zinc/79/09/35/1075790935.db2.gz	KLKANUNDYLSCCW-IBGZPJMESA-N	1	1	410.522	2.107	20	0		HDADMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)C[C@@H]1Cc1ccccc1	ZINC000556556026	1075790940	/nfs/dbraw/zinc/79/09/40/1075790940.db2.gz	KLKANUNDYLSCCW-IBGZPJMESA-N	1	1	410.522	2.107	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ncoc2-c2ccccc2)C1	ZINC000732576665	1075794232	/nfs/dbraw/zinc/79/42/32/1075794232.db2.gz	LGTXAXLSPYRIDS-KRWDZBQOSA-N	1	1	401.463	1.971	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)/C=C/C3CCOCC3)c2)CC1	ZINC000732639504	1075810359	/nfs/dbraw/zinc/81/03/59/1075810359.db2.gz	ZOPAXRODPROBDJ-VOTSOKGWSA-N	1	1	407.536	1.934	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)/C=C/C3CCOCC3)c2)CC1	ZINC000732639504	1075810366	/nfs/dbraw/zinc/81/03/66/1075810366.db2.gz	ZOPAXRODPROBDJ-VOTSOKGWSA-N	1	1	407.536	1.934	20	0		HDADMO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000556203872	1075811917	/nfs/dbraw/zinc/81/19/17/1075811917.db2.gz	CXAYADMYQCKXOQ-ZFWWWQNUSA-N	1	1	415.460	1.960	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1	ZINC000611036362	1075818137	/nfs/dbraw/zinc/81/81/37/1075818137.db2.gz	PAFBEHXSQDXUQL-SFHVURJKSA-N	1	1	424.586	1.101	20	0		HDADMO
CNC(=O)Cn1nc(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1C	ZINC000429621631	1075822463	/nfs/dbraw/zinc/82/24/63/1075822463.db2.gz	CJCPLYPDHHQYCT-QGZVFWFLSA-N	1	1	416.551	1.677	20	0		HDADMO
CNC(=O)Cn1nc(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1C	ZINC000429621631	1075822466	/nfs/dbraw/zinc/82/24/66/1075822466.db2.gz	CJCPLYPDHHQYCT-QGZVFWFLSA-N	1	1	416.551	1.677	20	0		HDADMO
CC(C)C[NH+]1CCN(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1	ZINC000559868562	1075824196	/nfs/dbraw/zinc/82/41/96/1075824196.db2.gz	ZZVYBLJLKJHWHU-UHFFFAOYSA-N	1	1	415.460	1.819	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000732675895	1075830056	/nfs/dbraw/zinc/83/00/56/1075830056.db2.gz	MWNZNIKXULIYDE-KGLIPLIRSA-N	1	1	412.478	1.474	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000732675896	1075830066	/nfs/dbraw/zinc/83/00/66/1075830066.db2.gz	MWNZNIKXULIYDE-UONOGXRCSA-N	1	1	412.478	1.474	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C[C@@H]1C	ZINC000611100726	1075833385	/nfs/dbraw/zinc/83/33/85/1075833385.db2.gz	PLDCQUSLSTVXSJ-NSHDSACASA-N	1	1	401.248	1.782	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C[C@@H]1C	ZINC000611100726	1075833390	/nfs/dbraw/zinc/83/33/90/1075833390.db2.gz	PLDCQUSLSTVXSJ-NSHDSACASA-N	1	1	401.248	1.782	20	0		HDADMO
CC[N@H+]1CCN(C(=O)CNC(=O)c2ccccc2I)C[C@H]1C	ZINC000611100626	1075833730	/nfs/dbraw/zinc/83/37/30/1075833730.db2.gz	MOBAUZNHSYTJOI-GFCCVEGCSA-N	1	1	415.275	1.574	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000732704553	1075837447	/nfs/dbraw/zinc/83/74/47/1075837447.db2.gz	YLPDLXYJSJKRQP-CYBMUJFWSA-N	1	1	400.467	1.189	20	0		HDADMO
CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCCCNc1ccc(C)c[nH+]1)C2	ZINC000573271976	1075848548	/nfs/dbraw/zinc/84/85/48/1075848548.db2.gz	HQEGEOVQVTYMAL-UHFFFAOYSA-N	1	1	417.535	1.868	20	0		HDADMO
CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1	ZINC000732779556	1075851529	/nfs/dbraw/zinc/85/15/29/1075851529.db2.gz	WDOKONOCWKKALD-AWEZNQCLSA-N	1	1	412.531	1.022	20	0		HDADMO
CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000732779556	1075851537	/nfs/dbraw/zinc/85/15/37/1075851537.db2.gz	WDOKONOCWKKALD-AWEZNQCLSA-N	1	1	412.531	1.022	20	0		HDADMO
C[NH+]1CCN(c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccn2)CC1	ZINC000732753768	1075856955	/nfs/dbraw/zinc/85/69/55/1075856955.db2.gz	WQMZLBWZCJMLKS-GOSISDBHSA-N	1	1	423.517	1.995	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732807457	1075863023	/nfs/dbraw/zinc/86/30/23/1075863023.db2.gz	ODHDDAYNIYHUMD-QGZVFWFLSA-N	1	1	409.552	1.793	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)c(=O)[nH]c21	ZINC000732779229	1075863656	/nfs/dbraw/zinc/86/36/56/1075863656.db2.gz	BDWCKHYFWNGKMO-XDXAGZTOSA-N	1	1	412.538	1.603	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)c(=O)[nH]c21	ZINC000732779229	1075863662	/nfs/dbraw/zinc/86/36/62/1075863662.db2.gz	BDWCKHYFWNGKMO-XDXAGZTOSA-N	1	1	412.538	1.603	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1	ZINC000429302033	1075865136	/nfs/dbraw/zinc/86/51/36/1075865136.db2.gz	PZLDQOWUEIKZGZ-LSDHHAIUSA-N	1	1	406.483	1.399	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)CC2)CC1	ZINC000611181125	1075868222	/nfs/dbraw/zinc/86/82/22/1075868222.db2.gz	LCCXKBUFZHFJOJ-UYAOXDASSA-N	1	1	407.603	1.881	20	0		HDADMO
COc1ccc(NC(=O)NC(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1	ZINC000611180969	1075868279	/nfs/dbraw/zinc/86/82/79/1075868279.db2.gz	NEDFEVLIDPRQHJ-UHFFFAOYSA-N	1	1	417.554	1.834	20	0		HDADMO
COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1OC	ZINC000732807921	1075870300	/nfs/dbraw/zinc/87/03/00/1075870300.db2.gz	XGPKZSDZRRHIGN-GOSISDBHSA-N	1	1	403.523	1.839	20	0		HDADMO
COc1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1OC	ZINC000732807921	1075870305	/nfs/dbraw/zinc/87/03/05/1075870305.db2.gz	XGPKZSDZRRHIGN-GOSISDBHSA-N	1	1	403.523	1.839	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1C(=O)OC(C)(C)C	ZINC000611189665	1075872933	/nfs/dbraw/zinc/87/29/33/1075872933.db2.gz	DPPMWGBGZQWVER-RHSMWYFYSA-N	1	1	405.495	1.724	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1C(=O)OC(C)(C)C	ZINC000611189665	1075872937	/nfs/dbraw/zinc/87/29/37/1075872937.db2.gz	DPPMWGBGZQWVER-RHSMWYFYSA-N	1	1	405.495	1.724	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732812939	1075874887	/nfs/dbraw/zinc/87/48/87/1075874887.db2.gz	FQAJADVYAQOMMU-GDBMZVCRSA-N	1	1	403.401	1.480	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732813664	1075874916	/nfs/dbraw/zinc/87/49/16/1075874916.db2.gz	ZKRMFASLWGLNHK-IEBWSBKVSA-N	1	1	415.534	1.982	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732813664	1075874918	/nfs/dbraw/zinc/87/49/18/1075874918.db2.gz	ZKRMFASLWGLNHK-IEBWSBKVSA-N	1	1	415.534	1.982	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732813665	1075875023	/nfs/dbraw/zinc/87/50/23/1075875023.db2.gz	ZKRMFASLWGLNHK-MJGOQNOKSA-N	1	1	415.534	1.982	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732813665	1075875029	/nfs/dbraw/zinc/87/50/29/1075875029.db2.gz	ZKRMFASLWGLNHK-MJGOQNOKSA-N	1	1	415.534	1.982	20	0		HDADMO
O=C1C[C@@H]([N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C(=O)N1CCc1ccccc1F	ZINC000732818776	1075878891	/nfs/dbraw/zinc/87/88/91/1075878891.db2.gz	IARRTBUBZXUJFY-PKOBYXMFSA-N	1	1	401.482	1.973	20	0		HDADMO
O=C1C[C@@H]([N@H+]2CCC[C@H](N3CCCCC3=O)C2)C(=O)N1CCc1ccccc1F	ZINC000732818776	1075878896	/nfs/dbraw/zinc/87/88/96/1075878896.db2.gz	IARRTBUBZXUJFY-PKOBYXMFSA-N	1	1	401.482	1.973	20	0		HDADMO
Cc1ccccc1[C@@H](O)CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000732823430	1075879821	/nfs/dbraw/zinc/87/98/21/1075879821.db2.gz	TZNZFJNIKZVPSA-NRFANRHFSA-N	1	1	410.518	1.915	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ncccc2I)CC1	ZINC000611242512	1075882237	/nfs/dbraw/zinc/88/22/37/1075882237.db2.gz	KWAHIFWCWPJODL-ZDUSSCGKSA-N	1	1	400.264	1.605	20	0		HDADMO
COC(=O)[C@@]1(NCc2cc(=O)n3ccccc3n2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265909	1075889033	/nfs/dbraw/zinc/88/90/33/1075889033.db2.gz	PVLZBDQYBDTLGN-HSZRJFAPSA-N	1	1	406.486	1.992	20	0		HDADMO
COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1	ZINC000611285097	1075892394	/nfs/dbraw/zinc/89/23/94/1075892394.db2.gz	ZRJGORYSCVMLOR-ZWKOTPCHSA-N	1	1	408.930	1.976	20	0		HDADMO
C[N@@H+](CCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1	ZINC000732888698	1075893216	/nfs/dbraw/zinc/89/32/16/1075893216.db2.gz	CIKXUPGFAGGUPU-HNNXBMFYSA-N	1	1	411.547	1.143	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611323698	1075901103	/nfs/dbraw/zinc/90/11/03/1075901103.db2.gz	UCVXQZZOWBCMJE-KBPBESRZSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611323698	1075901105	/nfs/dbraw/zinc/90/11/05/1075901105.db2.gz	UCVXQZZOWBCMJE-KBPBESRZSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1	ZINC000611372396	1075916048	/nfs/dbraw/zinc/91/60/48/1075916048.db2.gz	XRLUTNGJMOVOED-CVEARBPZSA-N	1	1	400.483	1.607	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1	ZINC000611372396	1075916050	/nfs/dbraw/zinc/91/60/50/1075916050.db2.gz	XRLUTNGJMOVOED-CVEARBPZSA-N	1	1	400.483	1.607	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1Br	ZINC000611380836	1075922137	/nfs/dbraw/zinc/92/21/37/1075922137.db2.gz	GAVKROAUFGUKGQ-ZDUSSCGKSA-N	1	1	424.295	1.775	20	0		HDADMO
CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000611382505	1075922730	/nfs/dbraw/zinc/92/27/30/1075922730.db2.gz	GWPFIRJIEXJVSH-QZTJIDSGSA-N	1	1	417.506	1.638	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)[C@H](C)C1	ZINC000611401386	1075925326	/nfs/dbraw/zinc/92/53/26/1075925326.db2.gz	QMEHBTODCRKHJO-BEFAXECRSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)[C@H](C)C1	ZINC000611401386	1075925329	/nfs/dbraw/zinc/92/53/29/1075925329.db2.gz	QMEHBTODCRKHJO-BEFAXECRSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@H](C)C1	ZINC000611401336	1075925439	/nfs/dbraw/zinc/92/54/39/1075925439.db2.gz	CFBSFXFFHLTFER-XLIONFOSSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@H](C)C1	ZINC000611401336	1075925442	/nfs/dbraw/zinc/92/54/42/1075925442.db2.gz	CFBSFXFFHLTFER-XLIONFOSSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)[C@@H](C)C1	ZINC000611401537	1075925729	/nfs/dbraw/zinc/92/57/29/1075925729.db2.gz	WGQCMYUBONBYBE-KXBFYZLASA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)[C@@H](C)C1	ZINC000611401537	1075925731	/nfs/dbraw/zinc/92/57/31/1075925731.db2.gz	WGQCMYUBONBYBE-KXBFYZLASA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)[C@H](C)C1	ZINC000611407228	1075926730	/nfs/dbraw/zinc/92/67/30/1075926730.db2.gz	AAUNIPARCVDBQJ-LLVKDONJSA-N	1	1	405.455	1.053	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)[C@H](C)C1	ZINC000611407228	1075926732	/nfs/dbraw/zinc/92/67/32/1075926732.db2.gz	AAUNIPARCVDBQJ-LLVKDONJSA-N	1	1	405.455	1.053	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1=O	ZINC000733001326	1075933449	/nfs/dbraw/zinc/93/34/49/1075933449.db2.gz	OTKRDQPBFVWZML-SJLPKXTDSA-N	1	1	408.543	1.445	20	0		HDADMO
C[C@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000733002278	1075934223	/nfs/dbraw/zinc/93/42/23/1075934223.db2.gz	YDRFRAXDMPJUOO-CQSZACIVSA-N	1	1	415.506	1.814	20	0		HDADMO
C[C@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCc2ccccc2C1	ZINC000733002278	1075934225	/nfs/dbraw/zinc/93/42/25/1075934225.db2.gz	YDRFRAXDMPJUOO-CQSZACIVSA-N	1	1	415.506	1.814	20	0		HDADMO
COC(=O)C1(c2ccc(S(=O)(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc2)CC1	ZINC000611445555	1075935617	/nfs/dbraw/zinc/93/56/17/1075935617.db2.gz	SLKXWGHEZRFWRC-GOSISDBHSA-N	1	1	422.547	1.767	20	0		HDADMO
COC(=O)C1(c2ccc(S(=O)(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc2)CC1	ZINC000611445555	1075935620	/nfs/dbraw/zinc/93/56/20/1075935620.db2.gz	SLKXWGHEZRFWRC-GOSISDBHSA-N	1	1	422.547	1.767	20	0		HDADMO
COC(=O)c1cc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)on1	ZINC000611486208	1075947296	/nfs/dbraw/zinc/94/72/96/1075947296.db2.gz	QECLRXOXXJAEAO-UHFFFAOYSA-N	1	1	400.479	1.789	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733046340	1075952707	/nfs/dbraw/zinc/95/27/07/1075952707.db2.gz	PEDFUULSNCXSNP-GDBMZVCRSA-N	1	1	414.506	1.824	20	0		HDADMO
Cc1cc(NC(=O)NC2CC[NH+](CCN(C)C)CC2)ccc1N1C(=O)CCC1=O	ZINC000733034354	1075959812	/nfs/dbraw/zinc/95/98/12/1075959812.db2.gz	WMEBQDPZJJGGPS-UHFFFAOYSA-N	1	1	401.511	1.796	20	0		HDADMO
Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2cccc(F)c2)[nH]1	ZINC001079192322	1075966914	/nfs/dbraw/zinc/96/69/14/1075966914.db2.gz	ATNKGEBSRZTDMC-BHQCHZOVSA-N	1	1	411.481	1.760	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1=O	ZINC000733136278	1075972742	/nfs/dbraw/zinc/97/27/42/1075972742.db2.gz	WEKNVFYKHXJZFM-MAUKXSAKSA-N	1	1	400.479	1.915	20	0		HDADMO
COc1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(Cl)c1OCC(N)=O	ZINC000105474733	1075973242	/nfs/dbraw/zinc/97/32/42/1075973242.db2.gz	WCTBVRMFYZGADC-AWEZNQCLSA-N	1	1	411.886	1.150	20	0		HDADMO
CCCCn1c2nc(CN3CCC[N@@H+](Cc4ccccc4)CC3)n(C)c2c(=O)[nH]c1=O	ZINC000105523851	1075974357	/nfs/dbraw/zinc/97/43/57/1075974357.db2.gz	YYAZFULZLCALLD-UHFFFAOYSA-N	1	1	424.549	1.931	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)/C(=C/c1cccnc1)NC(=O)c1ccccc1	ZINC000733143020	1075975301	/nfs/dbraw/zinc/97/53/01/1075975301.db2.gz	BXTAEJRDDBQQCH-LDUBKBBESA-N	1	1	406.486	1.832	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CC1=O	ZINC000733123423	1075978205	/nfs/dbraw/zinc/97/82/05/1075978205.db2.gz	LCNOSZAYXMNXDK-FXAWDEMLSA-N	1	1	400.523	1.795	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1=O	ZINC000733125003	1075978560	/nfs/dbraw/zinc/97/85/60/1075978560.db2.gz	BOJFYEVLXUCHAX-HIFRSBDPSA-N	1	1	408.449	1.352	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(N3CCOC3=O)c2)CC1=O	ZINC000733131634	1075980230	/nfs/dbraw/zinc/98/02/30/1075980230.db2.gz	FGBZVCDJISFWLO-CRAIPNDOSA-N	1	1	400.479	1.915	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1=O	ZINC000733134472	1075981191	/nfs/dbraw/zinc/98/11/91/1075981191.db2.gz	QKXRUQBGUJVRMU-WMZOPIPTSA-N	1	1	422.570	1.835	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1=O	ZINC000733135865	1075981667	/nfs/dbraw/zinc/98/16/67/1075981667.db2.gz	KZLKWDYGGNMDRC-DLBZAZTESA-N	1	1	410.559	1.692	20	0		HDADMO
COC(=O)Nc1ccccc1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000733153354	1075988104	/nfs/dbraw/zinc/98/81/04/1075988104.db2.gz	TVWQDCQDZXPGAK-UHFFFAOYSA-N	1	1	402.495	1.881	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)c2C)no1	ZINC000509562041	1075988201	/nfs/dbraw/zinc/98/82/01/1075988201.db2.gz	UQSGLFQXTUWWLU-IYBDPMFKSA-N	1	1	415.542	1.562	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H](O)CN2CCOC[C@@H]2c2nnc(-c3cccs3)o2)C[C@@H](C)O1	ZINC000510938478	1075991995	/nfs/dbraw/zinc/99/19/95/1075991995.db2.gz	SHZYPVYXCUZSNW-LVQVYYBASA-N	1	1	408.524	1.642	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@@H+](CCO)Cc2cc(Br)cs2)C[C@H](C)O1	ZINC000494247079	1075999421	/nfs/dbraw/zinc/99/94/21/1075999421.db2.gz	HEPLTGNUPNPSJB-GUTXKFCHSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@@H](O)CN(CCO)Cc2cc(Br)cs2)C[C@H](C)O1	ZINC000494247079	1075999424	/nfs/dbraw/zinc/99/94/24/1075999424.db2.gz	HEPLTGNUPNPSJB-GUTXKFCHSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H](O)CN(CCO)Cc2cc(Br)cs2)C[C@H](C)O1	ZINC000494247079	1075999427	/nfs/dbraw/zinc/99/94/27/1075999427.db2.gz	HEPLTGNUPNPSJB-GUTXKFCHSA-N	1	1	407.374	1.775	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000733170016	1075999853	/nfs/dbraw/zinc/99/98/53/1075999853.db2.gz	INCQNCSDGRCXEK-FPXKJXHESA-N	1	1	415.517	1.509	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000733170033	1076000674	/nfs/dbraw/zinc/00/06/74/1076000674.db2.gz	IZIMIRSEVODOQQ-GJZGRUSLSA-N	1	1	408.465	1.540	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001081101485	1076001363	/nfs/dbraw/zinc/00/13/63/1076001363.db2.gz	BROADLFKAKZPRA-YENHRIDLSA-N	1	1	403.567	1.839	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N[C@H](C)C[NH+]3CCN(c4ccccc4)CC3)c2C)no1	ZINC000513313338	1076005306	/nfs/dbraw/zinc/00/53/06/1076005306.db2.gz	VEMQRGFEYLZLLN-MRXNPFEDSA-N	1	1	423.521	1.872	20	0		HDADMO
O=S(=O)(c1ccc(CNc2nc(N3CCCC3)cc[nH+]2)cc1)N1CCOCC1	ZINC000733183934	1076011228	/nfs/dbraw/zinc/01/12/28/1076011228.db2.gz	GTPUZTSKMIACJU-UHFFFAOYSA-N	1	1	403.508	1.710	20	0		HDADMO
COC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1	ZINC000733183280	1076011442	/nfs/dbraw/zinc/01/14/42/1076011442.db2.gz	IYLWVBNBGQHHTJ-IERDGZPVSA-N	1	1	403.479	1.974	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1	ZINC000733183280	1076011449	/nfs/dbraw/zinc/01/14/49/1076011449.db2.gz	IYLWVBNBGQHHTJ-IERDGZPVSA-N	1	1	403.479	1.974	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)no1	ZINC000514025274	1076016283	/nfs/dbraw/zinc/01/62/83/1076016283.db2.gz	UYVFWTYSCBHPDV-UKPHBRMFSA-N	1	1	404.515	1.390	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H](C)C[N@H+]3CCC[C@H](C)C3)C2)no1	ZINC000514026187	1076016654	/nfs/dbraw/zinc/01/66/54/1076016654.db2.gz	DNIRPIJILXOWSN-XYJFISCASA-N	1	1	420.558	1.885	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)COc2ccc(C=O)cc2)cc1	ZINC000733258309	1076019307	/nfs/dbraw/zinc/01/93/07/1076019307.db2.gz	VJASNLYPTBMDLQ-UHFFFAOYSA-N	1	1	424.501	1.727	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960798	1076020434	/nfs/dbraw/zinc/02/04/34/1076020434.db2.gz	SBLZDCOWFRKYSX-FSZPJUOZSA-N	1	1	400.504	1.430	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960798	1076020439	/nfs/dbraw/zinc/02/04/39/1076020439.db2.gz	SBLZDCOWFRKYSX-FSZPJUOZSA-N	1	1	400.504	1.430	20	0		HDADMO
COCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)cc1	ZINC001081973379	1076021187	/nfs/dbraw/zinc/02/11/87/1076021187.db2.gz	KZMQXUBYNAWTFY-WRTQPQOASA-N	1	1	404.507	1.200	20	0		HDADMO
CCOC(=O)N(C)C1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1	ZINC000727034648	1076029421	/nfs/dbraw/zinc/02/94/21/1076029421.db2.gz	RBLCRDMTEFHPEX-KRWDZBQOSA-N	1	1	411.547	1.191	20	0		HDADMO
COCC[N@H+](CCC(=O)OC)CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000733309852	1076035205	/nfs/dbraw/zinc/03/52/05/1076035205.db2.gz	SJNQQFDKHACOBV-UHFFFAOYSA-N	1	1	409.439	1.008	20	0		HDADMO
COCC[N@@H+](CCC(=O)OC)CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000733309852	1076035211	/nfs/dbraw/zinc/03/52/11/1076035211.db2.gz	SJNQQFDKHACOBV-UHFFFAOYSA-N	1	1	409.439	1.008	20	0		HDADMO
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)C1	ZINC000727093346	1076043175	/nfs/dbraw/zinc/04/31/75/1076043175.db2.gz	GYJFASRUYRPUHR-GOSISDBHSA-N	1	1	421.513	1.754	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000727226032	1076084376	/nfs/dbraw/zinc/08/43/76/1076084376.db2.gz	XTOBZTRFRCWQFQ-SFHVURJKSA-N	1	1	412.494	1.356	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cccn(C)c3=O)CC2)cc1	ZINC000733505227	1076085926	/nfs/dbraw/zinc/08/59/26/1076085926.db2.gz	MIOVRVGKIRJNPW-UHFFFAOYSA-N	1	1	413.474	1.285	20	0		HDADMO
Cc1cc(C(=O)NC2CC[NH+](CC(=O)NC3CCC4(CC3)OCCO4)CC2)c(C)o1	ZINC000727437165	1076119684	/nfs/dbraw/zinc/11/96/84/1076119684.db2.gz	NLKGSYAKLZIMAF-UHFFFAOYSA-N	1	1	419.522	1.893	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)COC[C@@H]2CCCO2)CC1	ZINC000733594623	1076121260	/nfs/dbraw/zinc/12/12/60/1076121260.db2.gz	GISURWIQFILTBX-FQEVSTJZSA-N	1	1	404.507	1.768	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNS(=O)(=O)/C=C\c2ccc(Br)cc2)CC1	ZINC000727449724	1076131322	/nfs/dbraw/zinc/13/13/22/1076131322.db2.gz	FEODGPNJGMQSCV-QPEQYQDCSA-N	1	1	416.341	1.503	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)CC1	ZINC000733642829	1076137444	/nfs/dbraw/zinc/13/74/44/1076137444.db2.gz	AZNGYSPFECWZPX-UHFFFAOYSA-N	1	1	417.510	1.067	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1	ZINC000733648369	1076140144	/nfs/dbraw/zinc/14/01/44/1076140144.db2.gz	IFEHMSWIEPFXJA-RTWAWAEBSA-N	1	1	417.554	1.179	20	0		HDADMO
NC(=O)C[NH+]1CCC(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1	ZINC000727484837	1076141192	/nfs/dbraw/zinc/14/11/92/1076141192.db2.gz	VWFSWANZJYYQLO-UHFFFAOYSA-N	1	1	401.536	1.579	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1	ZINC000733669943	1076151954	/nfs/dbraw/zinc/15/19/54/1076151954.db2.gz	NJMXSPSBGUNDHJ-QGZVFWFLSA-N	1	1	414.506	1.968	20	0		HDADMO
CO[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C(F)(F)F	ZINC000733672386	1076153651	/nfs/dbraw/zinc/15/36/51/1076153651.db2.gz	VBQYECHDYPPLBM-AWEZNQCLSA-N	1	1	422.835	1.724	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1F	ZINC000727611376	1076180530	/nfs/dbraw/zinc/18/05/30/1076180530.db2.gz	RETOLTSLKVPWDP-STQMWFEESA-N	1	1	424.473	1.947	20	0		HDADMO
Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000727644962	1076198251	/nfs/dbraw/zinc/19/82/51/1076198251.db2.gz	RXKMRBHBHXODEZ-CYBMUJFWSA-N	1	1	415.338	1.943	20	0		HDADMO
COCC[N@H+](CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)CC(C)C	ZINC000733793532	1076199841	/nfs/dbraw/zinc/19/98/41/1076199841.db2.gz	HNLDIHUQUWRSNC-HXUWFJFHSA-N	1	1	406.483	1.098	20	0		HDADMO
COC(=O)[C@@H]1CC12CC[NH+](CN1C(=O)C(=O)N(CCC3=CCCCC3)C1=O)CC2	ZINC000733791857	1076208612	/nfs/dbraw/zinc/20/86/12/1076208612.db2.gz	FPROHPBUZYTUJS-INIZCTEOSA-N	1	1	403.479	1.900	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCc2oncc2C1	ZINC001545676868	1076213613	/nfs/dbraw/zinc/21/36/13/1076213613.db2.gz	LWMPTYUCYZZDHH-OAHLLOKOSA-N	1	1	401.515	1.682	20	0		HDADMO
CCOC[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1	ZINC000733796299	1076216102	/nfs/dbraw/zinc/21/61/02/1076216102.db2.gz	BWJQAYWZVIUIPO-QVKFZJNVSA-N	1	1	418.494	1.242	20	0		HDADMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1	ZINC000733796299	1076216106	/nfs/dbraw/zinc/21/61/06/1076216106.db2.gz	BWJQAYWZVIUIPO-QVKFZJNVSA-N	1	1	418.494	1.242	20	0		HDADMO
C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[N@@H+](C)C1CC1	ZINC000727742476	1076216451	/nfs/dbraw/zinc/21/64/51/1076216451.db2.gz	RULMWUJZABMAAM-CZUORRHYSA-N	1	1	421.519	1.223	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1	ZINC000733854005	1076230340	/nfs/dbraw/zinc/23/03/40/1076230340.db2.gz	ONKOSZPURWNFIJ-IAGOWNOFSA-N	1	1	411.510	1.714	20	0		HDADMO
CC[NH+]1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1	ZINC000057772230	1076232320	/nfs/dbraw/zinc/23/23/20/1076232320.db2.gz	UJSYRMBLSSAWSG-UHFFFAOYSA-N	1	1	408.296	1.989	20	0		HDADMO
C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000733856078	1076232405	/nfs/dbraw/zinc/23/24/05/1076232405.db2.gz	QMULMIRVJSOOTN-UHFFFAOYSA-N	1	1	406.490	1.839	20	0		HDADMO
C[C@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000530965094	1076237032	/nfs/dbraw/zinc/23/70/32/1076237032.db2.gz	DDXZOLQDBNAJHN-HKUYNNGSSA-N	1	1	400.523	1.588	20	0		HDADMO
C[C@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000530965094	1076237036	/nfs/dbraw/zinc/23/70/36/1076237036.db2.gz	DDXZOLQDBNAJHN-HKUYNNGSSA-N	1	1	400.523	1.588	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NCCCN2CCC[N@H+](C)CC2)cc1	ZINC000733882316	1076238390	/nfs/dbraw/zinc/23/83/90/1076238390.db2.gz	GYAXETMVZAQNDI-UHFFFAOYSA-N	1	1	402.568	1.686	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NCCC[N@H+]2CCCN(C)CC2)cc1	ZINC000733882316	1076238399	/nfs/dbraw/zinc/23/83/99/1076238399.db2.gz	GYAXETMVZAQNDI-UHFFFAOYSA-N	1	1	402.568	1.686	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1	ZINC000733882316	1076238404	/nfs/dbraw/zinc/23/84/04/1076238404.db2.gz	GYAXETMVZAQNDI-UHFFFAOYSA-N	1	1	402.568	1.686	20	0		HDADMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)Nc3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1	ZINC000532598255	1076238575	/nfs/dbraw/zinc/23/85/75/1076238575.db2.gz	HLOSWUKLSJQYRX-IYBDPMFKSA-N	1	1	405.543	1.924	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)C2)no1	ZINC000533127675	1076241642	/nfs/dbraw/zinc/24/16/42/1076241642.db2.gz	QGZHJSCCPNIEJN-IRXDYDNUSA-N	1	1	406.531	1.495	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(-n4cncn4)c(F)c3)C2)no1	ZINC000533269561	1076242655	/nfs/dbraw/zinc/24/26/55/1076242655.db2.gz	XKODYLUSJBHANX-INIZCTEOSA-N	1	1	413.457	1.975	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)C2)no1	ZINC000533269561	1076242659	/nfs/dbraw/zinc/24/26/59/1076242659.db2.gz	XKODYLUSJBHANX-INIZCTEOSA-N	1	1	413.457	1.975	20	0		HDADMO
CC(C)Cn1nccc1NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000533456625	1076243385	/nfs/dbraw/zinc/24/33/85/1076243385.db2.gz	OGXDVNJUCFULCU-CALCHBBNSA-N	1	1	405.543	1.825	20	0		HDADMO
O=C(CN1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1)N1CCCC1	ZINC000032771290	1076244204	/nfs/dbraw/zinc/24/42/04/1076244204.db2.gz	SVNUUCQHAJHCRJ-IFMALSPDSA-N	1	1	401.551	1.682	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)C2)no1	ZINC000533613427	1076244293	/nfs/dbraw/zinc/24/42/93/1076244293.db2.gz	XBIZBBKWMVKPHV-WMLDXEAASA-N	1	1	417.514	1.606	20	0		HDADMO
COCC(COC)[NH+]1CCN(C(=O)CN(CC(C)C)C(=O)OC(C)(C)C)CC1	ZINC001299318938	1076247745	/nfs/dbraw/zinc/24/77/45/1076247745.db2.gz	MMCDEKQIBLUXCG-UHFFFAOYSA-N	1	1	401.548	1.685	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1	ZINC000534559351	1076248751	/nfs/dbraw/zinc/24/87/51/1076248751.db2.gz	HZJBLXVDSGDHDW-SFHVURJKSA-N	1	1	419.507	1.018	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1	ZINC000534559351	1076248756	/nfs/dbraw/zinc/24/87/56/1076248756.db2.gz	HZJBLXVDSGDHDW-SFHVURJKSA-N	1	1	419.507	1.018	20	0		HDADMO
C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1	ZINC000733888545	1076250294	/nfs/dbraw/zinc/25/02/94/1076250294.db2.gz	GEZDXAJBCYUPKK-KKSFZXQISA-N	1	1	417.531	1.872	20	0		HDADMO
CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000535265370	1076250341	/nfs/dbraw/zinc/25/03/41/1076250341.db2.gz	IEQYTYSYATUPJR-GOSISDBHSA-N	1	1	402.520	1.923	20	0		HDADMO
CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535265370	1076250347	/nfs/dbraw/zinc/25/03/47/1076250347.db2.gz	IEQYTYSYATUPJR-GOSISDBHSA-N	1	1	402.520	1.923	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000536035087	1076254618	/nfs/dbraw/zinc/25/46/18/1076254618.db2.gz	FJQULPBZWPPKCU-VQTJNVASSA-N	1	1	400.523	1.003	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000536035087	1076254620	/nfs/dbraw/zinc/25/46/20/1076254620.db2.gz	FJQULPBZWPPKCU-VQTJNVASSA-N	1	1	400.523	1.003	20	0		HDADMO
CN(c1ncnc2c1c(Br)nn2C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000733893540	1076254874	/nfs/dbraw/zinc/25/48/74/1076254874.db2.gz	BMCHPRGXFHHYIJ-CYBMUJFWSA-N	1	1	408.348	1.731	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000144331245	1076256861	/nfs/dbraw/zinc/25/68/61/1076256861.db2.gz	BTLZHHSCMLJPQY-CABCVRRESA-N	1	1	402.944	1.977	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000144331245	1076256867	/nfs/dbraw/zinc/25/68/67/1076256867.db2.gz	BTLZHHSCMLJPQY-CABCVRRESA-N	1	1	402.944	1.977	20	0		HDADMO
NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1	ZINC000536858813	1076256934	/nfs/dbraw/zinc/25/69/34/1076256934.db2.gz	QEKIJTPFRQPHFN-UHFFFAOYSA-N	1	1	407.923	1.988	20	0		HDADMO
CCNC(=O)c1cccc(NC(=O)CN[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)c1	ZINC000733897023	1076258154	/nfs/dbraw/zinc/25/81/54/1076258154.db2.gz	HUVGFMFLOZCIEF-XMMPIXPASA-N	1	1	424.545	1.992	20	0		HDADMO
CCNC(=O)c1cccc(NC(=O)CN[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000733897023	1076258163	/nfs/dbraw/zinc/25/81/63/1076258163.db2.gz	HUVGFMFLOZCIEF-XMMPIXPASA-N	1	1	424.545	1.992	20	0		HDADMO
O=S(=O)(NCCN[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000733898343	1076259012	/nfs/dbraw/zinc/25/90/12/1076259012.db2.gz	QXCNQTDSMYXDIL-NRFANRHFSA-N	1	1	403.548	1.582	20	0		HDADMO
O=S(=O)(NCCN[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000733898343	1076259017	/nfs/dbraw/zinc/25/90/17/1076259017.db2.gz	QXCNQTDSMYXDIL-NRFANRHFSA-N	1	1	403.548	1.582	20	0		HDADMO
Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCCOC(=O)NC(N)=O)C2)cc1	ZINC000733899037	1076260085	/nfs/dbraw/zinc/26/00/85/1076260085.db2.gz	YNZMNJDVSXLENK-OAHLLOKOSA-N	1	1	412.512	1.180	20	0		HDADMO
COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000727828566	1076262836	/nfs/dbraw/zinc/26/28/36/1076262836.db2.gz	UVWSHJUELJASFK-CQSZACIVSA-N	1	1	403.932	1.837	20	0		HDADMO
COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000727828566	1076262840	/nfs/dbraw/zinc/26/28/40/1076262840.db2.gz	UVWSHJUELJASFK-CQSZACIVSA-N	1	1	403.932	1.837	20	0		HDADMO
C[N@H+](Cc1ccccc1)CC1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1	ZINC000727822722	1076267775	/nfs/dbraw/zinc/26/77/75/1076267775.db2.gz	LMNPLASFTDAYNN-UHFFFAOYSA-N	1	1	400.523	1.889	20	0		HDADMO
CC(C)[N@H+]1CCCN(Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)CC1	ZINC000727823181	1076268016	/nfs/dbraw/zinc/26/80/16/1076268016.db2.gz	CPHHYZVAAMSWPS-GOSISDBHSA-N	1	1	424.615	1.803	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1	ZINC000733974841	1076280104	/nfs/dbraw/zinc/28/01/04/1076280104.db2.gz	DLAIMNHWZYKITN-UHFFFAOYSA-N	1	1	404.511	1.856	20	0		HDADMO
Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc12	ZINC000733975410	1076280478	/nfs/dbraw/zinc/28/04/78/1076280478.db2.gz	UURPJBKSBXZULX-UHFFFAOYSA-N	1	1	406.490	1.623	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCCOc3cccnc3)c2)C1	ZINC000734010739	1076289310	/nfs/dbraw/zinc/28/93/10/1076289310.db2.gz	ICMYXALUPHCXFN-LJQANCHMSA-N	1	1	411.506	1.657	20	0		HDADMO
CCS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1	ZINC000727937676	1076289730	/nfs/dbraw/zinc/28/97/30/1076289730.db2.gz	NYHXSZSXWZBURA-UHFFFAOYSA-N	1	1	420.373	1.957	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)CC1	ZINC000727952520	1076296324	/nfs/dbraw/zinc/29/63/24/1076296324.db2.gz	NPUJBKQURMGZMT-UHFFFAOYSA-N	1	1	400.479	1.611	20	0		HDADMO
CCCOC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000728060062	1076314384	/nfs/dbraw/zinc/31/43/84/1076314384.db2.gz	NPPBHYDGCVEXSA-MRXNPFEDSA-N	1	1	411.524	1.119	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]21	ZINC001083151320	1076316802	/nfs/dbraw/zinc/31/68/02/1076316802.db2.gz	ULCRERAIVXTUIS-RTOMLYRKSA-N	1	1	400.519	1.582	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000728052648	1076320017	/nfs/dbraw/zinc/32/00/17/1076320017.db2.gz	ABZKGSPDQBVQOW-IBGZPJMESA-N	1	1	407.555	1.713	20	0		HDADMO
C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000728053054	1076321326	/nfs/dbraw/zinc/32/13/26/1076321326.db2.gz	GKRIDEQAWHWFSK-RXVVDRJESA-N	1	1	417.550	1.608	20	0		HDADMO
C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C[C@@H]1CCCO1	ZINC000728054926	1076322194	/nfs/dbraw/zinc/32/21/94/1076322194.db2.gz	FIUXYEZFYAZQTF-BMANGOCTSA-N	1	1	404.492	1.345	20	0		HDADMO
C[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C[C@@H]1CCCO1	ZINC000728054926	1076322202	/nfs/dbraw/zinc/32/22/02/1076322202.db2.gz	FIUXYEZFYAZQTF-BMANGOCTSA-N	1	1	404.492	1.345	20	0		HDADMO
CO[C@H]1CCC[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1	ZINC000728056394	1076323224	/nfs/dbraw/zinc/32/32/24/1076323224.db2.gz	STLBEEBHZZJHMM-HEUOVEHFSA-N	1	1	404.492	1.345	20	0		HDADMO
CO[C@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1	ZINC000728056394	1076323229	/nfs/dbraw/zinc/32/32/29/1076323229.db2.gz	STLBEEBHZZJHMM-HEUOVEHFSA-N	1	1	404.492	1.345	20	0		HDADMO
CC(=O)[C@@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)=NN1c1ccccc1	ZINC000728073101	1076333938	/nfs/dbraw/zinc/33/39/38/1076333938.db2.gz	PUTIORJDNRJGLM-UXHICEINSA-N	1	1	413.522	1.269	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)C1	ZINC000728078319	1076334756	/nfs/dbraw/zinc/33/47/56/1076334756.db2.gz	YNYSUBSHWGAQJM-CYBMUJFWSA-N	1	1	405.499	1.617	20	0		HDADMO
CCOc1ccc(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1	ZINC000728078111	1076334890	/nfs/dbraw/zinc/33/48/90/1076334890.db2.gz	STKMZFALZWLBDV-IAGOWNOFSA-N	1	1	416.522	1.142	20	0		HDADMO
CCc1noc2ncc(C(=O)OCC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc12	ZINC000728103645	1076340654	/nfs/dbraw/zinc/34/06/54/1076340654.db2.gz	QOAFNXKQUWNODO-OAHLLOKOSA-N	1	1	404.467	1.415	20	0		HDADMO
CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1	ZINC000498003955	1076353283	/nfs/dbraw/zinc/35/32/83/1076353283.db2.gz	YUDXYUUKQKKWOA-CABCVRRESA-N	1	1	401.385	1.527	20	0		HDADMO
CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1	ZINC000498003955	1076353286	/nfs/dbraw/zinc/35/32/86/1076353286.db2.gz	YUDXYUUKQKKWOA-CABCVRRESA-N	1	1	401.385	1.527	20	0		HDADMO
Cc1cccc(OCC[N@@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1	ZINC000027374277	1076359545	/nfs/dbraw/zinc/35/95/45/1076359545.db2.gz	JZIGLZHMAPTBKB-UHFFFAOYSA-N	1	1	403.504	1.542	20	0		HDADMO
Cc1cccc(OCC[N@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1	ZINC000027374277	1076359548	/nfs/dbraw/zinc/35/95/48/1076359548.db2.gz	JZIGLZHMAPTBKB-UHFFFAOYSA-N	1	1	403.504	1.542	20	0		HDADMO
CNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1	ZINC000028791384	1076361867	/nfs/dbraw/zinc/36/18/67/1076361867.db2.gz	UZZXLKGCPNYALI-UHFFFAOYSA-N	1	1	415.559	1.914	20	0		HDADMO
C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000728173900	1076364785	/nfs/dbraw/zinc/36/47/85/1076364785.db2.gz	XTTOGTPMTWSVBZ-LSDHHAIUSA-N	1	1	420.514	1.157	20	0		HDADMO
C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000728173900	1076364792	/nfs/dbraw/zinc/36/47/92/1076364792.db2.gz	XTTOGTPMTWSVBZ-LSDHHAIUSA-N	1	1	420.514	1.157	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@H+](CCN3C(=O)c4ccccc4C3=O)C[C@H]21	ZINC001084531370	1076368526	/nfs/dbraw/zinc/36/85/26/1076368526.db2.gz	HIMFZGPAPJVXOL-GAQVFZABSA-N	1	1	421.497	1.239	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@@H+](CCN3C(=O)c4ccccc4C3=O)C[C@H]21	ZINC001084531370	1076368532	/nfs/dbraw/zinc/36/85/32/1076368532.db2.gz	HIMFZGPAPJVXOL-GAQVFZABSA-N	1	1	421.497	1.239	20	0		HDADMO
COc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1	ZINC001084540438	1076370373	/nfs/dbraw/zinc/37/03/73/1076370373.db2.gz	CKEHCFIHYFZZRZ-ZFIVIKDTSA-N	1	1	404.482	1.919	20	0		HDADMO
COc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1	ZINC001084540438	1076370383	/nfs/dbraw/zinc/37/03/83/1076370383.db2.gz	CKEHCFIHYFZZRZ-ZFIVIKDTSA-N	1	1	404.482	1.919	20	0		HDADMO
C[C@H](Cc1ccc(F)cc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729980183	1076405148	/nfs/dbraw/zinc/40/51/48/1076405148.db2.gz	LLDAHWPNLVQYQI-GOSISDBHSA-N	1	1	418.557	1.701	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)C1	ZINC000729984247	1076407524	/nfs/dbraw/zinc/40/75/24/1076407524.db2.gz	YEDJGBKXZIMTMX-QGZVFWFLSA-N	1	1	422.485	1.932	20	0		HDADMO
CCOCC[NH+]1CCN(CC2=NC(=O)N[C@@H](c3ccccc3)C2C(=O)OCC)CC1	ZINC000729994853	1076410025	/nfs/dbraw/zinc/41/00/25/1076410025.db2.gz	MBZWYXPXHAXQBP-FQEVSTJZSA-N	1	1	416.522	1.512	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1)[NH+]1CCOCC1	ZINC000730088691	1076442294	/nfs/dbraw/zinc/44/22/94/1076442294.db2.gz	CJIJRBKMOVDSOX-HNNXBMFYSA-N	1	1	416.503	1.516	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730115324	1076462666	/nfs/dbraw/zinc/46/26/66/1076462666.db2.gz	IZZGRJHHECUQTO-OAHLLOKOSA-N	1	1	411.547	1.143	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1	ZINC000730227342	1076485155	/nfs/dbraw/zinc/48/51/55/1076485155.db2.gz	CHMWXFZECANAOB-INIZCTEOSA-N	1	1	423.521	1.206	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[NH+]3CCC(CNC(C)=O)CC3)C2=O)cc1	ZINC000730254188	1076499907	/nfs/dbraw/zinc/49/99/07/1076499907.db2.gz	WWOWBXSWYDHVJK-NRFANRHFSA-N	1	1	402.495	1.354	20	0		HDADMO
COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000730286736	1076514445	/nfs/dbraw/zinc/51/44/45/1076514445.db2.gz	WQHDCCZTKPKHJU-OAHLLOKOSA-N	1	1	418.567	1.385	20	0		HDADMO
Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC1CC[NH+](CC(N)=O)CC1	ZINC000730274352	1076517627	/nfs/dbraw/zinc/51/76/27/1076517627.db2.gz	OTCARXXCLCHNNX-UHFFFAOYSA-N	1	1	411.550	1.855	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1	ZINC000730310872	1076525714	/nfs/dbraw/zinc/52/57/14/1076525714.db2.gz	MNNVKNMLUOSKNT-CRAIPNDOSA-N	1	1	405.520	1.356	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000730310487	1076526187	/nfs/dbraw/zinc/52/61/87/1076526187.db2.gz	JIRQSYBUZCNJQN-SFHVURJKSA-N	1	1	405.520	1.104	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cn1	ZINC000730390574	1076572114	/nfs/dbraw/zinc/57/21/14/1076572114.db2.gz	HUFUSSOZOZXFPU-OAHLLOKOSA-N	1	1	414.466	1.640	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000730559714	1076595102	/nfs/dbraw/zinc/59/51/02/1076595102.db2.gz	JQDYTVQVFRRLLY-IRXDYDNUSA-N	1	1	412.600	1.925	20	0		HDADMO
CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1	ZINC000730561495	1076603049	/nfs/dbraw/zinc/60/30/49/1076603049.db2.gz	GSYHDKMTDSBVQM-SFHVURJKSA-N	1	1	424.567	1.111	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000730561509	1076603783	/nfs/dbraw/zinc/60/37/83/1076603783.db2.gz	GWTSWJBSNANILY-DXAMHKDYSA-N	1	1	409.538	1.608	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)CC1	ZINC000730663640	1076633760	/nfs/dbraw/zinc/63/37/60/1076633760.db2.gz	QQNXZWHKKXALGW-UHFFFAOYSA-N	1	1	404.515	1.141	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@@H]2C)C1	ZINC000730789594	1076658837	/nfs/dbraw/zinc/65/88/37/1076658837.db2.gz	PWOHHIQFBHRNHR-KKUMJFAQSA-N	1	1	405.495	1.749	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000730825968	1076663064	/nfs/dbraw/zinc/66/30/64/1076663064.db2.gz	SYOAKRHAPLHGOW-GDBMZVCRSA-N	1	1	416.444	1.625	20	0		HDADMO
C[N@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C[C@@H]1CCCOC1	ZINC000730808090	1076665817	/nfs/dbraw/zinc/66/58/17/1076665817.db2.gz	BEKBKZNQGVVCNI-LAUBAEHRSA-N	1	1	402.495	1.319	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1	ZINC000730841936	1076671104	/nfs/dbraw/zinc/67/11/04/1076671104.db2.gz	SBFQZIXIRPLYRP-WMZHIEFXSA-N	1	1	424.501	1.444	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1	ZINC000730936558	1076696460	/nfs/dbraw/zinc/69/64/60/1076696460.db2.gz	MMASGKFRKWBNAD-OAHLLOKOSA-N	1	1	404.536	1.306	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1	ZINC000730938269	1076698082	/nfs/dbraw/zinc/69/80/82/1076698082.db2.gz	WLRMSQSRONDQSI-UHFFFAOYSA-N	1	1	421.950	1.917	20	0		HDADMO
COC(=O)CCCNC(=S)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000730949328	1076700127	/nfs/dbraw/zinc/70/01/27/1076700127.db2.gz	CPSLAUNGOCNOIM-QGZVFWFLSA-N	1	1	406.552	1.301	20	0		HDADMO
Cc1cc2nc(C)cc(C(=O)NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)n2n1	ZINC000730971183	1076701986	/nfs/dbraw/zinc/70/19/86/1076701986.db2.gz	SLYDXQZHICSUNV-IBGZPJMESA-N	1	1	420.517	1.973	20	0		HDADMO
COC(=O)N[C@H](C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)C(C)C	ZINC000731005196	1076704043	/nfs/dbraw/zinc/70/40/43/1076704043.db2.gz	WFIVRNAQSOOYMQ-SFHVURJKSA-N	1	1	403.483	1.757	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C	ZINC000731007187	1076709184	/nfs/dbraw/zinc/70/91/84/1076709184.db2.gz	IQHOVVUHNKIEFO-MCRQTXEHSA-N	1	1	400.483	1.215	20	0		HDADMO
CC(C)(C)OC(=O)NCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000731008935	1076710453	/nfs/dbraw/zinc/71/04/53/1076710453.db2.gz	XOFUHPFOKZTACB-QGZVFWFLSA-N	1	1	404.511	1.525	20	0		HDADMO
CSCC[C@@H]1NC(=S)N(Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1=O	ZINC000731041756	1076716901	/nfs/dbraw/zinc/71/69/01/1076716901.db2.gz	UKIHMYVZABWZNC-SJORKVTESA-N	1	1	420.604	1.722	20	0		HDADMO
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000731135343	1076737623	/nfs/dbraw/zinc/73/76/23/1076737623.db2.gz	YQULXDLRAVEWDU-LBPRGKRZSA-N	1	1	401.435	1.222	20	0		HDADMO
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000731135343	1076737626	/nfs/dbraw/zinc/73/76/26/1076737626.db2.gz	YQULXDLRAVEWDU-LBPRGKRZSA-N	1	1	401.435	1.222	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1	ZINC000731159062	1076739222	/nfs/dbraw/zinc/73/92/22/1076739222.db2.gz	CKHLZCVNODDKRX-IPMKNSEASA-N	1	1	409.644	1.658	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)CC1	ZINC000731179465	1076745154	/nfs/dbraw/zinc/74/51/54/1076745154.db2.gz	IUAKCVIKUBSEAN-FQEVSTJZSA-N	1	1	413.518	1.561	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C)nc4cc(C)nn43)CC2)CC1	ZINC000731181001	1076745431	/nfs/dbraw/zinc/74/54/31/1076745431.db2.gz	ZDPRSGKMSPXELZ-UHFFFAOYSA-N	1	1	412.538	1.753	20	0		HDADMO
Cn1cc(/C=C\C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)c(=O)n(C)c1=O	ZINC000731198830	1076751539	/nfs/dbraw/zinc/75/15/39/1076751539.db2.gz	IWNNJSQMIXECCS-HJWRWDBZSA-N	1	1	418.538	1.027	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3cccnc3c2N)C1	ZINC000731246668	1076768542	/nfs/dbraw/zinc/76/85/42/1076768542.db2.gz	TXZUCNFMMCBMSD-INIZCTEOSA-N	1	1	400.479	1.447	20	0		HDADMO
C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1	ZINC001176588562	1126149812	/nfs/dbraw/zinc/14/98/12/1126149812.db2.gz	STXWJWGLEVXHDE-IBGZPJMESA-N	1	1	419.482	1.288	20	0		HDADMO
CN(C)c1nc(N)nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1	ZINC001460423843	1126191117	/nfs/dbraw/zinc/19/11/17/1126191117.db2.gz	QIJLHGQHDBPUQO-QGZVFWFLSA-N	1	1	407.316	1.292	20	0		HDADMO
COc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(S(C)(=O)=O)n1	ZINC001164623654	719079823	/nfs/dbraw/zinc/07/98/23/719079823.db2.gz	KDQZNJWVFHBDIR-IRXDYDNUSA-N	1	1	402.520	1.990	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(C(N)=O)cc4ccccc43)CC2)C1=O	ZINC001164644262	719281154	/nfs/dbraw/zinc/28/11/54/719281154.db2.gz	GAZAEJYYWFXCFA-UHFFFAOYSA-N	1	1	411.506	1.093	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(N)=O)cc4ccccc43)CC2)C1=O	ZINC001164644262	719281160	/nfs/dbraw/zinc/28/11/60/719281160.db2.gz	GAZAEJYYWFXCFA-UHFFFAOYSA-N	1	1	411.506	1.093	20	0		HDADMO
Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1	ZINC001164668922	719375027	/nfs/dbraw/zinc/37/50/27/719375027.db2.gz	OWBFOXIBDGFGLF-MSOLQXFVSA-N	1	1	413.503	1.496	20	0		HDADMO
CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)nc2N1C1CCCC1	ZINC001164667656	719393445	/nfs/dbraw/zinc/39/34/45/719393445.db2.gz	OJQBKBHHYYYXSL-KBAYOESNSA-N	1	1	400.527	1.500	20	0		HDADMO
Cn1ncc2c1CN(c1ccnc(N3CC[NH+](C)CC3)n1)C[C@H]2COc1cccnc1	ZINC001164686188	719600155	/nfs/dbraw/zinc/60/01/55/719600155.db2.gz	OHCOVAAFHWUAKG-KRWDZBQOSA-N	1	1	420.521	1.540	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2	ZINC001164687321	719725308	/nfs/dbraw/zinc/72/53/08/719725308.db2.gz	VZGKBQOLORSRRI-UHFFFAOYSA-N	1	1	409.538	1.785	20	0		HDADMO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)ccc1S(C)(=O)=O)CC2	ZINC001164689332	719736079	/nfs/dbraw/zinc/73/60/79/719736079.db2.gz	BFYASNGCSHUBAM-UHFFFAOYSA-N	1	1	400.932	1.319	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)ccc1S(C)(=O)=O)CC2	ZINC001164689332	719736086	/nfs/dbraw/zinc/73/60/86/719736086.db2.gz	BFYASNGCSHUBAM-UHFFFAOYSA-N	1	1	400.932	1.319	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2	ZINC001164687618	719738089	/nfs/dbraw/zinc/73/80/89/719738089.db2.gz	ZVAOSQPAJFLVFV-UHFFFAOYSA-N	1	1	415.872	1.560	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2	ZINC001164689841	719739485	/nfs/dbraw/zinc/73/94/85/719739485.db2.gz	LKGAELLOYCPZTM-UHFFFAOYSA-N	1	1	412.494	1.811	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2	ZINC001164690126	719756187	/nfs/dbraw/zinc/75/61/87/719756187.db2.gz	UCNCYEWQGKTPJG-AWEZNQCLSA-N	1	1	409.918	1.479	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2nc(Cl)ccc21	ZINC001164707123	719844525	/nfs/dbraw/zinc/84/45/25/719844525.db2.gz	ZLCVNKZGCISBRM-ORAYPTAESA-N	1	1	405.886	1.911	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1)C1CC1	ZINC001164701606	719884644	/nfs/dbraw/zinc/88/46/44/719884644.db2.gz	NWDXAYNQCKYEKP-NEWSRXKRSA-N	1	1	408.506	1.803	20	0		HDADMO
NS(=O)(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164694598	719887775	/nfs/dbraw/zinc/88/77/75/719887775.db2.gz	AOYQSQZULWOOJL-UHFFFAOYSA-N	1	1	408.549	1.662	20	0		HDADMO
NS(=O)(=O)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164694598	719887776	/nfs/dbraw/zinc/88/77/76/719887776.db2.gz	AOYQSQZULWOOJL-UHFFFAOYSA-N	1	1	408.549	1.662	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)N3CCOCC3)cn1)C2	ZINC001164813184	720075729	/nfs/dbraw/zinc/07/57/29/720075729.db2.gz	SXIDBRNHDFCFBZ-OFNKIYASSA-N	1	1	414.550	1.739	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2	ZINC001164814141	720096457	/nfs/dbraw/zinc/09/64/57/720096457.db2.gz	VOLCLEXMMKCYBX-YWZLYKJASA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)C2	ZINC001164814141	720096460	/nfs/dbraw/zinc/09/64/60/720096460.db2.gz	VOLCLEXMMKCYBX-YWZLYKJASA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)C2	ZINC001164814141	720096464	/nfs/dbraw/zinc/09/64/64/720096464.db2.gz	VOLCLEXMMKCYBX-YWZLYKJASA-N	1	1	419.551	1.546	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(Cl)cc1C(N)=O)CCC2	ZINC001164815247	720213698	/nfs/dbraw/zinc/21/36/98/720213698.db2.gz	XVLJSVPJARFJTJ-UHFFFAOYSA-N	1	1	404.902	1.641	20	0		HDADMO
CCOC(=O)/C=C\c1cccnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2	ZINC001164719648	720216969	/nfs/dbraw/zinc/21/69/69/720216969.db2.gz	RXWDHFIOIPSCEM-RHVSLNNASA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)/C=C\c1cccnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2	ZINC001164719648	720216976	/nfs/dbraw/zinc/21/69/76/720216976.db2.gz	RXWDHFIOIPSCEM-RHVSLNNASA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(C)c1	ZINC001164720548	720231175	/nfs/dbraw/zinc/23/11/75/720231175.db2.gz	YFQUMZBZVPKWLF-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(C)c1	ZINC001164720548	720231185	/nfs/dbraw/zinc/23/11/85/720231185.db2.gz	YFQUMZBZVPKWLF-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1C(C)(C)C(=O)N3)CCC2	ZINC001164813225	720234584	/nfs/dbraw/zinc/23/45/84/720234584.db2.gz	LNJNFACSSRSOIY-UHFFFAOYSA-N	1	1	411.510	1.514	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4c3CCCC4)C2)C1	ZINC001164720464	720241068	/nfs/dbraw/zinc/24/10/68/720241068.db2.gz	WLFYQKOWBBKCTK-FQEVSTJZSA-N	1	1	407.946	1.674	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4c3CCCC4)C2)C1	ZINC001164720464	720241070	/nfs/dbraw/zinc/24/10/70/720241070.db2.gz	WLFYQKOWBBKCTK-FQEVSTJZSA-N	1	1	407.946	1.674	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1	ZINC001164817712	720241280	/nfs/dbraw/zinc/24/12/80/720241280.db2.gz	UJOXWVGIWRMLMQ-UHFFFAOYSA-N	1	1	409.498	1.173	20	0		HDADMO
CCOC(=O)/C=C\c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1	ZINC001164720658	720266580	/nfs/dbraw/zinc/26/65/80/720266580.db2.gz	BVVLGGLIISTZAV-IOOHMRRSSA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)/C=C\c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1	ZINC001164720658	720266595	/nfs/dbraw/zinc/26/65/95/720266595.db2.gz	BVVLGGLIISTZAV-IOOHMRRSSA-N	1	1	416.522	1.323	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(F)c(OC)cc43)C2)C1	ZINC001164721488	720268636	/nfs/dbraw/zinc/26/86/36/720268636.db2.gz	JXMURTPZUVUYOH-NRFANRHFSA-N	1	1	417.485	1.442	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(F)c(OC)cc43)C2)C1	ZINC001164721488	720268644	/nfs/dbraw/zinc/26/86/44/720268644.db2.gz	JXMURTPZUVUYOH-NRFANRHFSA-N	1	1	417.485	1.442	20	0		HDADMO
CCOCc1cnc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2	ZINC001164723225	720274106	/nfs/dbraw/zinc/27/41/06/720274106.db2.gz	UWGHYVDSGKIWDF-LJQANCHMSA-N	1	1	411.934	1.331	20	0		HDADMO
CCOCc1cnc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2	ZINC001164723225	720274120	/nfs/dbraw/zinc/27/41/20/720274120.db2.gz	UWGHYVDSGKIWDF-LJQANCHMSA-N	1	1	411.934	1.331	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CNCC3)CC1	ZINC001164819490	720289742	/nfs/dbraw/zinc/28/97/42/720289742.db2.gz	QXOMBABMJKLEER-ROUUACIJSA-N	1	1	418.973	1.687	20	0		HDADMO
Cn1cnc2c1nc(N1CC[C@H]3[C@H]1CC[N@H+]3Cc1cccnc1)nc2N1CCOCC1	ZINC001164727861	720361013	/nfs/dbraw/zinc/36/10/13/720361013.db2.gz	UQXUYBMKNFKTFE-ZWKOTPCHSA-N	1	1	420.521	1.448	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(S(N)(=O)=O)cn3)CC[C@@H]21	ZINC001164834269	720533970	/nfs/dbraw/zinc/53/39/70/720533970.db2.gz	DFLKNODLXHMISL-BQFCYCMXSA-N	1	1	404.540	1.303	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4nc[nH]c4c(N(C)C)n3)CC[C@@H]21	ZINC001164835449	720561073	/nfs/dbraw/zinc/56/10/73/720561073.db2.gz	HJMRCEBCMMVVQP-ULQDDVLXSA-N	1	1	409.542	1.993	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164840209	720568770	/nfs/dbraw/zinc/56/87/70/720568770.db2.gz	SDWFOCFEKREXAX-OKZBNKHCSA-N	1	1	418.567	1.564	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164742990	720611986	/nfs/dbraw/zinc/61/19/86/720611986.db2.gz	NWTQUUFQBZKRJK-CHWSQXEVSA-N	1	1	404.858	1.439	20	0		HDADMO
COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC	ZINC001164743646	720644989	/nfs/dbraw/zinc/64/49/89/720644989.db2.gz	PXEWSKUNXAWTQI-HUUCEWRRSA-N	1	1	408.462	1.779	20	0		HDADMO
COC(=O)c1cc2ccncc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741083	720710273	/nfs/dbraw/zinc/71/02/73/720710273.db2.gz	SPWDHOREMDGUPI-JKSUJKDBSA-N	1	1	406.446	1.548	20	0		HDADMO
O=C1NCc2c1c(N1CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C1)nc(Cl)c2F	ZINC001164739287	720711591	/nfs/dbraw/zinc/71/15/91/720711591.db2.gz	MTGDFEQYSLWZDF-WDEREUQCSA-N	1	1	404.833	1.249	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739028	720748234	/nfs/dbraw/zinc/74/82/34/720748234.db2.gz	HRZOOKHZVAHRLW-RYUDHWBXSA-N	1	1	424.839	1.511	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739028	720748239	/nfs/dbraw/zinc/74/82/39/720748239.db2.gz	HRZOOKHZVAHRLW-RYUDHWBXSA-N	1	1	424.839	1.511	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)n2)CC1	ZINC001164846119	720778545	/nfs/dbraw/zinc/77/85/45/720778545.db2.gz	HNHCVQLQIUHKGA-HKBOAZHASA-N	1	1	424.549	1.967	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@H]43)c2)CC1	ZINC001164848203	720804646	/nfs/dbraw/zinc/80/46/46/720804646.db2.gz	PECDNVRTSRPBIZ-HSALFYBXSA-N	1	1	400.523	1.675	20	0		HDADMO
COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164752063	720805000	/nfs/dbraw/zinc/80/50/00/720805000.db2.gz	YMFPEYWMKIIGAN-MGPQQGTHSA-N	1	1	418.885	1.538	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1	ZINC001164742168	720812062	/nfs/dbraw/zinc/81/20/62/720812062.db2.gz	CJXGTAFWKSNSDR-YESZJQIVSA-N	1	1	415.929	1.805	20	0		HDADMO
CS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164740253	720820944	/nfs/dbraw/zinc/82/09/44/720820944.db2.gz	JWOMVYIIBVPASN-KZNAEPCWSA-N	1	1	416.551	1.456	20	0		HDADMO
NC(=O)c1ncc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164737980	720822924	/nfs/dbraw/zinc/82/29/24/720822924.db2.gz	CVXVEFIYXSPPRL-RRFJBIMHSA-N	1	1	416.917	1.200	20	0		HDADMO
O=C1COc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2N1	ZINC001164738028	720827963	/nfs/dbraw/zinc/82/79/63/720827963.db2.gz	DOXFIRCJZQBSIU-XYJFISCASA-N	1	1	409.494	1.383	20	0		HDADMO
CN(C)c1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2nc[nH]c21	ZINC001164748258	720834862	/nfs/dbraw/zinc/83/48/62/720834862.db2.gz	SUVOCBFXGCGSGT-BRWVUGGUSA-N	1	1	422.541	1.390	20	0		HDADMO
c1cn(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cn1	ZINC001164748946	720837312	/nfs/dbraw/zinc/83/73/12/720837312.db2.gz	VDKZCHIVSONTLA-IPMKNSEASA-N	1	1	405.510	1.633	20	0		HDADMO
c1cn(-c2cncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cn1	ZINC001164747393	720838732	/nfs/dbraw/zinc/83/87/32/720838732.db2.gz	QMAGQDVXSMQAPT-CEXWTWQISA-N	1	1	405.510	1.633	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc4c(cccc4C(=O)OC)n3)CC[C@@H]2C1	ZINC001164850126	720846470	/nfs/dbraw/zinc/84/64/70/720846470.db2.gz	DKZMZUPAHWIXFP-BEFAXECRSA-N	1	1	400.479	1.590	20	0		HDADMO
CCn1cnc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164746610	720847989	/nfs/dbraw/zinc/84/79/89/720847989.db2.gz	PNFDKWOHOCMGFH-FGTMMUONSA-N	1	1	407.526	1.817	20	0		HDADMO
CN(C)C(=O)c1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164739967	720849635	/nfs/dbraw/zinc/84/96/35/720849635.db2.gz	BEPSHDGYQKTAIF-YQVWRLOYSA-N	1	1	410.526	1.149	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164750371	720852791	/nfs/dbraw/zinc/85/27/91/720852791.db2.gz	PPAFNPOZQNLDKC-XKGZKEIXSA-N	1	1	422.537	1.340	20	0		HDADMO
CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1	ZINC001164856668	720854691	/nfs/dbraw/zinc/85/46/91/720854691.db2.gz	OVJPJMTWKJQYNV-SJLPKXTDSA-N	1	1	404.511	1.704	20	0		HDADMO
COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c1ccn2C	ZINC001164744031	720858586	/nfs/dbraw/zinc/85/85/86/720858586.db2.gz	BHEUPBGBMOXCHG-JENIJYKNSA-N	1	1	422.537	1.948	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164853015	720869931	/nfs/dbraw/zinc/86/99/31/720869931.db2.gz	GAZXNACVPOBKPT-NVXWUHKLSA-N	1	1	417.510	1.319	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)[nH]cc1-2	ZINC001164854900	720871657	/nfs/dbraw/zinc/87/16/57/720871657.db2.gz	GGBAHTHHCHWQIA-KXBFYZLASA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)[nH]cc1-2	ZINC001164854900	720871659	/nfs/dbraw/zinc/87/16/59/720871659.db2.gz	GGBAHTHHCHWQIA-KXBFYZLASA-N	1	1	402.495	1.913	20	0		HDADMO
NC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1	ZINC001164747903	720878756	/nfs/dbraw/zinc/87/87/56/720878756.db2.gz	CGBJOEONFKDWLE-WMZHIEFXSA-N	1	1	422.533	1.726	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CC[C@H]2C1	ZINC001164864619	720882802	/nfs/dbraw/zinc/88/28/02/720882802.db2.gz	WDYWXIAJHDCAMU-HKUYNNGSSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(OC)nc(Cl)n3)CC[C@@H]2C1	ZINC001164860566	720890874	/nfs/dbraw/zinc/89/08/74/720890874.db2.gz	OXBGTUUQEAVXOO-CHWSQXEVSA-N	1	1	406.861	1.857	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164871419	721047630	/nfs/dbraw/zinc/04/76/30/721047630.db2.gz	YQOMOAZKHASDKU-GJZGRUSLSA-N	1	1	403.870	1.791	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164864869	721092815	/nfs/dbraw/zinc/09/28/15/721092815.db2.gz	GZNXXSPOMRTZFS-HUUCEWRRSA-N	1	1	403.870	1.791	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C	ZINC001164866654	721093028	/nfs/dbraw/zinc/09/30/28/721093028.db2.gz	UNZNLTGTSQQPNA-DJIMGWMZSA-N	1	1	409.494	1.128	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164867828	721188277	/nfs/dbraw/zinc/18/82/77/721188277.db2.gz	IIXLULNQAFGNMF-HUUCEWRRSA-N	1	1	402.886	1.364	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@H]3C2)cn1	ZINC001164767551	721203639	/nfs/dbraw/zinc/20/36/39/721203639.db2.gz	JZLULYFLXSZXRS-IAGOWNOFSA-N	1	1	416.551	1.214	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C(=O)NC5CCCC5)nn4)C[C@@H]3C2)cn1	ZINC001164768309	721219001	/nfs/dbraw/zinc/21/90/01/721219001.db2.gz	KURPYBKAIPQHLZ-MSOLQXFVSA-N	1	1	409.538	1.841	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@H]3C2)cn1	ZINC001164767234	721237435	/nfs/dbraw/zinc/23/74/35/721237435.db2.gz	WKKPCAHCSCDROS-JKSUJKDBSA-N	1	1	401.946	1.810	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)C[C@H]3C2)cn1	ZINC001164762806	721244467	/nfs/dbraw/zinc/24/44/67/721244467.db2.gz	LIZCCQQSDOKNAG-ZACQAIPSSA-N	1	1	418.929	1.990	20	0		HDADMO
COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(F)c1	ZINC001164868546	721270132	/nfs/dbraw/zinc/27/01/32/721270132.db2.gz	BHZZICBMZUHSTG-UHFFFAOYSA-N	1	1	408.474	1.014	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4nc[nH]c4cc3Cl)CC2)C1	ZINC001164875923	721277881	/nfs/dbraw/zinc/27/78/81/721277881.db2.gz	ZNBSSXSDDSQLKC-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4[nH]cnc4cc3Cl)CC2)C1	ZINC001164875923	721277889	/nfs/dbraw/zinc/27/78/89/721277889.db2.gz	ZNBSSXSDDSQLKC-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4[nH]cnc4cc3Cl)CC2)C1	ZINC001164875923	721277893	/nfs/dbraw/zinc/27/78/93/721277893.db2.gz	ZNBSSXSDDSQLKC-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
c1c(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc(N2CCOCC2)nc1N1CCOCC1	ZINC001164770714	721282680	/nfs/dbraw/zinc/28/26/80/721282680.db2.gz	XRKSKCSUQZEZRT-UHFFFAOYSA-N	1	1	414.554	1.072	20	0		HDADMO
Cc1noc(-c2ccnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2)n1	ZINC001164875863	721287479	/nfs/dbraw/zinc/28/74/79/721287479.db2.gz	HSTIZNBRXNCBJZ-UHFFFAOYSA-N	1	1	414.510	1.447	20	0		HDADMO
C[C@H]1CCc2nnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)cc2C1	ZINC001164873801	721289686	/nfs/dbraw/zinc/28/96/86/721289686.db2.gz	AWLLTVNMCZDBBY-KRWDZBQOSA-N	1	1	401.555	1.608	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)n2)CC1	ZINC001164880310	721318953	/nfs/dbraw/zinc/31/89/53/721318953.db2.gz	XBZBGQCMKIXAOS-LJQANCHMSA-N	1	1	406.534	1.729	20	0		HDADMO
COC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1	ZINC001164778176	721339483	/nfs/dbraw/zinc/33/94/83/721339483.db2.gz	JYTCKOSAWXFWEM-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1	ZINC001164778176	721339486	/nfs/dbraw/zinc/33/94/86/721339486.db2.gz	JYTCKOSAWXFWEM-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C(N)=O	ZINC001164885058	721385076	/nfs/dbraw/zinc/38/50/76/721385076.db2.gz	CFRBGOPYDNRJAS-IERDGZPVSA-N	1	1	421.973	1.908	20	0		HDADMO
COc1cnc(SC)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164894643	721385826	/nfs/dbraw/zinc/38/58/26/721385826.db2.gz	ZPIKSRUCOUUDMU-UZLBHIALSA-N	1	1	407.584	1.973	20	0		HDADMO
COc1cnc(SC)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164894642	721386180	/nfs/dbraw/zinc/38/61/80/721386180.db2.gz	ZPIKSRUCOUUDMU-OXQOHEQNSA-N	1	1	407.584	1.973	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Cl)n4)C3)O2)CC1	ZINC001164891547	721397168	/nfs/dbraw/zinc/39/71/68/721397168.db2.gz	QIPAUPSOMMJUCK-SUMWQHHRSA-N	1	1	401.342	1.944	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4COC5)C3)O2)CC1	ZINC001164889807	721398304	/nfs/dbraw/zinc/39/83/04/721398304.db2.gz	MKGXBHIPPPIBMJ-QRWLVFNGSA-N	1	1	407.946	1.926	20	0		HDADMO
CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890548	721398323	/nfs/dbraw/zinc/39/83/23/721398323.db2.gz	OCCFCXMPEPWKCC-XMSQKQJNSA-N	1	1	417.554	1.727	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164892132	721399699	/nfs/dbraw/zinc/39/96/99/721399699.db2.gz	RSNLYHUVECLFLY-VGSWGCGISA-N	1	1	418.538	1.642	20	0		HDADMO
Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164892006	721401991	/nfs/dbraw/zinc/40/19/91/721401991.db2.gz	XWQMVMXIRSMKTP-QRWLVFNGSA-N	1	1	419.961	1.782	20	0		HDADMO
CN(C)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164884632	721415791	/nfs/dbraw/zinc/41/57/91/721415791.db2.gz	FGQWICROAZQFJP-OXJNMPFZSA-N	1	1	408.978	1.961	20	0		HDADMO
CNC(=O)c1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1Cl	ZINC001164889803	721420609	/nfs/dbraw/zinc/42/06/09/721420609.db2.gz	RMFKXUGQVLOENN-KKSFZXQISA-N	1	1	421.973	1.860	20	0		HDADMO
CC(C)c1nc(N(C)C)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164888300	721420700	/nfs/dbraw/zinc/42/07/00/721420700.db2.gz	NYVVZDODTONKHZ-XMSQKQJNSA-N	1	1	417.602	1.826	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc5c4CNC5=O)C3)O2)CC1	ZINC001164888290	721421071	/nfs/dbraw/zinc/42/10/71/721421071.db2.gz	NYVUEFWNPZCIRZ-YCRPNKLZSA-N	1	1	419.957	1.744	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5C4CC4)C3)O2)CC1	ZINC001164888666	721436928	/nfs/dbraw/zinc/43/69/28/721436928.db2.gz	ABCKCQOUCGIYBH-AVRDEDQJSA-N	1	1	411.554	1.927	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC5CC5)nn4)C3)O2)CC1	ZINC001164899439	721441062	/nfs/dbraw/zinc/44/10/62/721441062.db2.gz	YLPDWOQNPAVPBX-PGRDOPGGSA-N	1	1	414.554	1.134	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC5CC5)nn4)C3)O2)CC1	ZINC001164899441	721441544	/nfs/dbraw/zinc/44/15/44/721441544.db2.gz	YLPDWOQNPAVPBX-XMSQKQJNSA-N	1	1	414.554	1.134	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164897188	721442021	/nfs/dbraw/zinc/44/20/21/721442021.db2.gz	SQELMDQODCJEJB-UGKGYDQZSA-N	1	1	417.554	1.480	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164897146	721442153	/nfs/dbraw/zinc/44/21/53/721442153.db2.gz	SQELMDQODCJEJB-KNQAVFIVSA-N	1	1	417.554	1.480	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc(N(C)C)n1)CC2	ZINC001164789349	721461841	/nfs/dbraw/zinc/46/18/41/721461841.db2.gz	XETQNCRYVMMDDB-IBGZPJMESA-N	1	1	418.586	1.980	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc21	ZINC001164805363	721562288	/nfs/dbraw/zinc/56/22/88/721562288.db2.gz	MVQOLRBRHHYCKL-LNLFQRSKSA-N	1	1	409.494	1.128	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc21	ZINC001164805363	721562291	/nfs/dbraw/zinc/56/22/91/721562291.db2.gz	MVQOLRBRHHYCKL-LNLFQRSKSA-N	1	1	409.494	1.128	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12	ZINC001164807293	721565539	/nfs/dbraw/zinc/56/55/39/721565539.db2.gz	SNIWRHFDOQXGIW-SFHLNBCPSA-N	1	1	410.522	1.576	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164904753	721566495	/nfs/dbraw/zinc/56/64/95/721566495.db2.gz	FNPYLYFUHGJTOW-UKRRQHHQSA-N	1	1	405.861	1.971	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cn3cncn3)cn2)[C@H]2CCCO[C@H]12	ZINC001164810174	721577640	/nfs/dbraw/zinc/57/76/40/721577640.db2.gz	UXOARNGFKQSWHZ-VWPQPMDRSA-N	1	1	405.506	1.985	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1	ZINC001164801162	721584523	/nfs/dbraw/zinc/58/45/23/721584523.db2.gz	DSFVADUEKJZOAB-ZJOUEHCJSA-N	1	1	411.506	1.978	20	0		HDADMO
NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1	ZINC001164906266	721699287	/nfs/dbraw/zinc/69/92/87/721699287.db2.gz	MSEBCAVFAAVMKM-SFHVURJKSA-N	1	1	423.489	1.862	20	0		HDADMO
NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1	ZINC001164910653	721731652	/nfs/dbraw/zinc/73/16/52/721731652.db2.gz	HPAHMOSHEJBAKI-KRWDZBQOSA-N	1	1	424.477	1.257	20	0		HDADMO
Cc1cnc2c(ccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1	ZINC001164915028	721798443	/nfs/dbraw/zinc/79/84/43/721798443.db2.gz	UHMIBSJXQLXPSK-JOCHJYFZSA-N	1	1	406.490	1.836	20	0		HDADMO
Cc1cnc2c(ccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1	ZINC001164915028	721798444	/nfs/dbraw/zinc/79/84/44/721798444.db2.gz	UHMIBSJXQLXPSK-JOCHJYFZSA-N	1	1	406.490	1.836	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cn3)C[C@H]21	ZINC001165028884	721809317	/nfs/dbraw/zinc/80/93/17/721809317.db2.gz	XXFFKNIRRKXXJQ-KFKAGJAMSA-N	1	1	401.536	1.861	20	0		HDADMO
CCN(C)c1cc[nH+]c(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)n1	ZINC001164919483	721822560	/nfs/dbraw/zinc/82/25/60/721822560.db2.gz	RRZHEVJBXLIGFA-HXUWFJFHSA-N	1	1	418.567	1.805	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@@H]21	ZINC001165026685	721828496	/nfs/dbraw/zinc/82/84/96/721828496.db2.gz	PGFOJBUSDUYRAZ-HYVNUMGLSA-N	1	1	402.524	1.256	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1	ZINC001164926084	721856761	/nfs/dbraw/zinc/85/67/61/721856761.db2.gz	HDHDSTMFJDNMJE-GJZGRUSLSA-N	1	1	403.556	1.138	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1	ZINC001164926084	721856763	/nfs/dbraw/zinc/85/67/63/721856763.db2.gz	HDHDSTMFJDNMJE-GJZGRUSLSA-N	1	1	403.556	1.138	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC001164932961	721878514	/nfs/dbraw/zinc/87/85/14/721878514.db2.gz	KJHDBJBJWMBQSP-RTBURBONSA-N	1	1	407.584	1.471	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC001164932961	721878516	/nfs/dbraw/zinc/87/85/16/721878516.db2.gz	KJHDBJBJWMBQSP-RTBURBONSA-N	1	1	407.584	1.471	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC001164932959	721878529	/nfs/dbraw/zinc/87/85/29/721878529.db2.gz	KJHDBJBJWMBQSP-RBUKOAKNSA-N	1	1	407.584	1.471	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC001164932959	721878530	/nfs/dbraw/zinc/87/85/30/721878530.db2.gz	KJHDBJBJWMBQSP-RBUKOAKNSA-N	1	1	407.584	1.471	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1	ZINC001164931491	721881503	/nfs/dbraw/zinc/88/15/03/721881503.db2.gz	FTPNYRHPYKNDOL-SJORKVTESA-N	1	1	400.527	1.127	20	0		HDADMO
C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1	ZINC001164931491	721881504	/nfs/dbraw/zinc/88/15/04/721881504.db2.gz	FTPNYRHPYKNDOL-SJORKVTESA-N	1	1	400.527	1.127	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC001165044921	721954475	/nfs/dbraw/zinc/95/44/75/721954475.db2.gz	RINUMNXAUBIVPV-UHFFFAOYSA-N	1	1	403.508	1.971	20	0		HDADMO
c1nc2c(nc(N3CC[NH+](CCc4ccccn4)CC3)nc2N2CCOCC2)s1	ZINC001165054460	722010843	/nfs/dbraw/zinc/01/08/43/722010843.db2.gz	YUIUTNVZDVMRKL-UHFFFAOYSA-N	1	1	411.535	1.683	20	0		HDADMO
O=C1COc2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2N1	ZINC001164964111	722056950	/nfs/dbraw/zinc/05/69/50/722056950.db2.gz	RKZCIWIDDLWBBG-UHFFFAOYSA-N	1	1	409.490	1.927	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164983734	722128939	/nfs/dbraw/zinc/12/89/39/722128939.db2.gz	ZLDXUQQBQGJYPS-ZWKOTPCHSA-N	1	1	417.535	1.112	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164983824	722136711	/nfs/dbraw/zinc/13/67/11/722136711.db2.gz	VKDLUISAJWZZTM-IEBWSBKVSA-N	1	1	402.520	1.607	20	0		HDADMO
CN1CCN(c2nccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1	ZINC001164978904	722149384	/nfs/dbraw/zinc/14/93/84/722149384.db2.gz	KRHGRMNBNJXEOD-RTWAWAEBSA-N	1	1	423.565	1.351	20	0		HDADMO
CC(C)OC(=O)c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nn1	ZINC001164996053	722230965	/nfs/dbraw/zinc/23/09/65/722230965.db2.gz	BRNXDPRSZUYEST-UHFFFAOYSA-N	1	1	411.510	1.189	20	0		HDADMO
COc1c(Cl)nc(C)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997929	722233244	/nfs/dbraw/zinc/23/32/44/722233244.db2.gz	YUNWGLNIXXPNNU-UHFFFAOYSA-N	1	1	403.918	1.594	20	0		HDADMO
COc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(SC)n1	ZINC001164996363	722233375	/nfs/dbraw/zinc/23/33/75/722233375.db2.gz	DAQFTKWQJRIKCZ-UHFFFAOYSA-N	1	1	401.540	1.354	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nnc(Cl)c4cccnc42)CC3)CC1	ZINC001164996827	722233882	/nfs/dbraw/zinc/23/38/82/722233882.db2.gz	KEQNPSXZNMJUQE-UHFFFAOYSA-N	1	1	410.913	1.825	20	0		HDADMO
CC(C)n1cnc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc21	ZINC001165001928	722237655	/nfs/dbraw/zinc/23/76/55/722237655.db2.gz	PABQCWFMJTTZIP-UHFFFAOYSA-N	1	1	407.526	1.554	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C[C@H]1O	ZINC000509078323	1073481158	/nfs/dbraw/zinc/48/11/58/1073481158.db2.gz	AETJVFAGJZZQBE-DNVCBOLYSA-N	1	1	407.536	1.063	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C[C@H]1O	ZINC000509078323	1073481162	/nfs/dbraw/zinc/48/11/62/1073481162.db2.gz	AETJVFAGJZZQBE-DNVCBOLYSA-N	1	1	407.536	1.063	20	0		HDADMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCN(Cc2ncc[nH]2)CC1	ZINC000429055162	1073481928	/nfs/dbraw/zinc/48/19/28/1073481928.db2.gz	SGGAFCYNXLMQSG-FQEVSTJZSA-N	1	1	412.538	1.528	20	0		HDADMO
CC(C)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1	ZINC001004598104	1073495191	/nfs/dbraw/zinc/49/51/91/1073495191.db2.gz	QOVVEEUMXMLTTE-MKRDWBOCSA-N	1	1	400.523	1.786	20	0		HDADMO
CC(C)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1	ZINC001004598104	1073495194	/nfs/dbraw/zinc/49/51/94/1073495194.db2.gz	QOVVEEUMXMLTTE-MKRDWBOCSA-N	1	1	400.523	1.786	20	0		HDADMO
CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000673650469	1073549056	/nfs/dbraw/zinc/54/90/56/1073549056.db2.gz	UGVJYUGOXIHYIK-UHFFFAOYSA-N	1	1	410.540	1.074	20	0		HDADMO
CCn1c(=O)[nH]c2cc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)ccc2c1=O	ZINC000625182670	1073550209	/nfs/dbraw/zinc/55/02/09/1073550209.db2.gz	KMRRDCZYUPZTMX-MRXNPFEDSA-N	1	1	400.479	1.449	20	0		HDADMO
O=C(CCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)N1CC(=O)Nc2ccccc21	ZINC000625190517	1073557787	/nfs/dbraw/zinc/55/77/87/1073557787.db2.gz	QHGKOBXSPRZWHG-QGZVFWFLSA-N	1	1	414.506	1.465	20	0		HDADMO
O=C(CNC(=O)c1noc(-c2cccc(F)c2)n1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000673654978	1073580345	/nfs/dbraw/zinc/58/03/45/1073580345.db2.gz	CYRCXZMBSJIKMD-UHFFFAOYSA-N	1	1	423.448	1.950	20	0		HDADMO
O=C(CNC(=O)[C@H]1CCCN1Cc1ccccn1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000673655332	1073584087	/nfs/dbraw/zinc/58/40/87/1073584087.db2.gz	NFYGJUNEFCHVCN-JOCHJYFZSA-N	1	1	421.545	1.507	20	0		HDADMO
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000673656733	1073595639	/nfs/dbraw/zinc/59/56/39/1073595639.db2.gz	KBSBXZCLNIYPSH-KXBFYZLASA-N	1	1	402.520	1.832	20	0		HDADMO
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000673656733	1073595650	/nfs/dbraw/zinc/59/56/50/1073595650.db2.gz	KBSBXZCLNIYPSH-KXBFYZLASA-N	1	1	402.520	1.832	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@](C)(O)Cc2ccccc2)cc1	ZINC000673658534	1073602972	/nfs/dbraw/zinc/60/29/72/1073602972.db2.gz	NHNDGIHNYOEOJB-XMMPIXPASA-N	1	1	424.545	1.829	20	0		HDADMO
CC(C)n1nnnc1S[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000028149299	1073602979	/nfs/dbraw/zinc/60/29/79/1073602979.db2.gz	NMWLUCAGFYTUFB-HNNXBMFYSA-N	1	1	404.540	1.883	20	0		HDADMO
NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000673668360	1073621090	/nfs/dbraw/zinc/62/10/90/1073621090.db2.gz	LGTYSPBLQPTEFY-WZONZLPQSA-N	1	1	408.502	1.117	20	0		HDADMO
O=C(Cn1cc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1)NC1CCCCC1	ZINC000673738083	1073670582	/nfs/dbraw/zinc/67/05/82/1073670582.db2.gz	PYQLJMRZFDGDSI-FQEVSTJZSA-N	1	1	417.554	1.659	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)COCC(=O)NCc1cccnc1	ZINC000673749061	1073672398	/nfs/dbraw/zinc/67/23/98/1073672398.db2.gz	DBENWQFRGHJEAY-LJQANCHMSA-N	1	1	410.518	1.837	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C	ZINC000673748803	1073673125	/nfs/dbraw/zinc/67/31/25/1073673125.db2.gz	BXQWVDWLRMJACH-HNNXBMFYSA-N	1	1	407.474	1.771	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000673756373	1073690622	/nfs/dbraw/zinc/69/06/22/1073690622.db2.gz	CEUPAHQMOZKTBI-QGZVFWFLSA-N	1	1	410.522	1.030	20	0		HDADMO
C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000673756373	1073690625	/nfs/dbraw/zinc/69/06/25/1073690625.db2.gz	CEUPAHQMOZKTBI-QGZVFWFLSA-N	1	1	410.522	1.030	20	0		HDADMO
C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000673756373	1073690629	/nfs/dbraw/zinc/69/06/29/1073690629.db2.gz	CEUPAHQMOZKTBI-QGZVFWFLSA-N	1	1	410.522	1.030	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O	ZINC000673758230	1073692838	/nfs/dbraw/zinc/69/28/38/1073692838.db2.gz	XFUNTPAPOSORGT-OAHLLOKOSA-N	1	1	411.506	1.645	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1	ZINC000673749975	1073694192	/nfs/dbraw/zinc/69/41/92/1073694192.db2.gz	HBAMWRALFDTYTL-INIZCTEOSA-N	1	1	405.524	1.044	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1	ZINC000509144235	1073723226	/nfs/dbraw/zinc/72/32/26/1073723226.db2.gz	NZUYKLXBIAVSMH-RTWAWAEBSA-N	1	1	416.566	1.245	20	0		HDADMO
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000509149732	1073745958	/nfs/dbraw/zinc/74/59/58/1073745958.db2.gz	DNVFWNNGUHRDQT-FQEVSTJZSA-N	1	1	405.539	1.775	20	0		HDADMO
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000509149732	1073745971	/nfs/dbraw/zinc/74/59/71/1073745971.db2.gz	DNVFWNNGUHRDQT-FQEVSTJZSA-N	1	1	405.539	1.775	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC3(CS(C)(=O)=O)CC3)cc2)CC1	ZINC000673797252	1073747252	/nfs/dbraw/zinc/74/72/52/1073747252.db2.gz	ZCEASZCZYNVMHU-UHFFFAOYSA-N	1	1	407.536	1.618	20	0		HDADMO
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCOCc2ccccc2)CCO1	ZINC001108089222	1073769057	/nfs/dbraw/zinc/76/90/57/1073769057.db2.gz	GQHPAMPGSUIHRN-IBYACTMASA-N	1	1	400.519	1.834	20	0		HDADMO
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCOCc2ccccc2)CCO1	ZINC001108089222	1073769064	/nfs/dbraw/zinc/76/90/64/1073769064.db2.gz	GQHPAMPGSUIHRN-IBYACTMASA-N	1	1	400.519	1.834	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1	ZINC000673817283	1073772376	/nfs/dbraw/zinc/77/23/76/1073772376.db2.gz	RDIHRACWGBWNTO-UXHICEINSA-N	1	1	402.514	1.731	20	0		HDADMO
Cc1nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000673829748	1073780715	/nfs/dbraw/zinc/78/07/15/1073780715.db2.gz	QGLOVNWTYCGIDY-UHFFFAOYSA-N	1	1	407.360	1.070	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC(N)=O)cc1	ZINC000429148567	1073781713	/nfs/dbraw/zinc/78/17/13/1073781713.db2.gz	CWGOEJYXTWZWIS-JOCHJYFZSA-N	1	1	412.490	1.651	20	0		HDADMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](CCCO)c1ccccc1	ZINC000509157433	1073784935	/nfs/dbraw/zinc/78/49/35/1073784935.db2.gz	VUFWJWMUWQMVCS-PXNSSMCTSA-N	1	1	403.523	1.328	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCN2c2ncccn2)CC1	ZINC000673831078	1073789091	/nfs/dbraw/zinc/78/90/91/1073789091.db2.gz	GLPBZAIPNRVJGB-NRFANRHFSA-N	1	1	408.550	1.899	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1	ZINC000673830804	1073790132	/nfs/dbraw/zinc/79/01/32/1073790132.db2.gz	OEPNDWYCZQYMFZ-LEWJYISDSA-N	1	1	408.550	1.940	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1	ZINC000673830804	1073790142	/nfs/dbraw/zinc/79/01/42/1073790142.db2.gz	OEPNDWYCZQYMFZ-LEWJYISDSA-N	1	1	408.550	1.940	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1	ZINC000673830804	1073790147	/nfs/dbraw/zinc/79/01/47/1073790147.db2.gz	OEPNDWYCZQYMFZ-LEWJYISDSA-N	1	1	408.550	1.940	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1	ZINC000673830805	1073790391	/nfs/dbraw/zinc/79/03/91/1073790391.db2.gz	OEPNDWYCZQYMFZ-NHCUHLMSSA-N	1	1	408.550	1.940	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1	ZINC000673830805	1073790399	/nfs/dbraw/zinc/79/03/99/1073790399.db2.gz	OEPNDWYCZQYMFZ-NHCUHLMSSA-N	1	1	408.550	1.940	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1	ZINC000673830805	1073790404	/nfs/dbraw/zinc/79/04/04/1073790404.db2.gz	OEPNDWYCZQYMFZ-NHCUHLMSSA-N	1	1	408.550	1.940	20	0		HDADMO
CCOC(=O)[C@@H](NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1	ZINC000543489022	1073802070	/nfs/dbraw/zinc/80/20/70/1073802070.db2.gz	LHOGADQZBBBKTD-CTNGQTDRSA-N	1	1	403.523	1.279	20	0		HDADMO
CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673844192	1073820105	/nfs/dbraw/zinc/82/01/05/1073820105.db2.gz	DMYJFQRBANBOKI-HXUWFJFHSA-N	1	1	410.522	1.710	20	0		HDADMO
Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN(C(C)(C)CO)CC3)CC2)cc1	ZINC000673895240	1073865920	/nfs/dbraw/zinc/86/59/20/1073865920.db2.gz	GXKZQNSTJGXGLM-UHFFFAOYSA-N	1	1	402.583	1.418	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN(C(C)(C)CO)CC3)CC2)cc1	ZINC000673895240	1073865926	/nfs/dbraw/zinc/86/59/26/1073865926.db2.gz	GXKZQNSTJGXGLM-UHFFFAOYSA-N	1	1	402.583	1.418	20	0		HDADMO
CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673907004	1073873283	/nfs/dbraw/zinc/87/32/83/1073873283.db2.gz	UDZAKPYLFKHQHJ-IBGZPJMESA-N	1	1	411.568	1.359	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC[C@](O)(C(F)(F)F)C3)cc2)CC1	ZINC000673915453	1073885972	/nfs/dbraw/zinc/88/59/72/1073885972.db2.gz	IXZWOPWGACFTFR-GOSISDBHSA-N	1	1	414.428	1.995	20	0		HDADMO
C[C@@]1(c2ccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc2)NC(=O)NC1=O	ZINC000673963166	1073946624	/nfs/dbraw/zinc/94/66/24/1073946624.db2.gz	GGROPKOANXOJNL-UTKZUKDTSA-N	1	1	400.479	1.068	20	0		HDADMO
C[C@]1(c2ccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2)NC(=O)NC1=O	ZINC000673963165	1073946658	/nfs/dbraw/zinc/94/66/58/1073946658.db2.gz	GGROPKOANXOJNL-LAUBAEHRSA-N	1	1	400.479	1.068	20	0		HDADMO
CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC000670440947	1073963848	/nfs/dbraw/zinc/96/38/48/1073963848.db2.gz	NAKXQUOLGSSRPW-PWRODBHTSA-N	1	1	409.534	1.795	20	0		HDADMO
O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)N1CCC[C@H](O)C1	ZINC000670441356	1073967939	/nfs/dbraw/zinc/96/79/39/1073967939.db2.gz	NYSGDIGOZXMZFU-FDFHNCONSA-N	1	1	407.514	1.754	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)ncn1	ZINC000673980609	1073972683	/nfs/dbraw/zinc/97/26/83/1073972683.db2.gz	SNGKQFIFFBFMGX-LJQANCHMSA-N	1	1	415.586	1.476	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)ncn1	ZINC000673980609	1073972690	/nfs/dbraw/zinc/97/26/90/1073972690.db2.gz	SNGKQFIFFBFMGX-LJQANCHMSA-N	1	1	415.586	1.476	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	ZINC000466573874	1073979825	/nfs/dbraw/zinc/97/98/25/1073979825.db2.gz	OJPIJPSNNSSZTL-FCEWJHQRSA-N	1	1	403.527	1.509	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	ZINC000466573874	1073979828	/nfs/dbraw/zinc/97/98/28/1073979828.db2.gz	OJPIJPSNNSSZTL-FCEWJHQRSA-N	1	1	403.527	1.509	20	0		HDADMO
C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCN(CCO)CC1)C1CCCCC1	ZINC000543529011	1074009428	/nfs/dbraw/zinc/00/94/28/1074009428.db2.gz	TXPFJTHJNWKRNJ-UHFFFAOYSA-N	1	1	402.539	1.526	20	0		HDADMO
C[C@H](C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)N1CC[NH+](C)CC1	ZINC000543529628	1074020830	/nfs/dbraw/zinc/02/08/30/1074020830.db2.gz	VSBZGPNIQXXIMA-VQIMIIECSA-N	1	1	400.523	1.577	20	0		HDADMO
O=C(NCCc1cn2c(n1)SCC2)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000466583776	1074023518	/nfs/dbraw/zinc/02/35/18/1074023518.db2.gz	IRKZWHSNLRPIKN-UHFFFAOYSA-N	1	1	418.542	1.792	20	0		HDADMO
CC(C)C[C@H]1C[C@@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1	ZINC000509192037	1074025055	/nfs/dbraw/zinc/02/50/55/1074025055.db2.gz	OVQXUTIEJAYRCJ-QUCCMNQESA-N	1	1	414.550	1.883	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCc3nc(COC)nn3C2)[C@@H](C)C1	ZINC000466586057	1074034752	/nfs/dbraw/zinc/03/47/52/1074034752.db2.gz	BYDPHWAPLUGXMV-ULQDDVLXSA-N	1	1	408.547	1.176	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3nc(COC)nn3C2)[C@@H](C)C1	ZINC000466586055	1074034893	/nfs/dbraw/zinc/03/48/93/1074034893.db2.gz	BYDPHWAPLUGXMV-BBWFWOEESA-N	1	1	408.547	1.176	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000543535330	1074035763	/nfs/dbraw/zinc/03/57/63/1074035763.db2.gz	XGLSIYOXFNDSOD-CABCVRRESA-N	1	1	422.551	1.184	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000466589069	1074040978	/nfs/dbraw/zinc/04/09/78/1074040978.db2.gz	VQFDHECIXUYIKD-UZLBHIALSA-N	1	1	420.579	1.763	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1	ZINC001649123440	1074048173	/nfs/dbraw/zinc/04/81/73/1074048173.db2.gz	VZUYMLNBAMUBDT-OIBXWCBGSA-N	1	1	416.518	1.706	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCO1	ZINC001649123317	1074054017	/nfs/dbraw/zinc/05/40/17/1074054017.db2.gz	VHTHEPKEABXXLI-LQWHRVPQSA-N	1	1	406.527	1.415	20	0		HDADMO
C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1nc(-c2ccc(Br)cc2)no1	ZINC000543544100	1074057333	/nfs/dbraw/zinc/05/73/33/1074057333.db2.gz	NGZGCAZFNTTXQL-IUODEOHRSA-N	1	1	411.300	1.843	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1	ZINC000466601665	1074066194	/nfs/dbraw/zinc/06/61/94/1074066194.db2.gz	OHLUHUCWWDVJBT-NRSPTQNISA-N	1	1	414.550	1.632	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1	ZINC000229086205	1074078265	/nfs/dbraw/zinc/07/82/65/1074078265.db2.gz	DNWGDBTVQKHXPI-RTBURBONSA-N	1	1	402.539	1.453	20	0		HDADMO
Cc1ccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(OC[C@H]2CCCO2)c1	ZINC000466607679	1074082683	/nfs/dbraw/zinc/08/26/83/1074082683.db2.gz	MZVJMDGPVPJALP-KNQAVFIVSA-N	1	1	421.538	1.435	20	0		HDADMO
C[N@@H+](CCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)Cc1ccc(F)cc1	ZINC000674031672	1074091673	/nfs/dbraw/zinc/09/16/73/1074091673.db2.gz	DISULVQVAMTVFR-UHFFFAOYSA-N	1	1	414.547	1.809	20	0		HDADMO
Cn1c2[nH]c(C[N@H+](C)[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)nc2c(=O)n(C)c1=O	ZINC000543559729	1074107323	/nfs/dbraw/zinc/10/73/23/1074107323.db2.gz	VMTCICDEJRFDCP-CABCVRRESA-N	1	1	401.442	1.452	20	0		HDADMO
Cn1c2[nH]c(C[N@@H+](C)[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)nc2c(=O)n(C)c1=O	ZINC000543559729	1074107324	/nfs/dbraw/zinc/10/73/24/1074107324.db2.gz	VMTCICDEJRFDCP-CABCVRRESA-N	1	1	401.442	1.452	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)C1	ZINC000543559866	1074107403	/nfs/dbraw/zinc/10/74/03/1074107403.db2.gz	UQSIDEHJYRGDEK-OAHLLOKOSA-N	1	1	414.510	1.340	20	0		HDADMO
CNC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)C2CCCCC2)CC1	ZINC001299293295	1074108425	/nfs/dbraw/zinc/10/84/25/1074108425.db2.gz	YTVJXSAKIJCJPE-GOSISDBHSA-N	1	1	419.574	1.856	20	0		HDADMO
CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)c2C1	ZINC000674041140	1074127926	/nfs/dbraw/zinc/12/79/26/1074127926.db2.gz	ACXMSVDOENPFKO-CQSZACIVSA-N	1	1	409.552	1.925	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1nccs1	ZINC000543569664	1074132792	/nfs/dbraw/zinc/13/27/92/1074132792.db2.gz	RCHXDWXJJQNOOK-OAHLLOKOSA-N	1	1	402.520	1.876	20	0		HDADMO
CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c(=O)[nH]c1=O	ZINC000543574849	1074148146	/nfs/dbraw/zinc/14/81/46/1074148146.db2.gz	RIGXSSHCFDIWLX-HNNXBMFYSA-N	1	1	421.542	1.575	20	0		HDADMO
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000674079006	1074178878	/nfs/dbraw/zinc/17/88/78/1074178878.db2.gz	UVKPPVFKAMAIEC-WIYYLYMNSA-N	1	1	416.497	1.677	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCCC1	ZINC000674091306	1074181387	/nfs/dbraw/zinc/18/13/87/1074181387.db2.gz	MHZBPEYLPSODFG-ZWKOTPCHSA-N	1	1	417.554	1.137	20	0		HDADMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000674136696	1074193220	/nfs/dbraw/zinc/19/32/20/1074193220.db2.gz	OAVQJXCUZBLGFU-BMGDILEWSA-N	1	1	407.536	1.641	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1	ZINC000674168698	1074201097	/nfs/dbraw/zinc/20/10/97/1074201097.db2.gz	HJPBNGBUZKDPBR-QRQLOZEOSA-N	1	1	408.568	1.620	20	0		HDADMO
COCCNC(=O)C1CCN(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1	ZINC000674188251	1074203320	/nfs/dbraw/zinc/20/33/20/1074203320.db2.gz	PBTNCFDZHVPFMQ-UHFFFAOYSA-N	1	1	418.542	1.246	20	0		HDADMO
CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1	ZINC000674193382	1074208039	/nfs/dbraw/zinc/20/80/39/1074208039.db2.gz	XYKPSFIVHKTXQL-SFHVURJKSA-N	1	1	422.551	1.767	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2)CC1	ZINC000674198978	1074214102	/nfs/dbraw/zinc/21/41/02/1074214102.db2.gz	VQAIASQGVUEKSI-QGZVFWFLSA-N	1	1	424.505	1.142	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000674226311	1074234421	/nfs/dbraw/zinc/23/44/21/1074234421.db2.gz	PPJDMRDVXLILGC-MAUKXSAKSA-N	1	1	422.485	1.983	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000674227574	1074234750	/nfs/dbraw/zinc/23/47/50/1074234750.db2.gz	XNOUTQHBJRLDRD-IIBYNOLFSA-N	1	1	420.513	1.938	20	0		HDADMO
CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000674251188	1074243265	/nfs/dbraw/zinc/24/32/65/1074243265.db2.gz	KWFJVFCPKIPANB-OAQYLSRUSA-N	1	1	408.550	1.722	20	0		HDADMO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000674251188	1074243272	/nfs/dbraw/zinc/24/32/72/1074243272.db2.gz	KWFJVFCPKIPANB-OAQYLSRUSA-N	1	1	408.550	1.722	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000674251188	1074243276	/nfs/dbraw/zinc/24/32/76/1074243276.db2.gz	KWFJVFCPKIPANB-OAQYLSRUSA-N	1	1	408.550	1.722	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000674274758	1074253844	/nfs/dbraw/zinc/25/38/44/1074253844.db2.gz	ZCMZYSGSNNQYRA-APWZRJJASA-N	1	1	419.957	1.913	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000674274758	1074253846	/nfs/dbraw/zinc/25/38/46/1074253846.db2.gz	ZCMZYSGSNNQYRA-APWZRJJASA-N	1	1	419.957	1.913	20	0		HDADMO
Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1	ZINC000674276849	1074258883	/nfs/dbraw/zinc/25/88/83/1074258883.db2.gz	JVXMGHYYUXTFSB-NJDAHSKKSA-N	1	1	403.567	1.857	20	0		HDADMO
O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000674298716	1074262818	/nfs/dbraw/zinc/26/28/18/1074262818.db2.gz	BUPNEIHUWRGKSH-NHCUHLMSSA-N	1	1	414.550	1.726	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCNC(=O)[C@@H]3C(C)C)cc2)CC1	ZINC000674317106	1074265504	/nfs/dbraw/zinc/26/55/04/1074265504.db2.gz	QUHMZNOLQZHSST-SFHVURJKSA-N	1	1	401.511	1.453	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCNC(=O)[C@H]3C(C)C)cc2)CC1	ZINC000674317105	1074265555	/nfs/dbraw/zinc/26/55/55/1074265555.db2.gz	QUHMZNOLQZHSST-GOSISDBHSA-N	1	1	401.511	1.453	20	0		HDADMO
COC1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1	ZINC000674320356	1074270965	/nfs/dbraw/zinc/27/09/65/1074270965.db2.gz	FSGMSWBJBJQIDD-UHFFFAOYSA-N	1	1	402.539	1.838	20	0		HDADMO
CC(C)(C(N)=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000674328331	1074277369	/nfs/dbraw/zinc/27/73/69/1074277369.db2.gz	VZFUUGAKAMKYMZ-IBGZPJMESA-N	1	1	401.555	1.490	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)C1	ZINC000674321197	1074281957	/nfs/dbraw/zinc/28/19/57/1074281957.db2.gz	WEFRBEUCTVBEPO-QGZVFWFLSA-N	1	1	411.506	1.882	20	0		HDADMO
CN(CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)c1ccccc1	ZINC000674320887	1074282832	/nfs/dbraw/zinc/28/28/32/1074282832.db2.gz	PDNYKPAYHHOPGD-UHFFFAOYSA-N	1	1	402.539	1.200	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)[nH]n2)cc1OC	ZINC000674360872	1074292112	/nfs/dbraw/zinc/29/21/12/1074292112.db2.gz	YSRRUIMRNOKRSQ-MRXNPFEDSA-N	1	1	413.522	1.992	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)[nH]n2)cc1OC	ZINC000674360872	1074292122	/nfs/dbraw/zinc/29/21/22/1074292122.db2.gz	YSRRUIMRNOKRSQ-MRXNPFEDSA-N	1	1	413.522	1.992	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)CCN2C1=O	ZINC000674379090	1074304197	/nfs/dbraw/zinc/30/41/97/1074304197.db2.gz	VSKPOTRVELJUNO-MDZRGWNJSA-N	1	1	414.506	1.404	20	0		HDADMO
CC[C@@H](NC(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccccc1OCC(=O)NC	ZINC000674394860	1074309839	/nfs/dbraw/zinc/30/98/39/1074309839.db2.gz	QEPFCAKCPYDWMM-MRXNPFEDSA-N	1	1	402.499	1.561	20	0		HDADMO
CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674395781	1074310220	/nfs/dbraw/zinc/31/02/20/1074310220.db2.gz	FOKQLHXKURRDOR-RTWAWAEBSA-N	1	1	404.555	1.233	20	0		HDADMO
COc1cc2[nH+]c(NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)nc(N)c2cc1OC	ZINC000674413268	1074313628	/nfs/dbraw/zinc/31/36/28/1074313628.db2.gz	FCTJWDRVFJKJML-GIGQVBGESA-N	1	1	400.439	1.362	20	0		HDADMO
CC[C@@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[N@H+]1CCc2ccccc2C1	ZINC000674423940	1074326169	/nfs/dbraw/zinc/32/61/69/1074326169.db2.gz	FFSIBEIFCSWAJM-IBGZPJMESA-N	1	1	408.568	1.500	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000674427682	1074331087	/nfs/dbraw/zinc/33/10/87/1074331087.db2.gz	ZZRHYPHMHBUYEL-IBGZPJMESA-N	1	1	404.511	1.668	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000674430765	1074342255	/nfs/dbraw/zinc/34/22/55/1074342255.db2.gz	JIUNYRQBWJTIEU-LJQANCHMSA-N	1	1	408.568	1.228	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1=O	ZINC000674448002	1074345678	/nfs/dbraw/zinc/34/56/78/1074345678.db2.gz	CBSDNEOVDDREJT-KUHUBIRLSA-N	1	1	405.524	1.126	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1=O	ZINC000674448002	1074345685	/nfs/dbraw/zinc/34/56/85/1074345685.db2.gz	CBSDNEOVDDREJT-KUHUBIRLSA-N	1	1	405.524	1.126	20	0		HDADMO
COC[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000674477799	1074375461	/nfs/dbraw/zinc/37/54/61/1074375461.db2.gz	JLEJCXJYSVQLPU-LJQANCHMSA-N	1	1	414.506	1.549	20	0		HDADMO
CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCc4nn(CC)c(=O)cc4C3)c2C1	ZINC000674480800	1074380848	/nfs/dbraw/zinc/38/08/48/1074380848.db2.gz	QMZPPEOBJWSQAX-UHFFFAOYSA-N	1	1	409.490	1.512	20	0		HDADMO
CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCc4nn(CC)c(=O)cc4C3)c2C1	ZINC000674480800	1074380857	/nfs/dbraw/zinc/38/08/57/1074380857.db2.gz	QMZPPEOBJWSQAX-UHFFFAOYSA-N	1	1	409.490	1.512	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000674500270	1074392547	/nfs/dbraw/zinc/39/25/47/1074392547.db2.gz	TWOULZJUDICNMK-INIZCTEOSA-N	1	1	415.943	1.284	20	0		HDADMO
CCn1c(C[N@@H+]2CCC[C@H]2COC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000674500493	1074395373	/nfs/dbraw/zinc/39/53/73/1074395373.db2.gz	XCGLHETXSUVGOY-INIZCTEOSA-N	1	1	422.551	1.688	20	0		HDADMO
CCn1c(C[N@H+]2CCC[C@H]2COC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000674500493	1074395386	/nfs/dbraw/zinc/39/53/86/1074395386.db2.gz	XCGLHETXSUVGOY-INIZCTEOSA-N	1	1	422.551	1.688	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3cc(OC)c(Cl)cc3OC)CCN2C1=O	ZINC000674500545	1074395865	/nfs/dbraw/zinc/39/58/65/1074395865.db2.gz	BCHQDFJZWBJZKO-AWEZNQCLSA-N	1	1	424.885	1.654	20	0		HDADMO
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CCN1CCCS1(=O)=O	ZINC000674495580	1074407015	/nfs/dbraw/zinc/40/70/15/1074407015.db2.gz	IYMDOZBBBOITQE-UHFFFAOYSA-N	1	1	419.551	1.785	20	0		HDADMO
COc1ccc([C@H](CNC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c2c[nH]c3ccccc32)cc1	ZINC000674497837	1074409334	/nfs/dbraw/zinc/40/93/34/1074409334.db2.gz	LOBOMKWMGMGGTB-UEXGIBASSA-N	1	1	423.513	1.852	20	0		HDADMO
COc1ccc([C@H](CNC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c2c[nH]c3ccccc32)cc1	ZINC000674497837	1074409337	/nfs/dbraw/zinc/40/93/37/1074409337.db2.gz	LOBOMKWMGMGGTB-UEXGIBASSA-N	1	1	423.513	1.852	20	0		HDADMO
C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1	ZINC000674498806	1074409986	/nfs/dbraw/zinc/40/99/86/1074409986.db2.gz	VPNOYDBZFBXLCP-HBGVWJBISA-N	1	1	411.502	1.886	20	0		HDADMO
C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1	ZINC000674498806	1074409993	/nfs/dbraw/zinc/40/99/93/1074409993.db2.gz	VPNOYDBZFBXLCP-HBGVWJBISA-N	1	1	411.502	1.886	20	0		HDADMO
COC(=O)Cc1c2ccccc2[nH]c1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC001626100558	1074410009	/nfs/dbraw/zinc/41/00/09/1074410009.db2.gz	HPAHKQGUGQEOGA-UHFFFAOYSA-N	1	1	415.490	1.495	20	0		HDADMO
C[C@@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674514711	1074412497	/nfs/dbraw/zinc/41/24/97/1074412497.db2.gz	WAFCSOGVHAKDFT-MJGOQNOKSA-N	1	1	423.579	1.754	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ncccc1OCC(F)(F)F	ZINC000674516801	1074419394	/nfs/dbraw/zinc/41/93/94/1074419394.db2.gz	WIPFXAJQBNUXIK-CQSZACIVSA-N	1	1	402.417	1.159	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1c(F)c(F)cc(F)c1F	ZINC000674520444	1074419828	/nfs/dbraw/zinc/41/98/28/1074419828.db2.gz	VDTJSISSEOTMJI-OAHLLOKOSA-N	1	1	417.403	1.573	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674564177	1074441078	/nfs/dbraw/zinc/44/10/78/1074441078.db2.gz	WUSLSFOBFOHSGE-IBGZPJMESA-N	1	1	403.527	1.540	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000674561054	1074447335	/nfs/dbraw/zinc/44/73/35/1074447335.db2.gz	ALVFLZBAHQFWAR-UHFFFAOYSA-N	1	1	412.581	1.735	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O	ZINC000674582314	1074460703	/nfs/dbraw/zinc/46/07/03/1074460703.db2.gz	VAJNSKDKEDRAOJ-KUDFPVQQSA-N	1	1	402.470	1.627	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O	ZINC000674582314	1074460707	/nfs/dbraw/zinc/46/07/07/1074460707.db2.gz	VAJNSKDKEDRAOJ-KUDFPVQQSA-N	1	1	402.470	1.627	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1nc(C(F)(F)F)cs1	ZINC000674582091	1074461204	/nfs/dbraw/zinc/46/12/04/1074461204.db2.gz	FQAZEKBADFMJDL-WDEREUQCSA-N	1	1	422.473	1.643	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1nc(C(F)(F)F)cs1	ZINC000674582091	1074461211	/nfs/dbraw/zinc/46/12/11/1074461211.db2.gz	FQAZEKBADFMJDL-WDEREUQCSA-N	1	1	422.473	1.643	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C	ZINC000674615553	1074486006	/nfs/dbraw/zinc/48/60/06/1074486006.db2.gz	ITNYZBBFTXSZIF-INIZCTEOSA-N	1	1	402.948	1.620	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000674633751	1074489351	/nfs/dbraw/zinc/48/93/51/1074489351.db2.gz	PJCZWEVCVPJRMZ-NVXWUHKLSA-N	1	1	414.597	1.808	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)n2)c1C	ZINC000509231225	1074491375	/nfs/dbraw/zinc/49/13/75/1074491375.db2.gz	AXTOYDIQRGDFQQ-AWEZNQCLSA-N	1	1	407.496	1.500	20	0		HDADMO
C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC000674630401	1074493766	/nfs/dbraw/zinc/49/37/66/1074493766.db2.gz	BTEHYVITSGVPIX-GOSISDBHSA-N	1	1	409.600	1.228	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1Oc2ccccc2[C@@H]1C	ZINC000674631751	1074496122	/nfs/dbraw/zinc/49/61/22/1074496122.db2.gz	URBSRGNNBHQRLI-UGNRZPKXSA-N	1	1	402.539	1.645	20	0		HDADMO
CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(C)c1	ZINC000674632115	1074496143	/nfs/dbraw/zinc/49/61/43/1074496143.db2.gz	ZJCWTVIBRNOZQE-PMACEKPBSA-N	1	1	404.555	1.858	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1	ZINC000674644362	1074502104	/nfs/dbraw/zinc/50/21/04/1074502104.db2.gz	UAJHPSOLOBZUOD-DYESRHJHSA-N	1	1	407.559	1.860	20	0		HDADMO
CC[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)C(=O)N1CCOCC1	ZINC000674647196	1074503767	/nfs/dbraw/zinc/50/37/67/1074503767.db2.gz	HTJJMJMCMXRHAZ-QUCCMNQESA-N	1	1	402.539	1.930	20	0		HDADMO
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000674667566	1074512115	/nfs/dbraw/zinc/51/21/15/1074512115.db2.gz	JNWCXVMPWXAHDX-INIZCTEOSA-N	1	1	412.556	1.079	20	0		HDADMO
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000674667566	1074512122	/nfs/dbraw/zinc/51/21/22/1074512122.db2.gz	JNWCXVMPWXAHDX-INIZCTEOSA-N	1	1	412.556	1.079	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)n2)c1C	ZINC000509233604	1074514363	/nfs/dbraw/zinc/51/43/63/1074514363.db2.gz	INCODTHCINJCKS-GASCZTMLSA-N	1	1	424.461	1.237	20	0		HDADMO
C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674670573	1074520131	/nfs/dbraw/zinc/52/01/31/1074520131.db2.gz	XEZSUMYWMGJFRH-KSSFIOAISA-N	1	1	407.536	1.134	20	0		HDADMO
Cc1oc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1S(=O)(=O)N(C)C	ZINC000674685073	1074523278	/nfs/dbraw/zinc/52/32/78/1074523278.db2.gz	RRNSXANDSVJXRC-INIZCTEOSA-N	1	1	412.556	1.079	20	0		HDADMO
Cc1oc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1S(=O)(=O)N(C)C	ZINC000674685073	1074523290	/nfs/dbraw/zinc/52/32/90/1074523290.db2.gz	RRNSXANDSVJXRC-INIZCTEOSA-N	1	1	412.556	1.079	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H](C)CO[C@H]3CCOC3)cc2)CC1	ZINC000674695873	1074526739	/nfs/dbraw/zinc/52/67/39/1074526739.db2.gz	RXAVHXJCGIEKDL-LPHOPBHVSA-N	1	1	404.511	1.780	20	0		HDADMO
CCCCN(C(=O)C[N@@H+](C)C1(CO)CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429238963	1074528159	/nfs/dbraw/zinc/52/81/59/1074528159.db2.gz	RXFROBOGZAEFKX-UHFFFAOYSA-N	1	1	409.531	1.167	20	0		HDADMO
Cc1ccc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(N2CCOCC2)c1	ZINC000674707833	1074536172	/nfs/dbraw/zinc/53/61/72/1074536172.db2.gz	SFWKUBXOCSLZDS-NRFANRHFSA-N	1	1	415.582	1.753	20	0		HDADMO
Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1C	ZINC000674753650	1074547462	/nfs/dbraw/zinc/54/74/62/1074547462.db2.gz	FVWCBKFCIDNVNU-UHFFFAOYSA-N	1	1	418.519	1.896	20	0		HDADMO
COCCOc1cc(C)ccc1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674783469	1074563422	/nfs/dbraw/zinc/56/34/22/1074563422.db2.gz	IVZQTOCIXRAHLN-HXUWFJFHSA-N	1	1	420.554	1.226	20	0		HDADMO
COCCOc1cc(C)ccc1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674783468	1074563485	/nfs/dbraw/zinc/56/34/85/1074563485.db2.gz	IVZQTOCIXRAHLN-FQEVSTJZSA-N	1	1	420.554	1.226	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000674782879	1074563918	/nfs/dbraw/zinc/56/39/18/1074563918.db2.gz	ALZGRZGBPSYKMN-SJORKVTESA-N	1	1	423.508	1.249	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CCN(c2cccs2)CC1	ZINC000674783954	1074564314	/nfs/dbraw/zinc/56/43/14/1074564314.db2.gz	XOAYWABJHNCSQE-QGZVFWFLSA-N	1	1	407.584	1.959	20	0		HDADMO
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000674800617	1074574294	/nfs/dbraw/zinc/57/42/94/1074574294.db2.gz	KYIWWFMPYMPXKJ-SJLPKXTDSA-N	1	1	411.543	1.474	20	0		HDADMO
CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674872208	1074593579	/nfs/dbraw/zinc/59/35/79/1074593579.db2.gz	MYWPIVFTHFWLRZ-SFTDATJTSA-N	1	1	415.582	1.833	20	0		HDADMO
CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000674893628	1074609639	/nfs/dbraw/zinc/60/96/39/1074609639.db2.gz	AEQAIWVMHCBODP-KRWDZBQOSA-N	1	1	415.538	1.094	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@]3(C)CCCO3)cc2)CC1	ZINC000674894098	1074610521	/nfs/dbraw/zinc/61/05/21/1074610521.db2.gz	SEXGMTTZIPYCLF-NRFANRHFSA-N	1	1	402.495	1.088	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCCO3)cc2)CC1	ZINC000674894099	1074610564	/nfs/dbraw/zinc/61/05/64/1074610564.db2.gz	SEXGMTTZIPYCLF-OAQYLSRUSA-N	1	1	402.495	1.088	20	0		HDADMO
CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000670487736	1074637267	/nfs/dbraw/zinc/63/72/67/1074637267.db2.gz	CLPGRRJYTQTMBT-LJQANCHMSA-N	1	1	411.550	1.454	20	0		HDADMO
CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000670487736	1074637276	/nfs/dbraw/zinc/63/72/76/1074637276.db2.gz	CLPGRRJYTQTMBT-LJQANCHMSA-N	1	1	411.550	1.454	20	0		HDADMO
Cc1c(C(=O)N2CCS(=O)(=O)C(C)(C)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674964075	1074639808	/nfs/dbraw/zinc/63/98/08/1074639808.db2.gz	IOQCVELCWJSXRH-UHFFFAOYSA-N	1	1	417.535	1.213	20	0		HDADMO
C[C@@H]1CN(CN2C(=O)c3ccc(Br)cc3C2=O)CC[N@H+]1CC(C)(C)O	ZINC000766087641	1074665797	/nfs/dbraw/zinc/66/57/97/1074665797.db2.gz	JUFFIWQEOQKLRX-GFCCVEGCSA-N	1	1	410.312	1.780	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429311963	1074684632	/nfs/dbraw/zinc/68/46/32/1074684632.db2.gz	WDMFRRNLBYCVIX-ULQDDVLXSA-N	1	1	404.511	1.359	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429311963	1074684636	/nfs/dbraw/zinc/68/46/36/1074684636.db2.gz	WDMFRRNLBYCVIX-ULQDDVLXSA-N	1	1	404.511	1.359	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C[C@@H]2CCCC(=O)N2)CC1	ZINC001128931227	1074693205	/nfs/dbraw/zinc/69/32/05/1074693205.db2.gz	KAEJQUSPLNDQFN-ZDUSSCGKSA-N	1	1	410.316	1.593	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)s1	ZINC000448370017	1074702243	/nfs/dbraw/zinc/70/22/43/1074702243.db2.gz	DTCHLLOLXYFDFK-UHFFFAOYSA-N	1	1	406.512	2.254	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)CCN2C1=O	ZINC000675089891	1074712473	/nfs/dbraw/zinc/71/24/73/1074712473.db2.gz	YXXWIYUYIRDZGI-GOSISDBHSA-N	1	1	413.522	1.501	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)nn1C1CCCCC1	ZINC000576436705	1074714417	/nfs/dbraw/zinc/71/44/17/1074714417.db2.gz	BMSLGGUEJIVBBU-INIZCTEOSA-N	1	1	405.543	1.939	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)nn1C1CCCCC1	ZINC000576436705	1074714425	/nfs/dbraw/zinc/71/44/25/1074714425.db2.gz	BMSLGGUEJIVBBU-INIZCTEOSA-N	1	1	405.543	1.939	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C[N@H+]1Cc1ccccc1	ZINC000675102629	1074718795	/nfs/dbraw/zinc/71/87/95/1074718795.db2.gz	KILNMTZCXQUCGP-YOEHRIQHSA-N	1	1	420.510	1.935	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CCN2C1=O	ZINC000675108369	1074723351	/nfs/dbraw/zinc/72/33/51/1074723351.db2.gz	TWFYYOOKHWQLBN-QRQLOZEOSA-N	1	1	413.522	1.575	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ncn(C2CCCCC2)n1	ZINC000542721897	1074725601	/nfs/dbraw/zinc/72/56/01/1074725601.db2.gz	OTUZWVPJJKRTFW-UHFFFAOYSA-N	1	1	413.530	1.907	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C[N@H+]1Cc1ccccc1	ZINC000675126847	1074731052	/nfs/dbraw/zinc/73/10/52/1074731052.db2.gz	PIVCMNYJMVODKQ-WMLDXEAASA-N	1	1	408.458	1.735	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)CCN2C1=O	ZINC000675140147	1074740635	/nfs/dbraw/zinc/74/06/35/1074740635.db2.gz	HJVUMQCSOLPTIQ-MAUKXSAKSA-N	1	1	415.494	1.580	20	0		HDADMO
COc1ccccc1CNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000670493886	1074742852	/nfs/dbraw/zinc/74/28/52/1074742852.db2.gz	KWVMIULEYPGDOV-UHFFFAOYSA-N	1	1	402.539	1.328	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000675157998	1074747702	/nfs/dbraw/zinc/74/77/02/1074747702.db2.gz	PASMGAVEJGFCJI-KRWDZBQOSA-N	1	1	420.941	1.425	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	ZINC000429242755	1074748355	/nfs/dbraw/zinc/74/83/55/1074748355.db2.gz	XKRXFUVPKSMPEV-UHFFFAOYSA-N	1	1	404.555	1.743	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)nn1-c1ccc(F)cc1F	ZINC000568809792	1074752310	/nfs/dbraw/zinc/75/23/10/1074752310.db2.gz	ADFMQMZBDFSVMA-INIZCTEOSA-N	1	1	417.416	2.410	20	0		HDADMO
Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2=O)cc1	ZINC000675189508	1074752637	/nfs/dbraw/zinc/75/26/37/1074752637.db2.gz	KGCLUGKPMRCFNJ-SLFFLAALSA-N	1	1	412.534	1.155	20	0		HDADMO
CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1=O	ZINC000429322281	1074754460	/nfs/dbraw/zinc/75/44/60/1074754460.db2.gz	JSRFNCXWXIIIHJ-IPMKNSEASA-N	1	1	402.539	1.568	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl	ZINC000670496949	1074756693	/nfs/dbraw/zinc/75/66/93/1074756693.db2.gz	OCINAVIMFPVTSC-HNNXBMFYSA-N	1	1	402.322	1.879	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)no1	ZINC000481858209	1074756845	/nfs/dbraw/zinc/75/68/45/1074756845.db2.gz	UYXWEBBPGSUMOW-SFHVURJKSA-N	1	1	412.490	1.967	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)nn1-c1cccc(Cl)c1	ZINC000440301026	1074762011	/nfs/dbraw/zinc/76/20/11/1074762011.db2.gz	CFPJJIWMEHVEAT-UHFFFAOYSA-N	1	1	415.885	1.889	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@H+]1Cc1ccccc1	ZINC000466668066	1074762158	/nfs/dbraw/zinc/76/21/58/1074762158.db2.gz	CIMGLACEVYJRSI-DOTOQJQBSA-N	1	1	405.462	1.380	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2=O)cc1	ZINC000766100150	1074770465	/nfs/dbraw/zinc/77/04/65/1074770465.db2.gz	YLVRRHZUCGASTO-VPKVUBIPSA-N	1	1	414.506	1.405	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000675254523	1074778744	/nfs/dbraw/zinc/77/87/44/1074778744.db2.gz	JVQZCKPHFPEOHB-RBUKOAKNSA-N	1	1	403.527	1.105	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000524480249	1074784481	/nfs/dbraw/zinc/78/44/81/1074784481.db2.gz	UGSHSEKTGAHKRO-IBGZPJMESA-N	1	1	404.474	1.987	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000524480249	1074784487	/nfs/dbraw/zinc/78/44/87/1074784487.db2.gz	UGSHSEKTGAHKRO-IBGZPJMESA-N	1	1	404.474	1.987	20	0		HDADMO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000477092939	1074791341	/nfs/dbraw/zinc/79/13/41/1074791341.db2.gz	DDBTZSLMZBTSFX-DLBZAZTESA-N	1	1	421.561	1.601	20	0		HDADMO
O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1nc2cc(Cl)ccn2n1	ZINC000558502347	1074791363	/nfs/dbraw/zinc/79/13/63/1074791363.db2.gz	SIKNEDIOJMVGGF-JKSUJKDBSA-N	1	1	400.870	2.140	20	0		HDADMO
O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000507219125	1074797599	/nfs/dbraw/zinc/79/75/99/1074797599.db2.gz	WZBFZYIKWSPJBC-LJQANCHMSA-N	1	1	418.501	1.887	20	0		HDADMO
O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000507219125	1074797611	/nfs/dbraw/zinc/79/76/11/1074797611.db2.gz	WZBFZYIKWSPJBC-LJQANCHMSA-N	1	1	418.501	1.887	20	0		HDADMO
O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446714349	1074797694	/nfs/dbraw/zinc/79/76/94/1074797694.db2.gz	HUBLQEKLHBHFTI-MRXNPFEDSA-N	1	1	423.439	2.065	20	0		HDADMO
C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000675317517	1074797786	/nfs/dbraw/zinc/79/77/86/1074797786.db2.gz	LWHRJBFJZFFQPX-NSISKUIASA-N	1	1	402.539	1.998	20	0		HDADMO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000477107552	1074806221	/nfs/dbraw/zinc/80/62/21/1074806221.db2.gz	NJTRLIWFHYPLHD-GOSISDBHSA-N	1	1	410.603	1.763	20	0		HDADMO
CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC	ZINC000670501963	1074816482	/nfs/dbraw/zinc/81/64/82/1074816482.db2.gz	CCJLRNPMXBTOJH-ROUUACIJSA-N	1	1	403.523	1.886	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]21	ZINC000766112366	1074819189	/nfs/dbraw/zinc/81/91/89/1074819189.db2.gz	JLFGTTFIFLJTES-NHCUHLMSSA-N	1	1	414.550	1.884	20	0		HDADMO
COc1ccccc1OCCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000670507389	1075094460	/nfs/dbraw/zinc/09/44/60/1075094460.db2.gz	DBKAZXYNBQKGKI-IBGZPJMESA-N	1	1	411.502	1.923	20	0		HDADMO
Cc1cc(NC(=O)CC[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)no1	ZINC000426785060	1075094570	/nfs/dbraw/zinc/09/45/70/1075094570.db2.gz	OLAURDLIYQHUMN-OAHLLOKOSA-N	1	1	406.508	2.545	20	0		HDADMO
CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1	ZINC000546104203	1075101779	/nfs/dbraw/zinc/10/17/79/1075101779.db2.gz	NLFUISDFSNFXIU-INIZCTEOSA-N	1	1	404.471	2.196	20	0		HDADMO
COC(=O)c1cncnc1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000553036848	1075111484	/nfs/dbraw/zinc/11/14/84/1075111484.db2.gz	MKAJKLKQSWGXPT-UHFFFAOYSA-N	1	1	400.479	2.365	20	0		HDADMO
CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1	ZINC000484217722	1075124384	/nfs/dbraw/zinc/12/43/84/1075124384.db2.gz	FMRSGKALSOGQMK-HNNXBMFYSA-N	1	1	404.902	1.766	20	0		HDADMO
Cc1c(C(=O)NCc2nn(C)cc2I)cnn1-c1cc[nH+]cc1	ZINC001128992815	1075128479	/nfs/dbraw/zinc/12/84/79/1075128479.db2.gz	JIIMSPIVZWAILL-UHFFFAOYSA-N	1	1	422.230	1.844	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1	ZINC000675405291	1075129282	/nfs/dbraw/zinc/12/92/82/1075129282.db2.gz	YYCMOZZWKGWBCX-IEBWSBKVSA-N	1	1	413.522	1.784	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)n1	ZINC000675405033	1075129588	/nfs/dbraw/zinc/12/95/88/1075129588.db2.gz	XIFFYFJJAKESGI-KRWDZBQOSA-N	1	1	413.522	1.736	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)n1	ZINC000675405670	1075131396	/nfs/dbraw/zinc/13/13/96/1075131396.db2.gz	SDROATNPADLXRY-KRWDZBQOSA-N	1	1	411.506	1.754	20	0		HDADMO
O=C(NCc1nnc(-c2ccccc2)s1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675424415	1075140453	/nfs/dbraw/zinc/14/04/53/1075140453.db2.gz	XZOWPZSMWWUBLK-KRWDZBQOSA-N	1	1	416.551	1.411	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000675433368	1075142727	/nfs/dbraw/zinc/14/27/27/1075142727.db2.gz	NKFUQLXMVDYVJI-GUYCJALGSA-N	1	1	422.888	1.301	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000143814611	1075147168	/nfs/dbraw/zinc/14/71/68/1075147168.db2.gz	HQFYGKCNAPVCHE-SFHVURJKSA-N	1	1	402.495	1.943	20	0		HDADMO
CCOC(=O)C1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000143814611	1075147172	/nfs/dbraw/zinc/14/71/72/1075147172.db2.gz	HQFYGKCNAPVCHE-SFHVURJKSA-N	1	1	402.495	1.943	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1	ZINC000670525657	1075147901	/nfs/dbraw/zinc/14/79/01/1075147901.db2.gz	ZONFLGRVJOJIFM-IBGZPJMESA-N	1	1	424.501	1.798	20	0		HDADMO
O=C(NCCCOc1ccc(F)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000670526789	1075148589	/nfs/dbraw/zinc/14/85/89/1075148589.db2.gz	LGLSLXGNPQWDOJ-UHFFFAOYSA-N	1	1	421.513	1.862	20	0		HDADMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1	ZINC000670527116	1075151003	/nfs/dbraw/zinc/15/10/03/1075151003.db2.gz	ZDNZGPAJEFPBKU-RTBURBONSA-N	1	1	406.571	1.080	20	0		HDADMO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)C1	ZINC000429253612	1075151204	/nfs/dbraw/zinc/15/12/04/1075151204.db2.gz	BRYUHAIPJUMQAT-SJORKVTESA-N	1	1	424.567	1.638	20	0		HDADMO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)C1	ZINC000429253612	1075151206	/nfs/dbraw/zinc/15/12/06/1075151206.db2.gz	BRYUHAIPJUMQAT-SJORKVTESA-N	1	1	424.567	1.638	20	0		HDADMO
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1	ZINC000670527113	1075151216	/nfs/dbraw/zinc/15/12/16/1075151216.db2.gz	ZDNZGPAJEFPBKU-MOPGFXCFSA-N	1	1	406.571	1.080	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC[N@@H+]1CCOC	ZINC000535749236	1075154072	/nfs/dbraw/zinc/15/40/72/1075154072.db2.gz	WNFOAKLXCTUKMH-LJQANCHMSA-N	1	1	413.522	1.829	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC[N@H+]1CCOC	ZINC000535749236	1075154081	/nfs/dbraw/zinc/15/40/81/1075154081.db2.gz	WNFOAKLXCTUKMH-LJQANCHMSA-N	1	1	413.522	1.829	20	0		HDADMO
CC1(C)c2cc(S(=O)(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)ccc2NC1=O	ZINC000675455987	1075154956	/nfs/dbraw/zinc/15/49/56/1075154956.db2.gz	NDZHDKFQZFRYKI-OAHLLOKOSA-N	1	1	407.536	1.792	20	0		HDADMO
CC1(C)c2cc(S(=O)(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)ccc2NC1=O	ZINC000675455987	1075154961	/nfs/dbraw/zinc/15/49/61/1075154961.db2.gz	NDZHDKFQZFRYKI-OAHLLOKOSA-N	1	1	407.536	1.792	20	0		HDADMO
COCCCn1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1	ZINC000444899926	1075155813	/nfs/dbraw/zinc/15/58/13/1075155813.db2.gz	QYUZZWLWSDKCMH-IBGZPJMESA-N	1	1	401.511	2.198	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000429348582	1075160071	/nfs/dbraw/zinc/16/00/71/1075160071.db2.gz	JPHYVQDYUQCZJD-SFHVURJKSA-N	1	1	411.428	2.546	20	0		HDADMO
O=S(=O)(c1ccc(OCC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1)N1CCOCC1	ZINC000429254313	1075163321	/nfs/dbraw/zinc/16/33/21/1075163321.db2.gz	KEHMDHWYPKGFMT-IBGZPJMESA-N	1	1	424.563	1.835	20	0		HDADMO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccccc2O1	ZINC000675469201	1075163595	/nfs/dbraw/zinc/16/35/95/1075163595.db2.gz	HNVFJTYCKSTIJJ-CQSZACIVSA-N	1	1	410.517	1.608	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000144203523	1075165296	/nfs/dbraw/zinc/16/52/96/1075165296.db2.gz	WEAWFCIWGYFMHA-QWHCGFSZSA-N	1	1	413.316	1.646	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000144203523	1075165298	/nfs/dbraw/zinc/16/52/98/1075165298.db2.gz	WEAWFCIWGYFMHA-QWHCGFSZSA-N	1	1	413.316	1.646	20	0		HDADMO
COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccccc1	ZINC000498760687	1075165423	/nfs/dbraw/zinc/16/54/23/1075165423.db2.gz	CSHWQIQRVHMBFI-IBGZPJMESA-N	1	1	413.522	1.984	20	0		HDADMO
O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000429254301	1075166586	/nfs/dbraw/zinc/16/65/86/1075166586.db2.gz	KDBBRQDFOCIVBS-IBGZPJMESA-N	1	1	421.563	1.268	20	0		HDADMO
Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Br)s1	ZINC000675467582	1075166745	/nfs/dbraw/zinc/16/67/45/1075166745.db2.gz	YBBLPCATKMIPPE-CYBMUJFWSA-N	1	1	402.358	1.955	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c(Br)c1	ZINC000042744186	1075168998	/nfs/dbraw/zinc/16/89/98/1075168998.db2.gz	INMWVDMVSNTTJQ-UHFFFAOYSA-N	1	1	404.330	1.200	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000144354724	1075170030	/nfs/dbraw/zinc/17/00/30/1075170030.db2.gz	GCUBYJBKPQFECW-STQMWFEESA-N	1	1	413.421	1.810	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000144354724	1075170038	/nfs/dbraw/zinc/17/00/38/1075170038.db2.gz	GCUBYJBKPQFECW-STQMWFEESA-N	1	1	413.421	1.810	20	0		HDADMO
Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c1C	ZINC000429352654	1075171472	/nfs/dbraw/zinc/17/14/72/1075171472.db2.gz	IEFUUWBPTCLHPL-CQSZACIVSA-N	1	1	408.568	1.696	20	0		HDADMO
O=C(C[NH2+][C@@H](Cn1cccn1)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F	ZINC000675497562	1075179379	/nfs/dbraw/zinc/17/93/79/1075179379.db2.gz	KXCYYAPYHYNZRF-IBGZPJMESA-N	1	1	406.425	1.968	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC[N@@H+]1CCO	ZINC000429353142	1075182016	/nfs/dbraw/zinc/18/20/16/1075182016.db2.gz	JHTMLABSEMNGLA-HNNXBMFYSA-N	1	1	412.556	1.435	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC[N@H+]1CCO	ZINC000429353142	1075182017	/nfs/dbraw/zinc/18/20/17/1075182017.db2.gz	JHTMLABSEMNGLA-HNNXBMFYSA-N	1	1	412.556	1.435	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1	ZINC000675519129	1075184285	/nfs/dbraw/zinc/18/42/85/1075184285.db2.gz	UFNRKWVBSDBZJS-UHFFFAOYSA-N	1	1	406.914	1.703	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000546793217	1075185802	/nfs/dbraw/zinc/18/58/02/1075185802.db2.gz	FRTPTJIZJOMVQI-IBGZPJMESA-N	1	1	422.595	1.156	20	0		HDADMO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC(S(C)(=O)=O)CC1	ZINC000675503702	1075186516	/nfs/dbraw/zinc/18/65/16/1075186516.db2.gz	NMVDNRFXMQOGQK-QGZVFWFLSA-N	1	1	423.579	1.033	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000446877497	1075187085	/nfs/dbraw/zinc/18/70/85/1075187085.db2.gz	MJWMCZPHLIDCLX-HXUWFJFHSA-N	1	1	418.501	2.329	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446877497	1075187087	/nfs/dbraw/zinc/18/70/87/1075187087.db2.gz	MJWMCZPHLIDCLX-HXUWFJFHSA-N	1	1	418.501	2.329	20	0		HDADMO
Cc1c(C(=O)N2CCC(S(C)(=O)=O)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675507107	1075187720	/nfs/dbraw/zinc/18/77/20/1075187720.db2.gz	HSZLZENKGXDRSO-UHFFFAOYSA-N	1	1	417.535	1.213	20	0		HDADMO
O=C(Nc1ccn(CCN2CCOCC2)n1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000467926378	1075188139	/nfs/dbraw/zinc/18/81/39/1075188139.db2.gz	GYKCVIZJRKWZGX-OYRHEFFESA-N	1	1	424.549	1.811	20	0		HDADMO
C[NH+](C)C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)c2ccccc2O1	ZINC000675512433	1075190362	/nfs/dbraw/zinc/19/03/62/1075190362.db2.gz	OHAGUEUMQKAQGF-LJQANCHMSA-N	1	1	409.534	1.950	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1	ZINC000675537270	1075193909	/nfs/dbraw/zinc/19/39/09/1075193909.db2.gz	OSOLOCCNPPWKLD-WMZOPIPTSA-N	1	1	414.510	1.503	20	0		HDADMO
C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766165363	1075200674	/nfs/dbraw/zinc/20/06/74/1075200674.db2.gz	FPGFRTOQBQYFLU-YCPHGPKFSA-N	1	1	403.570	1.546	20	0		HDADMO
C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766165363	1075200680	/nfs/dbraw/zinc/20/06/80/1075200680.db2.gz	FPGFRTOQBQYFLU-YCPHGPKFSA-N	1	1	403.570	1.546	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1	ZINC000609559420	1075201083	/nfs/dbraw/zinc/20/10/83/1075201083.db2.gz	IWVXFEAWXSQDRC-NVXWUHKLSA-N	1	1	423.583	1.670	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)no1	ZINC000609559420	1075201086	/nfs/dbraw/zinc/20/10/86/1075201086.db2.gz	IWVXFEAWXSQDRC-NVXWUHKLSA-N	1	1	423.583	1.670	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1	ZINC000542766727	1075207761	/nfs/dbraw/zinc/20/77/61/1075207761.db2.gz	HYKBGRHEUIMOLI-UHFFFAOYSA-N	1	1	405.524	1.956	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)n1	ZINC000441763410	1075208753	/nfs/dbraw/zinc/20/87/53/1075208753.db2.gz	HLMWHOSHWCGLOT-INIZCTEOSA-N	1	1	415.494	1.827	20	0		HDADMO
CC(C)n1ncc2cc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)ccc21	ZINC000675574875	1075209737	/nfs/dbraw/zinc/20/97/37/1075209737.db2.gz	HJBVIISFBICHAL-IBGZPJMESA-N	1	1	419.551	1.720	20	0		HDADMO
CC(C)n1ncc2cc(S(=O)(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)ccc21	ZINC000675574875	1075209740	/nfs/dbraw/zinc/20/97/40/1075209740.db2.gz	HJBVIISFBICHAL-IBGZPJMESA-N	1	1	419.551	1.720	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000675584581	1075214686	/nfs/dbraw/zinc/21/46/86/1075214686.db2.gz	BYFASJXXIXCNIN-ZWKOTPCHSA-N	1	1	415.494	1.937	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)[C@H](C)NC(=O)COc3ccccc3)CC2)nc(C)[nH+]1	ZINC000509352382	1075216566	/nfs/dbraw/zinc/21/65/66/1075216566.db2.gz	YKVHSFYAZOSWOL-INIZCTEOSA-N	1	1	411.506	1.762	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1	ZINC000675586624	1075217250	/nfs/dbraw/zinc/21/72/50/1075217250.db2.gz	WLOAOYUAQWVHIQ-UHFFFAOYSA-N	1	1	424.549	1.686	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675605461	1075221151	/nfs/dbraw/zinc/22/11/51/1075221151.db2.gz	MJBVEDAFZSSLSC-ICSRJNTNSA-N	1	1	414.550	1.624	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675605461	1075221158	/nfs/dbraw/zinc/22/11/58/1075221158.db2.gz	MJBVEDAFZSSLSC-ICSRJNTNSA-N	1	1	414.550	1.624	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)no1	ZINC000470473265	1075221837	/nfs/dbraw/zinc/22/18/37/1075221837.db2.gz	KPOCMMWRVDFZON-ZFWWWQNUSA-N	1	1	410.540	1.755	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)n1	ZINC000426540733	1075224895	/nfs/dbraw/zinc/22/48/95/1075224895.db2.gz	SWENJVVJEFJFFX-AEFFLSMTSA-N	1	1	405.543	2.190	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2)CCO1	ZINC000675588827	1075227969	/nfs/dbraw/zinc/22/79/69/1075227969.db2.gz	CRCJHZAVBWYVIQ-INIZCTEOSA-N	1	1	411.506	1.769	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2)CCO1	ZINC000675588827	1075227971	/nfs/dbraw/zinc/22/79/71/1075227971.db2.gz	CRCJHZAVBWYVIQ-INIZCTEOSA-N	1	1	411.506	1.769	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2nn(-c3ncccc3F)cc2C)CC1	ZINC000448336380	1075232249	/nfs/dbraw/zinc/23/22/49/1075232249.db2.gz	CQHWBRYTFUXYPK-HNNXBMFYSA-N	1	1	403.506	2.110	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNc2nc(C)c(S(N)(=O)=O)s2)CC1	ZINC000554933384	1075233257	/nfs/dbraw/zinc/23/32/57/1075233257.db2.gz	WOBDJCFCYLPPGI-UHFFFAOYSA-N	1	1	409.581	1.849	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675594685	1075233392	/nfs/dbraw/zinc/23/33/92/1075233392.db2.gz	BJKYUZORDOVYRC-JXFKEZNVSA-N	1	1	411.506	1.637	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675594685	1075233394	/nfs/dbraw/zinc/23/33/94/1075233394.db2.gz	BJKYUZORDOVYRC-JXFKEZNVSA-N	1	1	411.506	1.637	20	0		HDADMO
C[C@H](O)c1ccc(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1	ZINC000785481325	1075235987	/nfs/dbraw/zinc/23/59/87/1075235987.db2.gz	QHVSCJFXDZXITC-KRWDZBQOSA-N	1	1	411.502	1.505	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1	ZINC000466691330	1075244256	/nfs/dbraw/zinc/24/42/56/1075244256.db2.gz	OACSWSZIQCCFQY-YOEHRIQHSA-N	1	1	420.469	1.630	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1	ZINC000426694950	1075244500	/nfs/dbraw/zinc/24/45/00/1075244500.db2.gz	LICAHRPKYSBQGU-KRWDZBQOSA-N	1	1	413.522	2.152	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1	ZINC000426694950	1075244502	/nfs/dbraw/zinc/24/45/02/1075244502.db2.gz	LICAHRPKYSBQGU-KRWDZBQOSA-N	1	1	413.522	2.152	20	0		HDADMO
NC(=O)c1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1	ZINC000675650498	1075247323	/nfs/dbraw/zinc/24/73/23/1075247323.db2.gz	FWSGXBKFBWFRTK-XKGZKEIXSA-N	1	1	415.538	1.307	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000675664450	1075251418	/nfs/dbraw/zinc/25/14/18/1075251418.db2.gz	MSIVWAWHJBMFLH-OALUTQOASA-N	1	1	409.552	1.152	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H](Nc2ccccc2)C1	ZINC000675714223	1075259502	/nfs/dbraw/zinc/25/95/02/1075259502.db2.gz	ZHRGJVVAHCOGJI-RTWAWAEBSA-N	1	1	401.555	1.679	20	0		HDADMO
C[C@@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@@H+](C2CCC2)C1	ZINC000429372761	1075259508	/nfs/dbraw/zinc/25/95/08/1075259508.db2.gz	OHPAPBJHEOHYGT-HXUWFJFHSA-N	1	1	406.615	1.944	20	0		HDADMO
C[C@@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@H+](C2CCC2)C1	ZINC000429372761	1075259516	/nfs/dbraw/zinc/25/95/16/1075259516.db2.gz	OHPAPBJHEOHYGT-HXUWFJFHSA-N	1	1	406.615	1.944	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nc3c(s2)COCC3)C[N@H+]1Cc1ccccc1	ZINC000466695359	1075261990	/nfs/dbraw/zinc/26/19/90/1075261990.db2.gz	ITGGJMAEPMMKRI-UKRRQHHQSA-N	1	1	400.504	1.934	20	0		HDADMO
C[C@@H](CNC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)CN1CC[NH+](C)CC1	ZINC000429374045	1075263291	/nfs/dbraw/zinc/26/32/91/1075263291.db2.gz	UIUIFEPCARFQMB-IRXDYDNUSA-N	1	1	400.527	1.904	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)s1	ZINC000565804236	1075270987	/nfs/dbraw/zinc/27/09/87/1075270987.db2.gz	KLGZDVBBNOEPNF-UHFFFAOYSA-N	1	1	404.496	2.269	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)COCc3cc(C)no3)cc2)CC1	ZINC000509368682	1075271040	/nfs/dbraw/zinc/27/10/40/1075271040.db2.gz	DAVOOUHTCXKTBX-UHFFFAOYSA-N	1	1	400.479	1.845	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[C@H](CS(C)(=O)=O)C3)CC2)cc1	ZINC000429376548	1075271848	/nfs/dbraw/zinc/27/18/48/1075271848.db2.gz	GASPDIAWWHLDJW-FQEVSTJZSA-N	1	1	407.580	1.396	20	0		HDADMO
CCCCn1c2nc(C[N@@H+]3CC[C@H](C(=O)OC)[C@@H]3C(C)C)n(C)c2c(=O)[nH]c1=O	ZINC000429376529	1075271907	/nfs/dbraw/zinc/27/19/07/1075271907.db2.gz	AOYHWSAKSPWMDT-ZFWWWQNUSA-N	1	1	405.499	1.655	20	0		HDADMO
CCCCn1c2nc(C[N@H+]3CC[C@H](C(=O)OC)[C@@H]3C(C)C)n(C)c2c(=O)[nH]c1=O	ZINC000429376529	1075271908	/nfs/dbraw/zinc/27/19/08/1075271908.db2.gz	AOYHWSAKSPWMDT-ZFWWWQNUSA-N	1	1	405.499	1.655	20	0		HDADMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1	ZINC000543645245	1075272809	/nfs/dbraw/zinc/27/28/09/1075272809.db2.gz	BIOWLECFDGGOJL-CQSZACIVSA-N	1	1	424.523	1.110	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N(CC(C)(C)O)C1CC1	ZINC000429380367	1075275512	/nfs/dbraw/zinc/27/55/12/1075275512.db2.gz	FXELJDVUSWZFIW-UHFFFAOYSA-N	1	1	404.511	1.850	20	0		HDADMO
O=S(=O)(Cc1ccccc1)N1CCC(Nc2cc[nH+]c(N3CCOCC3)n2)CC1	ZINC000541836267	1075276075	/nfs/dbraw/zinc/27/60/75/1075276075.db2.gz	VIXDHHPUSWXVKY-UHFFFAOYSA-N	1	1	417.535	1.720	20	0		HDADMO
COc1cccc([C@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CCO2)c1	ZINC000675821637	1075277633	/nfs/dbraw/zinc/27/76/33/1075277633.db2.gz	KFLJGWAXUNGDSP-WIYYLYMNSA-N	1	1	402.539	1.947	20	0		HDADMO
COc1cccc([C@H]2CN(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CCO2)c1	ZINC000675821637	1075277636	/nfs/dbraw/zinc/27/76/36/1075277636.db2.gz	KFLJGWAXUNGDSP-WIYYLYMNSA-N	1	1	402.539	1.947	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1nnnn1C1CC1	ZINC000675822643	1075277981	/nfs/dbraw/zinc/27/79/81/1075277981.db2.gz	JJZHPIBVLIHTOQ-UHFFFAOYSA-N	1	1	404.906	1.283	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC(C)(C)[C@H]3C(C)C)n2)c1C	ZINC000556602166	1075278013	/nfs/dbraw/zinc/27/80/13/1075278013.db2.gz	RZNWSQHRRGNDDS-QGZVFWFLSA-N	1	1	414.510	2.178	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC(c2nc3ccccc3[nH]2)C1	ZINC000675829460	1075279618	/nfs/dbraw/zinc/27/96/18/1075279618.db2.gz	XLOXZNPYWPDWLD-IBGZPJMESA-N	1	1	411.506	1.202	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCc4occc43)n2)c1C	ZINC000434789730	1075280616	/nfs/dbraw/zinc/28/06/16/1075280616.db2.gz	NPTJKFNVPGBGOT-HNNXBMFYSA-N	1	1	424.461	2.072	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000503498955	1075284275	/nfs/dbraw/zinc/28/42/75/1075284275.db2.gz	PNPVULJGZFECNK-ZWKOTPCHSA-N	1	1	411.506	1.981	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429381982	1075286895	/nfs/dbraw/zinc/28/68/95/1075286895.db2.gz	OCFGMPCLVAOIBM-IRXDYDNUSA-N	1	1	422.595	1.187	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc21	ZINC000675883318	1075288793	/nfs/dbraw/zinc/28/87/93/1075288793.db2.gz	LVRMQACULNGMCL-GOSISDBHSA-N	1	1	414.510	1.453	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnnn2-c2ccccc2Cl)CC1	ZINC000675918055	1075291489	/nfs/dbraw/zinc/29/14/89/1075291489.db2.gz	NHLIRGBXHMFTNE-INIZCTEOSA-N	1	1	402.886	1.299	20	0		HDADMO
O=C(C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2)N1CCCCC1	ZINC001035208245	1075293508	/nfs/dbraw/zinc/29/35/08/1075293508.db2.gz	SEYDSIDCOXNRIT-IYWGDAJJSA-N	1	1	401.551	1.737	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)[nH+]c1	ZINC000548444965	1075301703	/nfs/dbraw/zinc/30/17/03/1075301703.db2.gz	NRWAWSAOGNOCJE-UHFFFAOYSA-N	1	1	403.512	2.104	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)[nH+]c1	ZINC000548445012	1075303490	/nfs/dbraw/zinc/30/34/90/1075303490.db2.gz	YNJMROCNXOUGML-UHFFFAOYSA-N	1	1	407.478	2.316	20	0		HDADMO
Cc1noc(C[C@@H](NC(=O)N(C)CCC[NH+]2CCN(C)CC2)c2ccccc2)n1	ZINC000429386306	1075304966	/nfs/dbraw/zinc/30/49/66/1075304966.db2.gz	JHKVRUNOWGXQMO-LJQANCHMSA-N	1	1	400.527	1.941	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)C2)nc(C)[nH+]1	ZINC000731297505	1075306579	/nfs/dbraw/zinc/30/65/79/1075306579.db2.gz	WASUDZYMZBHSDL-OAHLLOKOSA-N	1	1	409.446	1.721	20	0		HDADMO
NC(=O)C[NH+]1CCC(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CC1	ZINC000731365041	1075309932	/nfs/dbraw/zinc/30/99/32/1075309932.db2.gz	ABPINOXLOOTVAO-UHFFFAOYSA-N	1	1	402.476	1.261	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)[C@@H](C)C1	ZINC000429387187	1075314200	/nfs/dbraw/zinc/31/42/00/1075314200.db2.gz	KORCEAAQJXGVQD-YJBOKZPZSA-N	1	1	415.494	1.941	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)[C@@H](C)C1	ZINC000429387187	1075314202	/nfs/dbraw/zinc/31/42/02/1075314202.db2.gz	KORCEAAQJXGVQD-YJBOKZPZSA-N	1	1	415.494	1.941	20	0		HDADMO
COc1cccc2c1OCC[C@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000675976001	1075317958	/nfs/dbraw/zinc/31/79/58/1075317958.db2.gz	CNSBWOQMTUMQAL-SJORKVTESA-N	1	1	402.495	1.467	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)nc2ccccc12	ZINC000675994326	1075319842	/nfs/dbraw/zinc/31/98/42/1075319842.db2.gz	AJWYXERMQYCLCH-KRWDZBQOSA-N	1	1	409.538	1.524	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000675997059	1075320654	/nfs/dbraw/zinc/32/06/54/1075320654.db2.gz	WUPFRMCTCDIMKQ-QGZVFWFLSA-N	1	1	424.567	1.586	20	0		HDADMO
O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CCCCC2)C1=O	ZINC000676020105	1075326369	/nfs/dbraw/zinc/32/63/69/1075326369.db2.gz	HQXYPYZXWWZXPI-NZQKXSOJSA-N	1	1	414.550	1.856	20	0		HDADMO
CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1	ZINC000676022526	1075327049	/nfs/dbraw/zinc/32/70/49/1075327049.db2.gz	HQSXMSHKFKBOJC-LJQANCHMSA-N	1	1	415.925	1.803	20	0		HDADMO
C[N@H+](CCOC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000676044076	1075339440	/nfs/dbraw/zinc/33/94/40/1075339440.db2.gz	XJDRKIXCNZOMML-UHFFFAOYSA-N	1	1	415.531	1.406	20	0		HDADMO
C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000676044076	1075339446	/nfs/dbraw/zinc/33/94/46/1075339446.db2.gz	XJDRKIXCNZOMML-UHFFFAOYSA-N	1	1	415.531	1.406	20	0		HDADMO
O=C(CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429393209	1075347259	/nfs/dbraw/zinc/34/72/59/1075347259.db2.gz	JGVMBJDULFFJSG-UHFFFAOYSA-N	1	1	400.483	1.859	20	0		HDADMO
CS[C@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000804083723	1075354396	/nfs/dbraw/zinc/35/43/96/1075354396.db2.gz	FABGUMBTQBISND-WMZOPIPTSA-N	1	1	405.568	1.110	20	0		HDADMO
O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676094554	1075356088	/nfs/dbraw/zinc/35/60/88/1075356088.db2.gz	JRFIPQFFKBSDIQ-IBGZPJMESA-N	1	1	418.501	1.887	20	0		HDADMO
O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676094554	1075356096	/nfs/dbraw/zinc/35/60/96/1075356096.db2.gz	JRFIPQFFKBSDIQ-IBGZPJMESA-N	1	1	418.501	1.887	20	0		HDADMO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@H](C)C1	ZINC000676096446	1075359055	/nfs/dbraw/zinc/35/90/55/1075359055.db2.gz	LMSOHIHRGAMUJO-APWZRJJASA-N	1	1	414.510	1.459	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@H](C)C1	ZINC000676096446	1075359061	/nfs/dbraw/zinc/35/90/61/1075359061.db2.gz	LMSOHIHRGAMUJO-APWZRJJASA-N	1	1	414.510	1.459	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccc4F)c3)CC2)C1	ZINC000676096201	1075360725	/nfs/dbraw/zinc/36/07/25/1075360725.db2.gz	JKVKUCZZBYOZDF-QGZVFWFLSA-N	1	1	414.485	1.188	20	0		HDADMO
Cc1c(C(=O)NCC(=O)NCc2ccccc2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731459318	1075364993	/nfs/dbraw/zinc/36/49/93/1075364993.db2.gz	CCVXKQHOGROXPY-UHFFFAOYSA-N	1	1	418.501	1.610	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000804084369	1075367234	/nfs/dbraw/zinc/36/72/34/1075367234.db2.gz	UHKCXZRMLWZDHQ-HNNXBMFYSA-N	1	1	401.429	1.716	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C	ZINC000804086923	1075368118	/nfs/dbraw/zinc/36/81/18/1075368118.db2.gz	BJZXGOTYQMMISN-TWMKSMIVSA-N	1	1	410.559	1.880	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C	ZINC000804086923	1075368122	/nfs/dbraw/zinc/36/81/22/1075368122.db2.gz	BJZXGOTYQMMISN-TWMKSMIVSA-N	1	1	410.559	1.880	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)C1	ZINC000731480965	1075372062	/nfs/dbraw/zinc/37/20/62/1075372062.db2.gz	JRXFKBORILTCKX-KRWDZBQOSA-N	1	1	408.543	1.400	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)cn1	ZINC000676090533	1075374886	/nfs/dbraw/zinc/37/48/86/1075374886.db2.gz	XZJPIGAGIGNZEU-INIZCTEOSA-N	1	1	404.540	1.398	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731530466	1075376920	/nfs/dbraw/zinc/37/69/20/1075376920.db2.gz	BYJWLDQRNNAYEM-SJORKVTESA-N	1	1	418.494	1.853	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731530466	1075376922	/nfs/dbraw/zinc/37/69/22/1075376922.db2.gz	BYJWLDQRNNAYEM-SJORKVTESA-N	1	1	418.494	1.853	20	0		HDADMO
COc1ccccc1CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001035452755	1075377774	/nfs/dbraw/zinc/37/77/74/1075377774.db2.gz	SGPNNFSPLHHBBZ-BHNQRHOYSA-N	1	1	400.519	1.868	20	0		HDADMO
COc1ccccc1CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001035452755	1075377782	/nfs/dbraw/zinc/37/77/82/1075377782.db2.gz	SGPNNFSPLHHBBZ-BHNQRHOYSA-N	1	1	400.519	1.868	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1	ZINC000804087440	1075378017	/nfs/dbraw/zinc/37/80/17/1075378017.db2.gz	JLHMAKKSYMQTGD-BRWVUGGUSA-N	1	1	408.543	1.539	20	0		HDADMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804088387	1075379940	/nfs/dbraw/zinc/37/99/40/1075379940.db2.gz	MIBBWSCYSYCTET-BRSBDYLESA-N	1	1	422.570	1.881	20	0		HDADMO
CN(CCOC(C)(C)C)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000676102053	1075382768	/nfs/dbraw/zinc/38/27/68/1075382768.db2.gz	SPRNAKUFULWFSM-UHFFFAOYSA-N	1	1	404.511	1.286	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1	ZINC000676129451	1075390238	/nfs/dbraw/zinc/39/02/38/1075390238.db2.gz	KQBUJNHLBUEWBL-UYAOXDASSA-N	1	1	400.527	1.449	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCC2(CCO)CCC2)cc1	ZINC000676129168	1075390293	/nfs/dbraw/zinc/39/02/93/1075390293.db2.gz	UFNLWGHHDFNVLL-UHFFFAOYSA-N	1	1	417.554	1.571	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804092389	1075391497	/nfs/dbraw/zinc/39/14/97/1075391497.db2.gz	JWTORBYBXJHKDA-TWMKSMIVSA-N	1	1	410.559	1.737	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1	ZINC000676123934	1075394924	/nfs/dbraw/zinc/39/49/24/1075394924.db2.gz	DJNCWDQSVQSJPQ-CTNGQTDRSA-N	1	1	410.518	1.980	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2)cc1	ZINC000433840295	1075407514	/nfs/dbraw/zinc/40/75/14/1075407514.db2.gz	CRSOUJNLNYLRJM-CALCHBBNSA-N	1	1	401.511	2.513	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2)cc1	ZINC000433840295	1075407518	/nfs/dbraw/zinc/40/75/18/1075407518.db2.gz	CRSOUJNLNYLRJM-CALCHBBNSA-N	1	1	401.511	2.513	20	0		HDADMO
CCSc1nnc(NC(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)s1	ZINC000605026974	1075413057	/nfs/dbraw/zinc/41/30/57/1075413057.db2.gz	JFMAZHRCXNSLPZ-AWEZNQCLSA-N	1	1	414.601	1.909	20	0		HDADMO
CC(=O)c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c(S(N)(=O)=O)c1	ZINC000676197569	1075433166	/nfs/dbraw/zinc/43/31/66/1075433166.db2.gz	PZPAFIWOMKYKFQ-UHFFFAOYSA-N	1	1	403.504	1.981	20	0		HDADMO
Cc1cc(C)c(N2C[C@@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)c(C)c1	ZINC000731655307	1075438672	/nfs/dbraw/zinc/43/86/72/1075438672.db2.gz	KECFJIARIWIFDN-SFHVURJKSA-N	1	1	414.550	1.634	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1	ZINC000731655218	1075439090	/nfs/dbraw/zinc/43/90/90/1075439090.db2.gz	CUHPFHPDTUATTC-MRXNPFEDSA-N	1	1	420.941	1.357	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676241872	1075443511	/nfs/dbraw/zinc/44/35/11/1075443511.db2.gz	JHTABVAMQGBEBM-MAUKXSAKSA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676241872	1075443517	/nfs/dbraw/zinc/44/35/17/1075443517.db2.gz	JHTABVAMQGBEBM-MAUKXSAKSA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676241874	1075443610	/nfs/dbraw/zinc/44/36/10/1075443610.db2.gz	JHTABVAMQGBEBM-YJBOKZPZSA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676241874	1075443613	/nfs/dbraw/zinc/44/36/13/1075443613.db2.gz	JHTABVAMQGBEBM-YJBOKZPZSA-N	1	1	412.556	1.033	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CN(C)CCO1	ZINC000676243078	1075444152	/nfs/dbraw/zinc/44/41/52/1075444152.db2.gz	HYBBFSXGEIBWHN-BMQTXXJKSA-N	1	1	404.555	1.814	20	0		HDADMO
C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1C[N@H+](C)CCO1	ZINC000676242502	1075444974	/nfs/dbraw/zinc/44/49/74/1075444974.db2.gz	WBJZZBAQZQYZEH-BXKDBHETSA-N	1	1	420.823	1.920	20	0		HDADMO
C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1C[N@@H+](C)CCO1	ZINC000676242502	1075444976	/nfs/dbraw/zinc/44/49/76/1075444976.db2.gz	WBJZZBAQZQYZEH-BXKDBHETSA-N	1	1	420.823	1.920	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000442052257	1075445855	/nfs/dbraw/zinc/44/58/55/1075445855.db2.gz	GJLXPZVRUOIJAA-INIZCTEOSA-N	1	1	405.543	1.939	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C	ZINC000442052257	1075445857	/nfs/dbraw/zinc/44/58/57/1075445857.db2.gz	GJLXPZVRUOIJAA-INIZCTEOSA-N	1	1	405.543	1.939	20	0		HDADMO
C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@@H]1CN(C)CCO1	ZINC000676245007	1075446798	/nfs/dbraw/zinc/44/67/98/1075446798.db2.gz	YMPMDHFDSYYHRJ-XLIONFOSSA-N	1	1	423.989	1.870	20	0		HDADMO
C[C@@H](NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CN(C)CCO1	ZINC000676246414	1075447458	/nfs/dbraw/zinc/44/74/58/1075447458.db2.gz	HPRWIZFBNIBULJ-APWZRJJASA-N	1	1	409.962	1.480	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676248071	1075447836	/nfs/dbraw/zinc/44/78/36/1075447836.db2.gz	MCNUBKFDPVEZMD-AXVVYFOYSA-N	1	1	418.538	1.454	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248071	1075447839	/nfs/dbraw/zinc/44/78/39/1075447839.db2.gz	MCNUBKFDPVEZMD-AXVVYFOYSA-N	1	1	418.538	1.454	20	0		HDADMO
COc1ncnc(N(C)C)c1NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000676227370	1075448549	/nfs/dbraw/zinc/44/85/49/1075448549.db2.gz	PNMMRGBYROOAMZ-UHFFFAOYSA-N	1	1	422.493	1.681	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000731688086	1075450938	/nfs/dbraw/zinc/45/09/38/1075450938.db2.gz	VDNIZJKBXDTPNT-UHFFFAOYSA-N	1	1	402.539	1.726	20	0		HDADMO
C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676257815	1075452716	/nfs/dbraw/zinc/45/27/16/1075452716.db2.gz	KKUWHJPRICUSJA-SWLSCSKDSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257815	1075452717	/nfs/dbraw/zinc/45/27/17/1075452717.db2.gz	KKUWHJPRICUSJA-SWLSCSKDSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676259083	1075453780	/nfs/dbraw/zinc/45/37/80/1075453780.db2.gz	QSYGBMNAWXWZAO-JTDSTZFVSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259083	1075453784	/nfs/dbraw/zinc/45/37/84/1075453784.db2.gz	QSYGBMNAWXWZAO-JTDSTZFVSA-N	1	1	409.552	1.556	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676258910	1075454206	/nfs/dbraw/zinc/45/42/06/1075454206.db2.gz	OVGKKEDMFKCDRM-QFBILLFUSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676258910	1075454210	/nfs/dbraw/zinc/45/42/10/1075454210.db2.gz	OVGKKEDMFKCDRM-QFBILLFUSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676258944	1075454361	/nfs/dbraw/zinc/45/43/61/1075454361.db2.gz	GRFTVEDLBRJSRH-LPHOPBHVSA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258944	1075454363	/nfs/dbraw/zinc/45/43/63/1075454363.db2.gz	GRFTVEDLBRJSRH-LPHOPBHVSA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676258875	1075454812	/nfs/dbraw/zinc/45/48/12/1075454812.db2.gz	OOGOIFPJCYGEIM-FZMZJTMJSA-N	1	1	414.432	1.528	20	0		HDADMO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258875	1075454815	/nfs/dbraw/zinc/45/48/15/1075454815.db2.gz	OOGOIFPJCYGEIM-FZMZJTMJSA-N	1	1	414.432	1.528	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258524	1075455484	/nfs/dbraw/zinc/45/54/84/1075455484.db2.gz	CLANDKNMGGTBJP-NSHGMRRFSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258524	1075455488	/nfs/dbraw/zinc/45/54/88/1075455488.db2.gz	CLANDKNMGGTBJP-NSHGMRRFSA-N	1	1	403.523	1.529	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)CCc2ccccc2F)CC1	ZINC000731671834	1075456867	/nfs/dbraw/zinc/45/68/67/1075456867.db2.gz	WIFSWRXUEQQRHU-UHFFFAOYSA-N	1	1	411.485	1.326	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](C)CCc2ccccc2F)CC1	ZINC000731671834	1075456869	/nfs/dbraw/zinc/45/68/69/1075456869.db2.gz	WIFSWRXUEQQRHU-UHFFFAOYSA-N	1	1	411.485	1.326	20	0		HDADMO
C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@@H]1C[N@H+](C)CCO1	ZINC000676259447	1075457032	/nfs/dbraw/zinc/45/70/32/1075457032.db2.gz	VNFFEAOUKGVMNR-HIFRSBDPSA-N	1	1	404.536	1.562	20	0		HDADMO
C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259447	1075457038	/nfs/dbraw/zinc/45/70/38/1075457038.db2.gz	VNFFEAOUKGVMNR-HIFRSBDPSA-N	1	1	404.536	1.562	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc(N(C)C)c2)C3)O1	ZINC001006076494	1075458046	/nfs/dbraw/zinc/45/80/46/1075458046.db2.gz	OSXKKRUYNZORPG-MRBRGOBGSA-N	1	1	400.523	1.333	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc(N(C)C)c2)C3)O1	ZINC001006076494	1075458049	/nfs/dbraw/zinc/45/80/49/1075458049.db2.gz	OSXKKRUYNZORPG-MRBRGOBGSA-N	1	1	400.523	1.333	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c(C)c1	ZINC000676260737	1075458109	/nfs/dbraw/zinc/45/81/09/1075458109.db2.gz	WVNUVPBBHRLDNF-IEBWSBKVSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c(C)c1	ZINC000676260737	1075458115	/nfs/dbraw/zinc/45/81/15/1075458115.db2.gz	WVNUVPBBHRLDNF-IEBWSBKVSA-N	1	1	423.579	1.539	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676262040	1075460212	/nfs/dbraw/zinc/46/02/12/1075460212.db2.gz	VCDGHPBXKGLOEH-RDTXWAMCSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262040	1075460218	/nfs/dbraw/zinc/46/02/18/1075460218.db2.gz	VCDGHPBXKGLOEH-RDTXWAMCSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676262258	1075461165	/nfs/dbraw/zinc/46/11/65/1075461165.db2.gz	WXQAKHMQIQCFOP-DCAQKATOSA-N	1	1	404.330	1.464	20	0		HDADMO
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262258	1075461169	/nfs/dbraw/zinc/46/11/69/1075461169.db2.gz	WXQAKHMQIQCFOP-DCAQKATOSA-N	1	1	404.330	1.464	20	0		HDADMO
COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676262473	1075461699	/nfs/dbraw/zinc/46/16/99/1075461699.db2.gz	ZNFRWJURXPZKJM-BBRMVZONSA-N	1	1	413.540	1.221	20	0		HDADMO
COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676262473	1075461705	/nfs/dbraw/zinc/46/17/05/1075461705.db2.gz	ZNFRWJURXPZKJM-BBRMVZONSA-N	1	1	413.540	1.221	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676263291	1075462657	/nfs/dbraw/zinc/46/26/57/1075462657.db2.gz	WVLJOHMIZZXPCU-QGTPRVQTSA-N	1	1	405.499	1.828	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676263291	1075462661	/nfs/dbraw/zinc/46/26/61/1075462661.db2.gz	WVLJOHMIZZXPCU-QGTPRVQTSA-N	1	1	405.499	1.828	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676263763	1075462680	/nfs/dbraw/zinc/46/26/80/1075462680.db2.gz	CCRWTZHTCDOOIZ-SWLSCSKDSA-N	1	1	416.519	1.743	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676263763	1075462683	/nfs/dbraw/zinc/46/26/83/1075462683.db2.gz	CCRWTZHTCDOOIZ-SWLSCSKDSA-N	1	1	416.519	1.743	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1	ZINC000676265282	1075463648	/nfs/dbraw/zinc/46/36/48/1075463648.db2.gz	VSIGISNPOOLILO-UHFFFAOYSA-N	1	1	420.485	1.366	20	0		HDADMO
Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676264715	1075463834	/nfs/dbraw/zinc/46/38/34/1075463834.db2.gz	YPYSIXFPOSKWMP-ZBFHGGJFSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676264715	1075463836	/nfs/dbraw/zinc/46/38/36/1075463836.db2.gz	YPYSIXFPOSKWMP-ZBFHGGJFSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1C	ZINC000676249148	1075465432	/nfs/dbraw/zinc/46/54/32/1075465432.db2.gz	FEXXQRRTKKCOPE-PKOBYXMFSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1C	ZINC000676249148	1075465433	/nfs/dbraw/zinc/46/54/33/1075465433.db2.gz	FEXXQRRTKKCOPE-PKOBYXMFSA-N	1	1	424.567	1.038	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676248578	1075466009	/nfs/dbraw/zinc/46/60/09/1075466009.db2.gz	FRGHXBPAACAVHY-JTDSTZFVSA-N	1	1	403.527	1.632	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248578	1075466015	/nfs/dbraw/zinc/46/60/15/1075466015.db2.gz	FRGHXBPAACAVHY-JTDSTZFVSA-N	1	1	403.527	1.632	20	0		HDADMO
Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676249583	1075467353	/nfs/dbraw/zinc/46/73/53/1075467353.db2.gz	HWEWVXHCJZJFAD-IUODEOHRSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676249583	1075467358	/nfs/dbraw/zinc/46/73/58/1075467358.db2.gz	HWEWVXHCJZJFAD-IUODEOHRSA-N	1	1	413.316	1.714	20	0		HDADMO
CC[C@@H](c1nnc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s1)c1ccccc1	ZINC000438020684	1075467227	/nfs/dbraw/zinc/46/72/27/1075467227.db2.gz	FPPJKPDJLZETAM-OXQOHEQNSA-N	1	1	419.551	2.285	20	0		HDADMO
C[C@@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676250482	1075467823	/nfs/dbraw/zinc/46/78/23/1075467823.db2.gz	ZFDSUJWDONZFHY-CRAIPNDOSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250482	1075467827	/nfs/dbraw/zinc/46/78/27/1075467827.db2.gz	ZFDSUJWDONZFHY-CRAIPNDOSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250484	1075467934	/nfs/dbraw/zinc/46/79/34/1075467934.db2.gz	ZFDSUJWDONZFHY-QAPCUYQASA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250484	1075467936	/nfs/dbraw/zinc/46/79/36/1075467936.db2.gz	ZFDSUJWDONZFHY-QAPCUYQASA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676250709	1075467972	/nfs/dbraw/zinc/46/79/72/1075467972.db2.gz	IQEWGCIKZIDRCK-MAUKXSAKSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250709	1075467975	/nfs/dbraw/zinc/46/79/75/1075467975.db2.gz	IQEWGCIKZIDRCK-MAUKXSAKSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@@H]1C[N@H+](C)CCO1	ZINC000676251959	1075468468	/nfs/dbraw/zinc/46/84/68/1075468468.db2.gz	SQSQEIPDCVWMMZ-HZMBPMFUSA-N	1	1	400.273	1.696	20	0		HDADMO
C[C@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251959	1075468469	/nfs/dbraw/zinc/46/84/69/1075468469.db2.gz	SQSQEIPDCVWMMZ-HZMBPMFUSA-N	1	1	400.273	1.696	20	0		HDADMO
COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676251465	1075469079	/nfs/dbraw/zinc/46/90/79/1075469079.db2.gz	NAPIYNQGRBVTEP-DNVCBOLYSA-N	1	1	410.946	1.895	20	0		HDADMO
COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676251465	1075469080	/nfs/dbraw/zinc/46/90/80/1075469080.db2.gz	NAPIYNQGRBVTEP-DNVCBOLYSA-N	1	1	410.946	1.895	20	0		HDADMO
COc1cc(OC)cc([C@H](NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c2nccn2C)c1	ZINC000676251426	1075469705	/nfs/dbraw/zinc/46/97/05/1075469705.db2.gz	MKPSJESRONSPIM-CCKFTAQKSA-N	1	1	417.510	1.545	20	0		HDADMO
COc1cc(OC)cc([C@H](NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c2nccn2C)c1	ZINC000676251426	1075469708	/nfs/dbraw/zinc/46/97/08/1075469708.db2.gz	MKPSJESRONSPIM-CCKFTAQKSA-N	1	1	417.510	1.545	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676254821	1075472194	/nfs/dbraw/zinc/47/21/94/1075472194.db2.gz	MNKLADDIKUDJBJ-MAUKXSAKSA-N	1	1	412.556	1.948	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676254821	1075472202	/nfs/dbraw/zinc/47/22/02/1075472202.db2.gz	MNKLADDIKUDJBJ-MAUKXSAKSA-N	1	1	412.556	1.948	20	0		HDADMO
Cc1c[nH+]c(N[C@@H](CCO)C2CCOCC2)nc1N[C@@H](CCO)C1CCOCC1	ZINC000460951966	1075472391	/nfs/dbraw/zinc/47/23/91/1075472391.db2.gz	NEJAIPHVOLDOJR-OALUTQOASA-N	1	1	408.543	1.964	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1=O	ZINC000731689662	1075472763	/nfs/dbraw/zinc/47/27/63/1075472763.db2.gz	OCJYPYWCMZJEFW-RCCFBDPRSA-N	1	1	422.570	1.787	20	0		HDADMO
Cc1c[nH+]c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000444073574	1075472827	/nfs/dbraw/zinc/47/28/27/1075472827.db2.gz	KJOQJQMHWZMHTC-LSDHHAIUSA-N	1	1	402.543	2.408	20	0		HDADMO
Cc1c[nH+]c(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc1N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000444073567	1075472843	/nfs/dbraw/zinc/47/28/43/1075472843.db2.gz	KJOQJQMHWZMHTC-GJZGRUSLSA-N	1	1	402.543	2.408	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000676288676	1075472945	/nfs/dbraw/zinc/47/29/45/1075472945.db2.gz	FVNKQHSHJAVNME-LJQANCHMSA-N	1	1	415.582	1.976	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676277922	1075477018	/nfs/dbraw/zinc/47/70/18/1075477018.db2.gz	CCBKMPLPMWGBCK-DNVCBOLYSA-N	1	1	416.522	1.523	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277922	1075477019	/nfs/dbraw/zinc/47/70/19/1075477019.db2.gz	CCBKMPLPMWGBCK-DNVCBOLYSA-N	1	1	416.522	1.523	20	0		HDADMO
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)c2)n1	ZINC000676277849	1075477610	/nfs/dbraw/zinc/47/76/10/1075477610.db2.gz	BWEFINDAIXBLTD-GUYCJALGSA-N	1	1	413.478	1.185	20	0		HDADMO
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)c2)n1	ZINC000676277849	1075477613	/nfs/dbraw/zinc/47/76/13/1075477613.db2.gz	BWEFINDAIXBLTD-GUYCJALGSA-N	1	1	413.478	1.185	20	0		HDADMO
Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676278254	1075477927	/nfs/dbraw/zinc/47/79/27/1075477927.db2.gz	GVKBREVVLKGWRM-CRAIPNDOSA-N	1	1	406.552	1.322	20	0		HDADMO
Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676278254	1075477933	/nfs/dbraw/zinc/47/79/33/1075477933.db2.gz	GVKBREVVLKGWRM-CRAIPNDOSA-N	1	1	406.552	1.322	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278994	1075479248	/nfs/dbraw/zinc/47/92/48/1075479248.db2.gz	LFKLLHHMRUXTLQ-HNAYVOBHSA-N	1	1	407.474	1.775	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278994	1075479251	/nfs/dbraw/zinc/47/92/51/1075479251.db2.gz	LFKLLHHMRUXTLQ-HNAYVOBHSA-N	1	1	407.474	1.775	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278859	1075480290	/nfs/dbraw/zinc/48/02/90/1075480290.db2.gz	LIQSFWIFWBZULV-DYVFJYSZSA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278859	1075480297	/nfs/dbraw/zinc/48/02/97/1075480297.db2.gz	LIQSFWIFWBZULV-DYVFJYSZSA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278860	1075480382	/nfs/dbraw/zinc/48/03/82/1075480382.db2.gz	LIQSFWIFWBZULV-GUYCJALGSA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278860	1075480389	/nfs/dbraw/zinc/48/03/89/1075480389.db2.gz	LIQSFWIFWBZULV-GUYCJALGSA-N	1	1	404.492	1.496	20	0		HDADMO
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc2F)n1	ZINC000676278682	1075480488	/nfs/dbraw/zinc/48/04/88/1075480488.db2.gz	JXLJCHHUFSNCCV-KBXCAEBGSA-N	1	1	403.458	1.402	20	0		HDADMO
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc2F)n1	ZINC000676278682	1075480491	/nfs/dbraw/zinc/48/04/91/1075480491.db2.gz	JXLJCHHUFSNCCV-KBXCAEBGSA-N	1	1	403.458	1.402	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1C[N@H+](C)CCO1	ZINC000676279954	1075482170	/nfs/dbraw/zinc/48/21/70/1075482170.db2.gz	RIGXTSVJSLTBRM-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279954	1075482176	/nfs/dbraw/zinc/48/21/76/1075482176.db2.gz	RIGXTSVJSLTBRM-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676279745	1075483255	/nfs/dbraw/zinc/48/32/55/1075483255.db2.gz	PPLLWQCKPBJRSG-MEBBXXQBSA-N	1	1	416.400	1.438	20	0		HDADMO
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676279745	1075483259	/nfs/dbraw/zinc/48/32/59/1075483259.db2.gz	PPLLWQCKPBJRSG-MEBBXXQBSA-N	1	1	416.400	1.438	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)[C@H]1C[N@H+](C)CCO1	ZINC000676279487	1075485091	/nfs/dbraw/zinc/48/50/91/1075485091.db2.gz	OJWJXXXOBYUIMG-TXPKVOOTSA-N	1	1	405.495	1.408	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279487	1075485094	/nfs/dbraw/zinc/48/50/94/1075485094.db2.gz	OJWJXXXOBYUIMG-TXPKVOOTSA-N	1	1	405.495	1.408	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1OCC(F)(F)F	ZINC000676280813	1075485601	/nfs/dbraw/zinc/48/56/01/1075485601.db2.gz	SZZCBTRILNBDQS-DOMZBBRYSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1OCC(F)(F)F	ZINC000676280813	1075485603	/nfs/dbraw/zinc/48/56/03/1075485603.db2.gz	SZZCBTRILNBDQS-DOMZBBRYSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OC1CCOCC1	ZINC000676280848	1075485615	/nfs/dbraw/zinc/48/56/15/1075485615.db2.gz	UDDZOFZNSDMYDJ-DNVCBOLYSA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OC1CCOCC1	ZINC000676280848	1075485629	/nfs/dbraw/zinc/48/56/29/1075485629.db2.gz	UDDZOFZNSDMYDJ-DNVCBOLYSA-N	1	1	405.495	1.327	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280348	1075487249	/nfs/dbraw/zinc/48/72/49/1075487249.db2.gz	RXLDCSWZAAYRBZ-BZNIZROVSA-N	1	1	417.441	1.527	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1Br	ZINC000711749112	1075487349	/nfs/dbraw/zinc/48/73/49/1075487349.db2.gz	KYGUDUXTWKKTFI-GOSISDBHSA-N	1	1	407.312	1.892	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280348	1075487253	/nfs/dbraw/zinc/48/72/53/1075487253.db2.gz	RXLDCSWZAAYRBZ-BZNIZROVSA-N	1	1	417.441	1.527	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OCC(F)(F)F	ZINC000676281583	1075488844	/nfs/dbraw/zinc/48/88/44/1075488844.db2.gz	YTFTYBSFRATHFX-SWLSCSKDSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OCC(F)(F)F	ZINC000676281583	1075488847	/nfs/dbraw/zinc/48/88/47/1075488847.db2.gz	YTFTYBSFRATHFX-SWLSCSKDSA-N	1	1	403.401	1.710	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CN(C)CCO1	ZINC000676281285	1075489166	/nfs/dbraw/zinc/48/91/66/1075489166.db2.gz	VQLLIKVQWKTJGD-MBOZVWFJSA-N	1	1	402.539	1.692	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1NC(=O)C(C)(C)C	ZINC000676283250	1075490383	/nfs/dbraw/zinc/49/03/83/1075490383.db2.gz	YGOCSUNEKRVZPZ-PBHICJAKSA-N	1	1	404.511	1.753	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1NC(=O)C(C)(C)C	ZINC000676283250	1075490387	/nfs/dbraw/zinc/49/03/87/1075490387.db2.gz	YGOCSUNEKRVZPZ-PBHICJAKSA-N	1	1	404.511	1.753	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1C	ZINC000537285602	1075490737	/nfs/dbraw/zinc/49/07/37/1075490737.db2.gz	OEFOIHBZPJREIZ-KFKAGJAMSA-N	1	1	413.522	1.853	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676288835	1075492737	/nfs/dbraw/zinc/49/27/37/1075492737.db2.gz	SORZHXGWEKESPQ-APWZRJJASA-N	1	1	424.567	1.166	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676288835	1075492738	/nfs/dbraw/zinc/49/27/38/1075492738.db2.gz	SORZHXGWEKESPQ-APWZRJJASA-N	1	1	424.567	1.166	20	0		HDADMO
C[C@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1C[N@H+](C)CCO1	ZINC000676307354	1075493254	/nfs/dbraw/zinc/49/32/54/1075493254.db2.gz	PBJLLPNUAZIIJZ-MEDUHNTESA-N	1	1	401.410	1.877	20	0		HDADMO
C[C@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1C[N@@H+](C)CCO1	ZINC000676307354	1075493258	/nfs/dbraw/zinc/49/32/58/1075493258.db2.gz	PBJLLPNUAZIIJZ-MEDUHNTESA-N	1	1	401.410	1.877	20	0		HDADMO
O=S(=O)(c1ccc(CNc2nc(N3CCOCC3)cc[nH+]2)cc1)N1CCCC1	ZINC000676308725	1075493532	/nfs/dbraw/zinc/49/35/32/1075493532.db2.gz	MEXASGOOFDKQDU-UHFFFAOYSA-N	1	1	403.508	1.710	20	0		HDADMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676308492	1075493602	/nfs/dbraw/zinc/49/36/02/1075493602.db2.gz	XELUZVLXRRZXBG-AYBZRNKSSA-N	1	1	404.511	1.835	20	0		HDADMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676308492	1075493606	/nfs/dbraw/zinc/49/36/06/1075493606.db2.gz	XELUZVLXRRZXBG-AYBZRNKSSA-N	1	1	404.511	1.835	20	0		HDADMO
COc1ccc2c(c1)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]3CCCO3)CC1)CCO2	ZINC000466726575	1075499715	/nfs/dbraw/zinc/49/97/15/1075499715.db2.gz	BXNVEDMJSITOTM-ICSRJNTNSA-N	1	1	417.506	1.348	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)C2=O)c1	ZINC000676306228	1075503019	/nfs/dbraw/zinc/50/30/19/1075503019.db2.gz	KTFPZLKVBSZOFP-CCKFTAQKSA-N	1	1	420.510	1.170	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)C2=O)c1	ZINC000676306228	1075503025	/nfs/dbraw/zinc/50/30/25/1075503025.db2.gz	KTFPZLKVBSZOFP-CCKFTAQKSA-N	1	1	420.510	1.170	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307111	1075503965	/nfs/dbraw/zinc/50/39/65/1075503965.db2.gz	NQCVDJSAPKLTDA-LXZKKBNFSA-N	1	1	419.444	1.755	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307111	1075503970	/nfs/dbraw/zinc/50/39/70/1075503970.db2.gz	NQCVDJSAPKLTDA-LXZKKBNFSA-N	1	1	419.444	1.755	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676306525	1075504404	/nfs/dbraw/zinc/50/44/04/1075504404.db2.gz	VIFQLQNMAHJASO-NSHGMRRFSA-N	1	1	418.538	1.335	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676306525	1075504405	/nfs/dbraw/zinc/50/44/05/1075504405.db2.gz	VIFQLQNMAHJASO-NSHGMRRFSA-N	1	1	418.538	1.335	20	0		HDADMO
C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307921	1075505129	/nfs/dbraw/zinc/50/51/29/1075505129.db2.gz	TVPHQKDCNAKOHE-BWAGFHJFSA-N	1	1	424.545	1.932	20	0		HDADMO
C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307921	1075505133	/nfs/dbraw/zinc/50/51/33/1075505133.db2.gz	TVPHQKDCNAKOHE-BWAGFHJFSA-N	1	1	424.545	1.932	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000676317022	1075505587	/nfs/dbraw/zinc/50/55/87/1075505587.db2.gz	PEOJSADXDGKBGD-GOSISDBHSA-N	1	1	424.567	1.062	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CCCC[C@@H]3O)c2)CC1	ZINC000429424134	1075507400	/nfs/dbraw/zinc/50/74/00/1075507400.db2.gz	KFYLINOUZUKECN-ROUUACIJSA-N	1	1	410.540	1.438	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CCCC[C@@H]3O)c2)CC1	ZINC000429424134	1075507406	/nfs/dbraw/zinc/50/74/06/1075507406.db2.gz	KFYLINOUZUKECN-ROUUACIJSA-N	1	1	410.540	1.438	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3nccc(N4CCOCC4)n3)c2)C1	ZINC000676310912	1075508995	/nfs/dbraw/zinc/50/89/95/1075508995.db2.gz	QDFSHIJSOJOTCR-IBGZPJMESA-N	1	1	410.522	1.623	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000676336506	1075511324	/nfs/dbraw/zinc/51/13/24/1075511324.db2.gz	RSKVUSBQYNBRDM-SWLSCSKDSA-N	1	1	419.469	1.973	20	0		HDADMO
Cn1cc(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)CC2=O)cn1	ZINC000429423345	1075511773	/nfs/dbraw/zinc/51/17/73/1075511773.db2.gz	AKZPREAONJPXCM-DNVCBOLYSA-N	1	1	416.551	1.923	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000731754705	1075511892	/nfs/dbraw/zinc/51/18/92/1075511892.db2.gz	AHUBOKSWIZLKOA-LSDHHAIUSA-N	1	1	412.487	1.350	20	0		HDADMO
CC(C)[C@H](CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)N1CC[NH+](C)CC1	ZINC000731756260	1075512238	/nfs/dbraw/zinc/51/22/38/1075512238.db2.gz	GXDNBAXBRUFSRZ-ROUUACIJSA-N	1	1	411.591	1.909	20	0		HDADMO
COc1cc(OC)c(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c(OC)c1	ZINC000731757237	1075512858	/nfs/dbraw/zinc/51/28/58/1075512858.db2.gz	VYTWJIVVILHVJL-UHFFFAOYSA-N	1	1	408.499	1.064	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)CC2	ZINC000676347012	1075519613	/nfs/dbraw/zinc/51/96/13/1075519613.db2.gz	FXYXDRSNEXJIAQ-YWZLYKJASA-N	1	1	419.522	1.204	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)CC2	ZINC000676347012	1075519617	/nfs/dbraw/zinc/51/96/17/1075519617.db2.gz	FXYXDRSNEXJIAQ-YWZLYKJASA-N	1	1	419.522	1.204	20	0		HDADMO
C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676332214	1075521306	/nfs/dbraw/zinc/52/13/06/1075521306.db2.gz	JLDHWWSXOHOSQR-ZLGUVYLKSA-N	1	1	421.497	1.729	20	0		HDADMO
C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676332214	1075521310	/nfs/dbraw/zinc/52/13/10/1075521310.db2.gz	JLDHWWSXOHOSQR-ZLGUVYLKSA-N	1	1	421.497	1.729	20	0		HDADMO
C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676332210	1075521341	/nfs/dbraw/zinc/52/13/41/1075521341.db2.gz	JLDHWWSXOHOSQR-ORYQWCPZSA-N	1	1	421.497	1.729	20	0		HDADMO
C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676332210	1075521345	/nfs/dbraw/zinc/52/13/45/1075521345.db2.gz	JLDHWWSXOHOSQR-ORYQWCPZSA-N	1	1	421.497	1.729	20	0		HDADMO
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(OC)c1	ZINC000676332225	1075521360	/nfs/dbraw/zinc/52/13/60/1075521360.db2.gz	JVTSZQXHQZJKNW-BJZITVGISA-N	1	1	405.495	1.144	20	0		HDADMO
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OC)c1	ZINC000676332225	1075521363	/nfs/dbraw/zinc/52/13/63/1075521363.db2.gz	JVTSZQXHQZJKNW-BJZITVGISA-N	1	1	405.495	1.144	20	0		HDADMO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676332366	1075523087	/nfs/dbraw/zinc/52/30/87/1075523087.db2.gz	CFDGAGUROGJETM-BEVDRBHNSA-N	1	1	400.523	1.687	20	0		HDADMO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332366	1075523092	/nfs/dbraw/zinc/52/30/92/1075523092.db2.gz	CFDGAGUROGJETM-BEVDRBHNSA-N	1	1	400.523	1.687	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)NCC(C)(C)CO)cc1NC(=O)C[NH+]1CCCCC1	ZINC000676362384	1075524955	/nfs/dbraw/zinc/52/49/55/1075524955.db2.gz	XUKUNXXBPCJQCU-UHFFFAOYSA-N	1	1	404.511	1.493	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1	ZINC000731827254	1075525199	/nfs/dbraw/zinc/52/51/99/1075525199.db2.gz	VNWRALMRZOEQMX-CYBMUJFWSA-N	1	1	417.959	1.555	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1	ZINC000731827270	1075525361	/nfs/dbraw/zinc/52/53/61/1075525361.db2.gz	VXWWAFQQMGGRFL-BAACNHRGSA-N	1	1	408.462	1.456	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1	ZINC000731846968	1075531027	/nfs/dbraw/zinc/53/10/27/1075531027.db2.gz	DSTFLBNYPPSHQX-SFHVURJKSA-N	1	1	400.523	1.704	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1	ZINC000731846968	1075531028	/nfs/dbraw/zinc/53/10/28/1075531028.db2.gz	DSTFLBNYPPSHQX-SFHVURJKSA-N	1	1	400.523	1.704	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000676357511	1075531373	/nfs/dbraw/zinc/53/13/73/1075531373.db2.gz	FPIPJNMYWSKRFL-IRXDYDNUSA-N	1	1	412.490	1.177	20	0		HDADMO
CC(=O)N[C@@H](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1	ZINC000676388610	1075534741	/nfs/dbraw/zinc/53/47/41/1075534741.db2.gz	PMWWKBQWGWZLIK-ROUUACIJSA-N	1	1	424.339	1.950	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1Cc2ccccc2C(F)(F)C1	ZINC000676376636	1075537272	/nfs/dbraw/zinc/53/72/72/1075537272.db2.gz	ZJAGKIHHHTZXPT-SFHVURJKSA-N	1	1	407.461	1.834	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC[C@H](OCCO)C3)cc2)CC1	ZINC000676376531	1075537378	/nfs/dbraw/zinc/53/73/78/1075537378.db2.gz	RUKIZMPVMLZOJK-IBGZPJMESA-N	1	1	404.511	1.470	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(-c2ccc3c(c2)CCO3)no1	ZINC000676380225	1075538121	/nfs/dbraw/zinc/53/81/21/1075538121.db2.gz	IHCUBVOSEBHOSD-GOSISDBHSA-N	1	1	412.490	1.413	20	0		HDADMO
Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCNS(C)(=O)=O	ZINC000676395641	1075542523	/nfs/dbraw/zinc/54/25/23/1075542523.db2.gz	WCCIKPHWRNEIIA-QGZVFWFLSA-N	1	1	405.524	1.516	20	0		HDADMO
CS(=O)(=O)c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1C(F)(F)F	ZINC000447669181	1075543796	/nfs/dbraw/zinc/54/37/96/1075543796.db2.gz	FJCJKBWXWFBXML-UHFFFAOYSA-N	1	1	416.425	2.348	20	0		HDADMO
C[C@@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676402237	1075544259	/nfs/dbraw/zinc/54/42/59/1075544259.db2.gz	RFNHOPBLYLXIKX-RDTXWAMCSA-N	1	1	414.531	1.922	20	0		HDADMO
C[C@@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676402237	1075544261	/nfs/dbraw/zinc/54/42/61/1075544261.db2.gz	RFNHOPBLYLXIKX-RDTXWAMCSA-N	1	1	414.531	1.922	20	0		HDADMO
CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000731843357	1075547400	/nfs/dbraw/zinc/54/74/00/1075547400.db2.gz	QQAMMROXGKTMOS-CXUHLZMHSA-N	1	1	423.579	1.472	20	0		HDADMO
CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NCCCNc2ccc(C)c[nH+]2)s1	ZINC000569274240	1075547553	/nfs/dbraw/zinc/54/75/53/1075547553.db2.gz	FYUWFWHPEBBBLP-UONOGXRCSA-N	1	1	419.555	2.568	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000731842896	1075548040	/nfs/dbraw/zinc/54/80/40/1075548040.db2.gz	JULWOZBGRFPUOV-SQFNAUOLSA-N	1	1	410.584	1.068	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC1(CCO)CCOCC1	ZINC000676442419	1075550370	/nfs/dbraw/zinc/55/03/70/1075550370.db2.gz	UGJIUQNJULKXCH-UHFFFAOYSA-N	1	1	420.510	1.136	20	0		HDADMO
CC(C)C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[NH+]1CCOCC1	ZINC000026366157	1075550437	/nfs/dbraw/zinc/55/04/37/1075550437.db2.gz	ABNFJEHSDFDSEY-SFHVURJKSA-N	1	1	411.568	1.850	20	0		HDADMO
CC(C)C[C@H](CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[NH+]1CCOCC1	ZINC000026366160	1075550496	/nfs/dbraw/zinc/55/04/96/1075550496.db2.gz	ABNFJEHSDFDSEY-GOSISDBHSA-N	1	1	411.568	1.850	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)CC1	ZINC000676450583	1075557082	/nfs/dbraw/zinc/55/70/82/1075557082.db2.gz	ZUMBBKOZUKZQEL-GOSISDBHSA-N	1	1	413.522	1.308	20	0		HDADMO
CCc1ccc([C@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000804157670	1075562692	/nfs/dbraw/zinc/56/26/92/1075562692.db2.gz	ZDBKRZHWMGBJMB-WOJBJXKFSA-N	1	1	403.523	1.112	20	0		HDADMO
CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1	ZINC000676486604	1075568066	/nfs/dbraw/zinc/56/80/66/1075568066.db2.gz	ZTEOLBZQOHTXSQ-FQEVSTJZSA-N	1	1	408.587	1.863	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)CCO2	ZINC000676496790	1075569056	/nfs/dbraw/zinc/56/90/56/1075569056.db2.gz	YIYBMQJVWZNBIA-QFBILLFUSA-N	1	1	417.506	1.206	20	0		HDADMO
O=C1c2ccccc2C(=O)N1CCCCNC(=S)NCCC[NH+]1CCOCC1	ZINC000731946374	1075572639	/nfs/dbraw/zinc/57/26/39/1075572639.db2.gz	BZCQGETTYHTJRN-UHFFFAOYSA-N	1	1	404.536	1.249	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1nc2ccccc2s1	ZINC000804165624	1075573609	/nfs/dbraw/zinc/57/36/09/1075573609.db2.gz	DRJOPTGINDQIMY-JKSUJKDBSA-N	1	1	415.563	1.712	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C)C1)CCO2	ZINC000676530221	1075582394	/nfs/dbraw/zinc/58/23/94/1075582394.db2.gz	JAJVMHXKVWZTGA-LZQZEXGQSA-N	1	1	401.507	1.968	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)C1=CC[N@@H+](C)CC1	ZINC000442337943	1075583774	/nfs/dbraw/zinc/58/37/74/1075583774.db2.gz	WRMYITJCYTWEQW-GFCCVEGCSA-N	1	1	422.411	1.991	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2ccccc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446852190	1075585273	/nfs/dbraw/zinc/58/52/73/1075585273.db2.gz	MXEQWNQBOKLSIV-HXUWFJFHSA-N	1	1	403.486	2.544	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000444528996	1075586417	/nfs/dbraw/zinc/58/64/17/1075586417.db2.gz	ZXFLMNWKWIOGAG-MRXNPFEDSA-N	1	1	405.449	2.210	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000676556474	1075588392	/nfs/dbraw/zinc/58/83/92/1075588392.db2.gz	RRXPSJBPWKCVHF-OXJNMPFZSA-N	1	1	408.506	1.740	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1	ZINC000732032378	1075591787	/nfs/dbraw/zinc/59/17/87/1075591787.db2.gz	IOFLQGRUDAIWID-MRXNPFEDSA-N	1	1	400.504	1.217	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1	ZINC000732032378	1075591792	/nfs/dbraw/zinc/59/17/92/1075591792.db2.gz	IOFLQGRUDAIWID-MRXNPFEDSA-N	1	1	400.504	1.217	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)C2=O)cc1	ZINC000732035011	1075592239	/nfs/dbraw/zinc/59/22/39/1075592239.db2.gz	JDLYHCWUIVMXFP-KKSFZXQISA-N	1	1	400.479	1.157	20	0		HDADMO
Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)o1	ZINC000676546576	1075593678	/nfs/dbraw/zinc/59/36/78/1075593678.db2.gz	JCLPXAPLHDDZCB-QGZVFWFLSA-N	1	1	415.494	1.485	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000676547526	1075594081	/nfs/dbraw/zinc/59/40/81/1075594081.db2.gz	QQKLTWJQWCQZSR-UHFFFAOYSA-N	1	1	424.530	1.713	20	0		HDADMO
O=C(CNC(=O)OCC(F)(F)F)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000732057308	1075596427	/nfs/dbraw/zinc/59/64/27/1075596427.db2.gz	MMKRGCZOHRQWRN-UHFFFAOYSA-N	1	1	406.380	1.352	20	0		HDADMO
COC1(CNC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCOCC1	ZINC000676569382	1075598728	/nfs/dbraw/zinc/59/87/28/1075598728.db2.gz	BHLGEYRGIJGAFC-UHFFFAOYSA-N	1	1	410.946	1.957	20	0		HDADMO
Cn1cc(-c2ccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3CO)nn2)cn1	ZINC000433677511	1075598736	/nfs/dbraw/zinc/59/87/36/1075598736.db2.gz	AUJMLIFXROAQSX-YLJYHZDGSA-N	1	1	421.505	1.882	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)OCC(F)(F)F)c2)CCO1	ZINC000732062715	1075598977	/nfs/dbraw/zinc/59/89/77/1075598977.db2.gz	WEYOMGLLJHQOFI-ZDUSSCGKSA-N	1	1	403.401	1.812	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)OCC(F)(F)F)c2)CCO1	ZINC000732062715	1075598981	/nfs/dbraw/zinc/59/89/81/1075598981.db2.gz	WEYOMGLLJHQOFI-ZDUSSCGKSA-N	1	1	403.401	1.812	20	0		HDADMO
CCOC(=O)N1CCCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1	ZINC000804176316	1075603660	/nfs/dbraw/zinc/60/36/60/1075603660.db2.gz	KDGYXDLIXYOTMN-QGZVFWFLSA-N	1	1	420.510	1.532	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1	ZINC000732073804	1075605111	/nfs/dbraw/zinc/60/51/11/1075605111.db2.gz	MOUXHTDVGNZOGT-CMDGGOBGSA-N	1	1	421.545	1.731	20	0		HDADMO
C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(-n4[nH]c(=O)nc4C[NH3+])c23)C1	ZINC001168760499	1075610381	/nfs/dbraw/zinc/61/03/81/1075610381.db2.gz	OSISMZVBBJYCHB-LLVKDONJSA-N	1	1	415.523	1.393	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C	ZINC000804180818	1075610824	/nfs/dbraw/zinc/61/08/24/1075610824.db2.gz	VGZUSIAPNZHKLP-SFHVURJKSA-N	1	1	418.538	1.702	20	0		HDADMO
C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C[C@H](C)O1	ZINC000676614226	1075616174	/nfs/dbraw/zinc/61/61/74/1075616174.db2.gz	BAPJJVYOVDQMHN-BETUJISGSA-N	1	1	409.437	1.985	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)C[C@@H](O)C1CC1	ZINC000676632612	1075625154	/nfs/dbraw/zinc/62/51/54/1075625154.db2.gz	NKLJTWZREWJGKN-LJQANCHMSA-N	1	1	409.552	1.811	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)C[C@@H](O)C1CC1	ZINC000676632612	1075625158	/nfs/dbraw/zinc/62/51/58/1075625158.db2.gz	NKLJTWZREWJGKN-LJQANCHMSA-N	1	1	409.552	1.811	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)C2CC2)CC1	ZINC000676632153	1075625280	/nfs/dbraw/zinc/62/52/80/1075625280.db2.gz	GUWYKGDJOVMNNL-IBGZPJMESA-N	1	1	402.539	1.089	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+](C)C[C@H](O)C2CC2)C2CCCC2)c(=O)[nH]c1=O	ZINC000676633034	1075625697	/nfs/dbraw/zinc/62/56/97/1075625697.db2.gz	SIWDMKCCUHXIIK-INIZCTEOSA-N	1	1	421.542	1.310	20	0		HDADMO
CN(C)c1nc(N)nc(COc2cccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)c2)n1	ZINC000485848930	1075633874	/nfs/dbraw/zinc/63/38/74/1075633874.db2.gz	CICOIGUGTMHNAB-OAHLLOKOSA-N	1	1	408.466	1.811	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC3(CO)CCOCC3)cc2)CC1	ZINC000676652950	1075635598	/nfs/dbraw/zinc/63/55/98/1075635598.db2.gz	SKLMIYXJIZATND-UHFFFAOYSA-N	1	1	404.511	1.375	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl	ZINC000732138711	1075646937	/nfs/dbraw/zinc/64/69/37/1075646937.db2.gz	GCYPJYDTQSRZMB-AWEZNQCLSA-N	1	1	417.959	1.869	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br	ZINC000732139343	1075647273	/nfs/dbraw/zinc/64/72/73/1075647273.db2.gz	OGYFEHISCUTMBE-NSHDSACASA-N	1	1	404.330	1.701	20	0		HDADMO
c1nc(N2CCN(C[C@H]3CCCO3)CC2)cc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1	ZINC000676686506	1075648043	/nfs/dbraw/zinc/64/80/43/1075648043.db2.gz	NEOJTLACKVNXKP-WOJBJXKFSA-N	1	1	416.570	1.079	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)CCc2c(C)nc3nc(N)nn3c2C)[C@H](C)C1	ZINC000523755800	1075648996	/nfs/dbraw/zinc/64/89/96/1075648996.db2.gz	KNFLAANMJSEMTQ-RDTXWAMCSA-N	1	1	417.558	1.509	20	0		HDADMO
COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000732149871	1075649519	/nfs/dbraw/zinc/64/95/19/1075649519.db2.gz	SLIGJUCGZHSULF-QLFBSQMISA-N	1	1	404.511	1.274	20	0		HDADMO
C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1	ZINC000676702060	1075652072	/nfs/dbraw/zinc/65/20/72/1075652072.db2.gz	PKWCJUQNEWZAIU-FYYLOGMGSA-N	1	1	413.610	1.604	20	0		HDADMO
O=C([C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C1)N1CCCC1	ZINC000732190595	1075655364	/nfs/dbraw/zinc/65/53/64/1075655364.db2.gz	KUVWBGSXCCBSEU-AUSIDOKSSA-N	1	1	410.518	1.758	20	0		HDADMO
O=C([C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C1)N1CCCC1	ZINC000732190595	1075655365	/nfs/dbraw/zinc/65/53/65/1075655365.db2.gz	KUVWBGSXCCBSEU-AUSIDOKSSA-N	1	1	410.518	1.758	20	0		HDADMO
O=C([C@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C1)N1CCCC1	ZINC000732190598	1075655377	/nfs/dbraw/zinc/65/53/77/1075655377.db2.gz	KUVWBGSXCCBSEU-WMZHIEFXSA-N	1	1	410.518	1.758	20	0		HDADMO
O=C([C@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C1)N1CCCC1	ZINC000732190598	1075655378	/nfs/dbraw/zinc/65/53/78/1075655378.db2.gz	KUVWBGSXCCBSEU-WMZHIEFXSA-N	1	1	410.518	1.758	20	0		HDADMO
COCc1ncc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)c(N)n1	ZINC000508767759	1075661814	/nfs/dbraw/zinc/66/18/14/1075661814.db2.gz	AAUBYFHGHFKCOJ-AWEZNQCLSA-N	1	1	407.515	1.473	20	0		HDADMO
COCc1ncc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c(N)n1	ZINC000508767759	1075661817	/nfs/dbraw/zinc/66/18/17/1075661817.db2.gz	AAUBYFHGHFKCOJ-AWEZNQCLSA-N	1	1	407.515	1.473	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000732181115	1075662915	/nfs/dbraw/zinc/66/29/15/1075662915.db2.gz	YADRJRKIXFRLAC-OAQYLSRUSA-N	1	1	404.511	1.160	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(F)c(F)cc1Br	ZINC000676729352	1075663099	/nfs/dbraw/zinc/66/30/99/1075663099.db2.gz	AMJCHSZNTGCUOT-LBPRGKRZSA-N	1	1	418.282	1.864	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000732208065	1075665800	/nfs/dbraw/zinc/66/58/00/1075665800.db2.gz	SONLLJRCEKIDTA-OAHLLOKOSA-N	1	1	408.499	1.409	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000732208065	1075665803	/nfs/dbraw/zinc/66/58/03/1075665803.db2.gz	SONLLJRCEKIDTA-OAHLLOKOSA-N	1	1	408.499	1.409	20	0		HDADMO
COc1cc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc(OC)c1OC	ZINC000732209860	1075666289	/nfs/dbraw/zinc/66/62/89/1075666289.db2.gz	AZAUFNICHVSEJT-QGZVFWFLSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(CNC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc(OC)c1OC	ZINC000732209860	1075666292	/nfs/dbraw/zinc/66/62/92/1075666292.db2.gz	AZAUFNICHVSEJT-QGZVFWFLSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(OC)cc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1	ZINC000676721970	1075667947	/nfs/dbraw/zinc/66/79/47/1075667947.db2.gz	SNBYXWYTQSKGGS-UHFFFAOYSA-N	1	1	407.492	1.796	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732211147	1075668419	/nfs/dbraw/zinc/66/84/19/1075668419.db2.gz	BGBOCQPJGXUROC-QGZVFWFLSA-N	1	1	409.552	1.793	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000732212235	1075668853	/nfs/dbraw/zinc/66/88/53/1075668853.db2.gz	QGMQMGRAWGHILP-KRWDZBQOSA-N	1	1	402.495	1.041	20	0		HDADMO
COCCOc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1	ZINC000732212943	1075668934	/nfs/dbraw/zinc/66/89/34/1075668934.db2.gz	PODSFBUGJBEQMY-IBGZPJMESA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1	ZINC000732212943	1075668936	/nfs/dbraw/zinc/66/89/36/1075668936.db2.gz	PODSFBUGJBEQMY-IBGZPJMESA-N	1	1	403.523	1.805	20	0		HDADMO
Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CC2	ZINC000676740251	1075672365	/nfs/dbraw/zinc/67/23/65/1075672365.db2.gz	OECQYRUPUXCFES-LJQANCHMSA-N	1	1	409.534	1.951	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1	ZINC000732203971	1075675445	/nfs/dbraw/zinc/67/54/45/1075675445.db2.gz	NCHJGGKGOWUJPK-UHFFFAOYSA-N	1	1	414.510	1.083	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(c2cn[nH]c2)CC1	ZINC000507223789	1075677139	/nfs/dbraw/zinc/67/71/39/1075677139.db2.gz	JZUMYZKEPWXAPM-CYBMUJFWSA-N	1	1	403.508	1.214	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1	ZINC001545675294	1075677915	/nfs/dbraw/zinc/67/79/15/1075677915.db2.gz	VOFGEYGWYVASDK-JENIJYKNSA-N	1	1	411.554	1.709	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001062288836	1075684783	/nfs/dbraw/zinc/68/47/83/1075684783.db2.gz	ZZIDOQDXFNNVCS-KKEPMVJESA-N	1	1	400.523	1.892	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1	ZINC000732233217	1075685633	/nfs/dbraw/zinc/68/56/33/1075685633.db2.gz	YGJBAFOFNJKUBI-RBUKOAKNSA-N	1	1	403.527	1.369	20	0		HDADMO
CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)CC1	ZINC001084991795	1075687622	/nfs/dbraw/zinc/68/76/22/1075687622.db2.gz	GZQNWEANFVMVIT-QXQWVWGKSA-N	1	1	403.567	1.983	20	0		HDADMO
CO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C	ZINC000509435639	1075687715	/nfs/dbraw/zinc/68/77/15/1075687715.db2.gz	DBFPAWNSFCVPPB-QXAKKESOSA-N	1	1	402.539	1.243	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1	ZINC000804215670	1075689620	/nfs/dbraw/zinc/68/96/20/1075689620.db2.gz	AOHXPNFCXWAYLP-BBWFWOEESA-N	1	1	412.575	1.985	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1	ZINC000804215672	1075689840	/nfs/dbraw/zinc/68/98/40/1075689840.db2.gz	AOHXPNFCXWAYLP-GVDBMIGSSA-N	1	1	412.575	1.985	20	0		HDADMO
COc1cc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc(OC)c1OCC(N)=O	ZINC000568447321	1075695734	/nfs/dbraw/zinc/69/57/34/1075695734.db2.gz	OBWZIXDYZNQZQW-AWEZNQCLSA-N	1	1	401.467	1.320	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1	ZINC000732284828	1075697839	/nfs/dbraw/zinc/69/78/39/1075697839.db2.gz	DGEREMUHVCNPJX-UHFFFAOYSA-N	1	1	410.584	1.755	20	0		HDADMO
C[NH+]1CCN(CC(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1	ZINC000732286294	1075698553	/nfs/dbraw/zinc/69/85/53/1075698553.db2.gz	DSXSPDKLQIBHLX-OAHLLOKOSA-N	1	1	413.362	1.819	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1	ZINC000562140828	1075701632	/nfs/dbraw/zinc/70/16/32/1075701632.db2.gz	ZMYPBLBKGPRJKT-QFIPXVFZSA-N	1	1	410.522	2.101	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@@H]3CCN(c4cnn(C)c4)C3=O)cc2)C[C@@H](C)O1	ZINC000732324891	1075703826	/nfs/dbraw/zinc/70/38/26/1075703826.db2.gz	FPGCFTXWOATKRO-JXXFODFXSA-N	1	1	412.490	1.992	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)CCO1	ZINC000444505295	1075703867	/nfs/dbraw/zinc/70/38/67/1075703867.db2.gz	GLEGNORRZHZBDI-CQSZACIVSA-N	1	1	421.448	1.624	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)CCO1	ZINC000444505295	1075703875	/nfs/dbraw/zinc/70/38/75/1075703875.db2.gz	GLEGNORRZHZBDI-CQSZACIVSA-N	1	1	421.448	1.624	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C1CCC(CO)CC1	ZINC000509437208	1075705197	/nfs/dbraw/zinc/70/51/97/1075705197.db2.gz	IOOMAYQCTNAXPU-XEVCZEQESA-N	1	1	416.566	1.323	20	0		HDADMO
COc1cc2[nH+]c(N3CCN(C(=O)c4cccc(O)c4)CC3)nc(N)c2cc1OC	ZINC000462807118	1075705969	/nfs/dbraw/zinc/70/59/69/1075705969.db2.gz	WIFNRWGEDSENOZ-UHFFFAOYSA-N	1	1	409.446	1.897	20	0		HDADMO
C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000554847821	1075709022	/nfs/dbraw/zinc/70/90/22/1075709022.db2.gz	FZZUENPOLFSPQD-BRWVUGGUSA-N	1	1	411.506	1.925	20	0		HDADMO
C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000554847821	1075709028	/nfs/dbraw/zinc/70/90/28/1075709028.db2.gz	FZZUENPOLFSPQD-BRWVUGGUSA-N	1	1	411.506	1.925	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1	ZINC000732340863	1075710590	/nfs/dbraw/zinc/71/05/90/1075710590.db2.gz	NXEMDFRSZZKQCB-OAHLLOKOSA-N	1	1	421.453	1.632	20	0		HDADMO
C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1ccc2n[nH]cc2c1	ZINC000553992165	1075713130	/nfs/dbraw/zinc/71/31/30/1075713130.db2.gz	IHCTYKWNCFWZFA-BLLLJJGKSA-N	1	1	410.482	1.618	20	0		HDADMO
C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1ccc2n[nH]cc2c1	ZINC000553992165	1075713135	/nfs/dbraw/zinc/71/31/35/1075713135.db2.gz	IHCTYKWNCFWZFA-BLLLJJGKSA-N	1	1	410.482	1.618	20	0		HDADMO
CC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439244	1075713546	/nfs/dbraw/zinc/71/35/46/1075713546.db2.gz	DHVTVUHLQKVHMY-AVRDEDQJSA-N	1	1	402.539	1.077	20	0		HDADMO
COCC1(C)CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000509439182	1075714172	/nfs/dbraw/zinc/71/41/72/1075714172.db2.gz	ONKRXVWTBVIFPO-LJQANCHMSA-N	1	1	416.566	1.588	20	0		HDADMO
Cc1ccccc1Cc1nnc(CN2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)o1	ZINC000481773017	1075720081	/nfs/dbraw/zinc/72/00/81/1075720081.db2.gz	DGCNSLKZRZGSIR-QGZVFWFLSA-N	1	1	409.494	1.753	20	0		HDADMO
Cc1ccccc1Cc1nnc(CN2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)o1	ZINC000481773017	1075720085	/nfs/dbraw/zinc/72/00/85/1075720085.db2.gz	DGCNSLKZRZGSIR-QGZVFWFLSA-N	1	1	409.494	1.753	20	0		HDADMO
Cc1cccn2cc(CC(=O)OCC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)nc12	ZINC000732359323	1075723029	/nfs/dbraw/zinc/72/30/29/1075723029.db2.gz	VLJSFXFCUHOJQW-GOSISDBHSA-N	1	1	402.495	1.201	20	0		HDADMO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000507139465	1075722976	/nfs/dbraw/zinc/72/29/76/1075722976.db2.gz	JPQPMOVSDNDMDW-UHFFFAOYSA-N	1	1	410.453	1.935	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(Cc1cccnc1)C1CC1	ZINC000509442392	1075725959	/nfs/dbraw/zinc/72/59/59/1075725959.db2.gz	PHBBKHCHMLXQHF-LJQANCHMSA-N	1	1	421.545	1.900	20	0		HDADMO
CO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1C	ZINC000509442915	1075734372	/nfs/dbraw/zinc/73/43/72/1075734372.db2.gz	VJFOSVILNARILR-WSTZPKSXSA-N	1	1	402.539	1.197	20	0		HDADMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509257789	1075734594	/nfs/dbraw/zinc/73/45/94/1075734594.db2.gz	VOXRWGJKWHHWSP-HZPDHXFCSA-N	1	1	414.597	1.740	20	0		HDADMO
Cn1nc(NC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC(F)F	ZINC000548327892	1075736735	/nfs/dbraw/zinc/73/67/35/1075736735.db2.gz	KKYCEVWLIWZKCH-LBPRGKRZSA-N	1	1	414.482	2.193	20	0		HDADMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509259558	1075745349	/nfs/dbraw/zinc/74/53/49/1075745349.db2.gz	VNCUIFSDIUICEM-HUUCEWRRSA-N	1	1	400.570	1.494	20	0		HDADMO
C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000429477025	1075748021	/nfs/dbraw/zinc/74/80/21/1075748021.db2.gz	QYMAKUZWDZXHSY-LJQANCHMSA-N	1	1	415.582	1.609	20	0		HDADMO
Cn1ncc2c1nc(NC[C@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)nc2N	ZINC000581774746	1075748579	/nfs/dbraw/zinc/74/85/79/1075748579.db2.gz	LYJULFJPHJGQOT-KRWDZBQOSA-N	1	1	407.522	2.286	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000429268506	1075750029	/nfs/dbraw/zinc/75/00/29/1075750029.db2.gz	CEESPEHPCYCVRH-UHFFFAOYSA-N	1	1	411.568	1.834	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1	ZINC000732463239	1075751174	/nfs/dbraw/zinc/75/11/74/1075751174.db2.gz	LGFNFNFXLOSJIC-IEBWSBKVSA-N	1	1	404.511	1.919	20	0		HDADMO
C[C@H](CCNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[N@@H+](C)Cc1ccccc1	ZINC000446731531	1075752017	/nfs/dbraw/zinc/75/20/17/1075752017.db2.gz	JBCMWRRFIIGNNT-CQSZACIVSA-N	1	1	411.428	2.411	20	0		HDADMO
CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CCOC)c1	ZINC000732467256	1075754147	/nfs/dbraw/zinc/75/41/47/1075754147.db2.gz	TVQRKHHPSHRQGD-QGZVFWFLSA-N	1	1	412.556	1.997	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCCNC(=O)c2cccc(F)c2)cn1	ZINC000732480323	1075758137	/nfs/dbraw/zinc/75/81/37/1075758137.db2.gz	HKQMSGJHDHBFRJ-UHFFFAOYSA-N	1	1	424.436	1.590	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1	ZINC000520039124	1075762681	/nfs/dbraw/zinc/76/26/81/1075762681.db2.gz	MUEWGPUMLXOEPW-LBPRGKRZSA-N	1	1	413.551	1.880	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1	ZINC000520039124	1075762686	/nfs/dbraw/zinc/76/26/86/1075762686.db2.gz	MUEWGPUMLXOEPW-LBPRGKRZSA-N	1	1	413.551	1.880	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000462185960	1075764933	/nfs/dbraw/zinc/76/49/33/1075764933.db2.gz	IRTXQVXPTOKTNM-LIRRHRJNSA-N	1	1	407.522	1.893	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1	ZINC000644695665	1075765525	/nfs/dbraw/zinc/76/55/25/1075765525.db2.gz	ZABGVDGWSXUBGF-QGZVFWFLSA-N	1	1	409.494	1.461	20	0		HDADMO
Ic1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc1	ZINC000565088309	1075767608	/nfs/dbraw/zinc/76/76/08/1075767608.db2.gz	XSPAUCYFDYDFLW-UHFFFAOYSA-N	1	1	424.290	2.100	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000472307326	1075768202	/nfs/dbraw/zinc/76/82/02/1075768202.db2.gz	YHXCEAUIVLXYTM-MRXNPFEDSA-N	1	1	401.540	1.474	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C1CC1	ZINC000804222964	1075774936	/nfs/dbraw/zinc/77/49/36/1075774936.db2.gz	FRPKOOATDGKTIY-HOTGVXAUSA-N	1	1	410.559	1.739	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC[N@@H+]1CCO	ZINC000429277702	1075778923	/nfs/dbraw/zinc/77/89/23/1075778923.db2.gz	PCCUGHIWIHRILP-CQSZACIVSA-N	1	1	405.524	1.663	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC[N@H+]1CCO	ZINC000429277702	1075778927	/nfs/dbraw/zinc/77/89/27/1075778927.db2.gz	PCCUGHIWIHRILP-CQSZACIVSA-N	1	1	405.524	1.663	20	0		HDADMO
CN(C(=O)CN1c2ccccc2OCCC1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558958	1075785493	/nfs/dbraw/zinc/78/54/93/1075785493.db2.gz	FLZBWPKEMHPYJV-SFHVURJKSA-N	1	1	400.523	1.429	20	0		HDADMO
CN(C(=O)CN1c2ccccc2OCCC1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558958	1075785499	/nfs/dbraw/zinc/78/54/99/1075785499.db2.gz	FLZBWPKEMHPYJV-SFHVURJKSA-N	1	1	400.523	1.429	20	0		HDADMO
COc1cc2c(cc1OC)CN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC2	ZINC000016341126	1075786041	/nfs/dbraw/zinc/78/60/41/1075786041.db2.gz	IIKJHEVETNIXKA-IBGZPJMESA-N	1	1	405.539	1.535	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558580	1075786007	/nfs/dbraw/zinc/78/60/07/1075786007.db2.gz	BSUKLYAVZOQAFN-LNKKFFRNSA-N	1	1	409.538	1.607	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558580	1075786013	/nfs/dbraw/zinc/78/60/13/1075786013.db2.gz	BSUKLYAVZOQAFN-LNKKFFRNSA-N	1	1	409.538	1.607	20	0		HDADMO
CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732561551	1075788398	/nfs/dbraw/zinc/78/83/98/1075788398.db2.gz	ACMAHFCZHVYYIP-OAQYLSRUSA-N	1	1	413.566	1.561	20	0		HDADMO
CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732561551	1075788402	/nfs/dbraw/zinc/78/84/02/1075788402.db2.gz	ACMAHFCZHVYYIP-OAQYLSRUSA-N	1	1	413.566	1.561	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)CC[C@@H]21	ZINC000484434790	1075790489	/nfs/dbraw/zinc/79/04/89/1075790489.db2.gz	DVKQRFOIXWIMGD-RDJZCZTQSA-N	1	1	416.913	1.861	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)Nc3ccn(CC(F)(F)F)n3)cc2)CC1	ZINC000448298836	1075791242	/nfs/dbraw/zinc/79/12/42/1075791242.db2.gz	VODYQSYYQHTMBK-UHFFFAOYSA-N	1	1	424.427	2.155	20	0		HDADMO
COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1	ZINC000142852406	1075795060	/nfs/dbraw/zinc/79/50/60/1075795060.db2.gz	RLIHLZLJVFVLSP-HNNXBMFYSA-N	1	1	409.439	1.233	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(S(C)(=O)=O)cn2)[C@H](c2cnn(C)c2)C1	ZINC001129302044	1075795929	/nfs/dbraw/zinc/79/59/29/1075795929.db2.gz	RHBWXNQREPJKKZ-IRXDYDNUSA-N	1	1	405.524	1.671	20	0		HDADMO
C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)C2)C1	ZINC000556491057	1075797373	/nfs/dbraw/zinc/79/73/73/1075797373.db2.gz	SZRURCLAZVQWIK-GOSISDBHSA-N	1	1	422.411	1.779	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1C	ZINC000042027951	1075801275	/nfs/dbraw/zinc/80/12/75/1075801275.db2.gz	CPVNTGYTIFQMBQ-LJQANCHMSA-N	1	1	411.568	1.445	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446729332	1075809374	/nfs/dbraw/zinc/80/93/74/1075809374.db2.gz	PEDMSKLRMIBDPH-HNNXBMFYSA-N	1	1	423.439	2.507	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000462802396	1075809705	/nfs/dbraw/zinc/80/97/05/1075809705.db2.gz	MSBCINGLTBZETE-YOEHRIQHSA-N	1	1	422.489	2.019	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1	ZINC000611038263	1075818731	/nfs/dbraw/zinc/81/87/31/1075818731.db2.gz	MZFZBKUMQTTXTJ-OAHLLOKOSA-N	1	1	422.526	1.023	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1	ZINC000611038263	1075818735	/nfs/dbraw/zinc/81/87/35/1075818735.db2.gz	MZFZBKUMQTTXTJ-OAHLLOKOSA-N	1	1	422.526	1.023	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1	ZINC000611065823	1075823406	/nfs/dbraw/zinc/82/34/06/1075823406.db2.gz	HESZLVUMARBVER-ROUUACIJSA-N	1	1	410.559	1.694	20	0		HDADMO
CC(C)CNS(=O)(=O)c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1	ZINC000546053258	1075825432	/nfs/dbraw/zinc/82/54/32/1075825432.db2.gz	JCQSRHCLIQVHKF-UHFFFAOYSA-N	1	1	405.524	1.860	20	0		HDADMO
Cc1[nH]nc(NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)c1C	ZINC000554187525	1075825530	/nfs/dbraw/zinc/82/55/30/1075825530.db2.gz	LORUUDASJUFOEI-UHFFFAOYSA-N	1	1	406.512	1.997	20	0		HDADMO
Cc1[nH]nc(NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)c1C	ZINC000554187525	1075825536	/nfs/dbraw/zinc/82/55/36/1075825536.db2.gz	LORUUDASJUFOEI-UHFFFAOYSA-N	1	1	406.512	1.997	20	0		HDADMO
Cc1[nH+]ccn1CCCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732673330	1075827370	/nfs/dbraw/zinc/82/73/70/1075827370.db2.gz	CLINJXUUGIZGAB-UHFFFAOYSA-N	1	1	411.450	1.442	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1	ZINC000611102631	1075835237	/nfs/dbraw/zinc/83/52/37/1075835237.db2.gz	VYLWMIMRYXWAAW-ZBFHGGJFSA-N	1	1	413.478	1.505	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)C1	ZINC000518053023	1075840964	/nfs/dbraw/zinc/84/09/64/1075840964.db2.gz	LINWSHYDLXNLHT-CQSZACIVSA-N	1	1	420.514	1.977	20	0		HDADMO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000556251273	1075843602	/nfs/dbraw/zinc/84/36/02/1075843602.db2.gz	XSLGEIHTDPCDSD-CYBMUJFWSA-N	1	1	422.327	2.418	20	0		HDADMO
COC(=O)c1c(C)cccc1S(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000611117919	1075845348	/nfs/dbraw/zinc/84/53/48/1075845348.db2.gz	XASGRKWRWIISJX-JWTNVVGKSA-N	1	1	421.563	1.713	20	0		HDADMO
COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000611110082	1075846190	/nfs/dbraw/zinc/84/61/90/1075846190.db2.gz	RCBLVWKICOCDBW-MSOLQXFVSA-N	1	1	403.589	1.538	20	0		HDADMO
COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1	ZINC000611110082	1075846194	/nfs/dbraw/zinc/84/61/94/1075846194.db2.gz	RCBLVWKICOCDBW-MSOLQXFVSA-N	1	1	403.589	1.538	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)c2cncc(I)c2)CC1	ZINC000611134200	1075848890	/nfs/dbraw/zinc/84/88/90/1075848890.db2.gz	QQDVDFSDIIMZEG-UHFFFAOYSA-N	1	1	402.280	1.444	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)c2cncc(I)c2)CC1	ZINC000611134200	1075848894	/nfs/dbraw/zinc/84/88/94/1075848894.db2.gz	QQDVDFSDIIMZEG-UHFFFAOYSA-N	1	1	402.280	1.444	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)c2cncc(I)c2)CC1	ZINC000611134200	1075848898	/nfs/dbraw/zinc/84/88/98/1075848898.db2.gz	QQDVDFSDIIMZEG-UHFFFAOYSA-N	1	1	402.280	1.444	20	0		HDADMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000470615800	1075862196	/nfs/dbraw/zinc/86/21/96/1075862196.db2.gz	ZXJSGKWBROEDQS-HZSPNIEDSA-N	1	1	421.560	1.842	20	0		HDADMO
COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000611166144	1075865247	/nfs/dbraw/zinc/86/52/47/1075865247.db2.gz	QNSLRILHKPMKSN-UHFFFAOYSA-N	1	1	424.567	1.115	20	0		HDADMO
O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)N1CCN2CCOC[C@@H]2C1	ZINC000543608451	1075865801	/nfs/dbraw/zinc/86/58/01/1075865801.db2.gz	HIAJKYTYRFZCPI-FQEVSTJZSA-N	1	1	413.522	1.522	20	0		HDADMO
Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2=O)cc1F	ZINC000732782368	1075866128	/nfs/dbraw/zinc/86/61/28/1075866128.db2.gz	YAQYQFNDXKILDP-IRXDYDNUSA-N	1	1	402.514	1.772	20	0		HDADMO
Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2=O)cc1F	ZINC000732782368	1075866134	/nfs/dbraw/zinc/86/61/34/1075866134.db2.gz	YAQYQFNDXKILDP-IRXDYDNUSA-N	1	1	402.514	1.772	20	0		HDADMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1	ZINC000732781666	1075866993	/nfs/dbraw/zinc/86/69/93/1075866993.db2.gz	RUEYKOLNDMDVID-ZDUSSCGKSA-N	1	1	414.959	1.146	20	0		HDADMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000732781666	1075866999	/nfs/dbraw/zinc/86/69/99/1075866999.db2.gz	RUEYKOLNDMDVID-ZDUSSCGKSA-N	1	1	414.959	1.146	20	0		HDADMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1	ZINC000611181255	1075867863	/nfs/dbraw/zinc/86/78/63/1075867863.db2.gz	XJQCWHDWEKHLST-UXHICEINSA-N	1	1	422.614	1.667	20	0		HDADMO
CC(=O)N1CCC([N@@H+](CCCN2C(=O)NC(C)(C)C2=O)Cc2cncs2)CC1	ZINC000429305498	1075868707	/nfs/dbraw/zinc/86/87/07/1075868707.db2.gz	LYBKFONKWIMLIU-UHFFFAOYSA-N	1	1	407.540	1.677	20	0		HDADMO
COC(=O)c1sc(NC(=O)CC[N@@H+]2CCNC(=O)C[C@H]2C)c(C(=O)OC)c1C	ZINC000611178091	1075870175	/nfs/dbraw/zinc/87/01/75/1075870175.db2.gz	QABNOCGGOBMUHP-SNVBAGLBSA-N	1	1	411.480	1.169	20	0		HDADMO
COC(=O)c1sc(NC(=O)CC[N@H+]2CCNC(=O)C[C@H]2C)c(C(=O)OC)c1C	ZINC000611178091	1075870179	/nfs/dbraw/zinc/87/01/79/1075870179.db2.gz	QABNOCGGOBMUHP-SNVBAGLBSA-N	1	1	411.480	1.169	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1	ZINC000732811920	1075873923	/nfs/dbraw/zinc/87/39/23/1075873923.db2.gz	ISKOAGJAVWLSJV-HXUWFJFHSA-N	1	1	420.598	1.864	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1	ZINC000732811920	1075873929	/nfs/dbraw/zinc/87/39/29/1075873929.db2.gz	ISKOAGJAVWLSJV-HXUWFJFHSA-N	1	1	420.598	1.864	20	0		HDADMO
CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000611209098	1075874205	/nfs/dbraw/zinc/87/42/05/1075874205.db2.gz	ZNVXJGNPMBCAHA-HXUWFJFHSA-N	1	1	405.539	1.539	20	0		HDADMO
CN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732833565	1075881527	/nfs/dbraw/zinc/88/15/27/1075881527.db2.gz	AULVPDFLNAMJCJ-QGZVFWFLSA-N	1	1	412.456	1.669	20	0		HDADMO
COC(=O)c1cccc([C@H](C(=O)OC)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000611244299	1075884649	/nfs/dbraw/zinc/88/46/49/1075884649.db2.gz	QBDHFEOCHDSMMU-QZTJIDSGSA-N	1	1	403.479	1.101	20	0		HDADMO
COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000611244249	1075885363	/nfs/dbraw/zinc/88/53/63/1075885363.db2.gz	NCBNOXYDXLVGRF-BEFAXECRSA-N	1	1	416.522	1.523	20	0		HDADMO
COC(=O)[C@]1(NCc2cc(=O)n3ccccc3n2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265910	1075889063	/nfs/dbraw/zinc/88/90/63/1075889063.db2.gz	PVLZBDQYBDTLGN-QHCPKHFHSA-N	1	1	406.486	1.992	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732884538	1075891248	/nfs/dbraw/zinc/89/12/48/1075891248.db2.gz	KPBREINTCDPHNY-AWEZNQCLSA-N	1	1	410.400	1.880	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1	ZINC000732896154	1075898100	/nfs/dbraw/zinc/89/81/00/1075898100.db2.gz	KYSKBBBDCLNLGP-UHFFFAOYSA-N	1	1	410.503	1.524	20	0		HDADMO
Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000732896844	1075899194	/nfs/dbraw/zinc/89/91/94/1075899194.db2.gz	QNOUSYAWKXPTGB-OAQYLSRUSA-N	1	1	410.518	1.925	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1	ZINC000611321307	1075900152	/nfs/dbraw/zinc/90/01/52/1075900152.db2.gz	LXVXSJIEDXAODI-SFHVURJKSA-N	1	1	403.523	1.802	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611321429	1075900216	/nfs/dbraw/zinc/90/02/16/1075900216.db2.gz	OXHOTVUZFJFFBM-ZIAGYGMSSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611321429	1075900218	/nfs/dbraw/zinc/90/02/18/1075900218.db2.gz	OXHOTVUZFJFFBM-ZIAGYGMSSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1	ZINC000611321973	1075900400	/nfs/dbraw/zinc/90/04/00/1075900400.db2.gz	FRSURRUMIXXVSZ-ZDUSSCGKSA-N	1	1	411.449	1.931	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1	ZINC000611321973	1075900402	/nfs/dbraw/zinc/90/04/02/1075900402.db2.gz	FRSURRUMIXXVSZ-ZDUSSCGKSA-N	1	1	411.449	1.931	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611322316	1075900508	/nfs/dbraw/zinc/90/05/08/1075900508.db2.gz	PPUJFEPFHQILGG-IAGOWNOFSA-N	1	1	403.527	1.425	20	0		HDADMO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN([C@H]4CCC[C@H]4O)CC3)cc2)CC1	ZINC000732871994	1075901835	/nfs/dbraw/zinc/90/18/35/1075901835.db2.gz	QKAWUBZNXZIHRT-FCHUYYIVSA-N	1	1	415.582	1.298	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1	ZINC000611327235	1075907553	/nfs/dbraw/zinc/90/75/53/1075907553.db2.gz	PWEZBEMTIBUSEM-SJORKVTESA-N	1	1	410.559	1.550	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)N1CC[NH+](C)CC1	ZINC000732912348	1075910138	/nfs/dbraw/zinc/91/01/38/1075910138.db2.gz	KNEUKDQTFXGLKW-NSHDSACASA-N	1	1	406.399	1.667	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1C	ZINC000611360081	1075917958	/nfs/dbraw/zinc/91/79/58/1075917958.db2.gz	ZYKWDCIYPGKUQZ-KRWDZBQOSA-N	1	1	412.490	1.779	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cn1C	ZINC000611361788	1075918873	/nfs/dbraw/zinc/91/88/73/1075918873.db2.gz	RGHQHKHOXKLLED-GOSISDBHSA-N	1	1	412.490	1.873	20	0		HDADMO
CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1	ZINC000611384878	1075923078	/nfs/dbraw/zinc/92/30/78/1075923078.db2.gz	OCEKNPYBNOVXNS-INIZCTEOSA-N	1	1	401.467	1.345	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)[C@@H](C)C1	ZINC000611384799	1075923081	/nfs/dbraw/zinc/92/30/81/1075923081.db2.gz	WMESZLPFDUQPFV-YQVWRLOYSA-N	1	1	401.507	1.692	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)[C@@H](C)C1	ZINC000611384799	1075923082	/nfs/dbraw/zinc/92/30/82/1075923082.db2.gz	WMESZLPFDUQPFV-YQVWRLOYSA-N	1	1	401.507	1.692	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)[C@@H](C)C1	ZINC000611396265	1075924685	/nfs/dbraw/zinc/92/46/85/1075924685.db2.gz	POWNYIWJGUWBMH-PKOBYXMFSA-N	1	1	413.522	1.983	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)[C@@H](C)C1	ZINC000611396265	1075924686	/nfs/dbraw/zinc/92/46/86/1075924686.db2.gz	POWNYIWJGUWBMH-PKOBYXMFSA-N	1	1	413.522	1.983	20	0		HDADMO
CCOC(=O)c1sc(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)nc1C	ZINC000611396897	1075924986	/nfs/dbraw/zinc/92/49/86/1075924986.db2.gz	PWGUIVAPCPORMU-LBPRGKRZSA-N	1	1	412.512	1.407	20	0		HDADMO
CCOC(=O)c1sc(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)nc1C	ZINC000611396897	1075924989	/nfs/dbraw/zinc/92/49/89/1075924989.db2.gz	PWGUIVAPCPORMU-LBPRGKRZSA-N	1	1	412.512	1.407	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CCO)CCN2CCOCC2)cc1	ZINC000489765728	1075926749	/nfs/dbraw/zinc/92/67/49/1075926749.db2.gz	ACJISSVDHFVTEJ-HXUWFJFHSA-N	1	1	418.582	1.897	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)[C@@H](C)C1	ZINC000611407657	1075927135	/nfs/dbraw/zinc/92/71/35/1075927135.db2.gz	STOOZZLMUUOUPA-ZDUSSCGKSA-N	1	1	419.478	1.903	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)[C@@H](C)C1	ZINC000611407657	1075927139	/nfs/dbraw/zinc/92/71/39/1075927139.db2.gz	STOOZZLMUUOUPA-ZDUSSCGKSA-N	1	1	419.478	1.903	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000732960309	1075932413	/nfs/dbraw/zinc/93/24/13/1075932413.db2.gz	FPCPUIJHNPQSKA-GVDBMIGSSA-N	1	1	424.567	1.232	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)C3CCS(=O)(=O)CC3)CC2)c1	ZINC000733026098	1075945214	/nfs/dbraw/zinc/94/52/14/1075945214.db2.gz	OBJPJWWWFKLZKE-UHFFFAOYSA-N	1	1	408.520	1.007	20	0		HDADMO
C[C@@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000733028387	1075945934	/nfs/dbraw/zinc/94/59/34/1075945934.db2.gz	UDBNCJNTYXBQDB-QAPCUYQASA-N	1	1	408.520	1.134	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000733029367	1075946610	/nfs/dbraw/zinc/94/66/10/1075946610.db2.gz	DRDYJHXCYCKOMI-KRWDZBQOSA-N	1	1	418.494	1.807	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000733029367	1075946616	/nfs/dbraw/zinc/94/66/16/1075946616.db2.gz	DRDYJHXCYCKOMI-KRWDZBQOSA-N	1	1	418.494	1.807	20	0		HDADMO
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611516209	1075953237	/nfs/dbraw/zinc/95/32/37/1075953237.db2.gz	ZREAMGNJJUAYNE-QGZVFWFLSA-N	1	1	423.579	1.462	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccco1	ZINC000733037589	1075961089	/nfs/dbraw/zinc/96/10/89/1075961089.db2.gz	BCDKUCJAJCICQQ-CYBMUJFWSA-N	1	1	408.471	1.446	20	0		HDADMO
CC(C)OC(=O)N1CCC(NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1	ZINC000733042275	1075963343	/nfs/dbraw/zinc/96/33/43/1075963343.db2.gz	NARSKMWSERRMCE-IBGZPJMESA-N	1	1	409.575	1.807	20	0		HDADMO
C[N@@H+]1CC[C@H](NC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000490963321	1075970211	/nfs/dbraw/zinc/97/02/11/1075970211.db2.gz	HASRCPGLPKYCET-OALUTQOASA-N	1	1	410.946	1.421	20	0		HDADMO
C[N@H+]1CC[C@H](NC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000490963321	1075970214	/nfs/dbraw/zinc/97/02/14/1075970214.db2.gz	HASRCPGLPKYCET-OALUTQOASA-N	1	1	410.946	1.421	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(OC)c(OC)cc2C(N)=O)CC1=O	ZINC000733141410	1075973778	/nfs/dbraw/zinc/97/37/78/1075973778.db2.gz	KCPWKFFQYAWVRU-KBPBESRZSA-N	1	1	418.494	1.074	20	0		HDADMO
Cc1[nH+]ccn1CCNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000733142651	1075974335	/nfs/dbraw/zinc/97/43/35/1075974335.db2.gz	PPHOUWRYGBRAGX-UHFFFAOYSA-N	1	1	405.524	1.740	20	0		HDADMO
C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC001079733294	1075976945	/nfs/dbraw/zinc/97/69/45/1075976945.db2.gz	BYAOKHBVPZIKPX-UYTYNIKBSA-N	1	1	402.539	1.746	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1=O	ZINC000733125002	1075978528	/nfs/dbraw/zinc/97/85/28/1075978528.db2.gz	BOJFYEVLXUCHAX-DZGCQCFKSA-N	1	1	408.449	1.352	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(N3CCOC3=O)c2)CC1=O	ZINC000733131637	1075980250	/nfs/dbraw/zinc/98/02/50/1075980250.db2.gz	FGBZVCDJISFWLO-YJBOKZPZSA-N	1	1	400.479	1.915	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000733154319	1075988511	/nfs/dbraw/zinc/98/85/11/1075988511.db2.gz	BRVXPKQEJVPNEG-KRWDZBQOSA-N	1	1	415.538	1.524	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1	ZINC000733163684	1075996658	/nfs/dbraw/zinc/99/66/58/1075996658.db2.gz	GPIISXIXMZLLDX-UHFFFAOYSA-N	1	1	414.547	1.174	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1	ZINC000733163684	1075996660	/nfs/dbraw/zinc/99/66/60/1075996660.db2.gz	GPIISXIXMZLLDX-UHFFFAOYSA-N	1	1	414.547	1.174	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1CCN(C(=O)c2cccnc2)CC1	ZINC000733164576	1075997293	/nfs/dbraw/zinc/99/72/93/1075997293.db2.gz	XSGMEQZKAXIXGN-UHFFFAOYSA-N	1	1	401.555	1.418	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1CCN(C(=O)c2cccnc2)CC1	ZINC000733164576	1075997298	/nfs/dbraw/zinc/99/72/98/1075997298.db2.gz	XSGMEQZKAXIXGN-UHFFFAOYSA-N	1	1	401.555	1.418	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1	ZINC000733171544	1076001371	/nfs/dbraw/zinc/00/13/71/1076001371.db2.gz	YKJJGNCYKKLIMO-SUMWQHHRSA-N	1	1	422.517	1.981	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000733197892	1076003697	/nfs/dbraw/zinc/00/36/97/1076003697.db2.gz	VAELXBWWGZPFNV-QGZVFWFLSA-N	1	1	418.542	1.457	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000733197892	1076003704	/nfs/dbraw/zinc/00/37/04/1076003704.db2.gz	VAELXBWWGZPFNV-QGZVFWFLSA-N	1	1	418.542	1.457	20	0		HDADMO
COC[C@H]1CCCN(CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1	ZINC000733184911	1076012032	/nfs/dbraw/zinc/01/20/32/1076012032.db2.gz	ZABMRXXMVCVTGD-UGKGYDQZSA-N	1	1	400.523	1.889	20	0		HDADMO
COC(=O)CCN(CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)C(C)C	ZINC000733185378	1076012297	/nfs/dbraw/zinc/01/22/97/1076012297.db2.gz	YWXPRMDFGNVREB-JOCHJYFZSA-N	1	1	416.522	1.804	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H](C)C[N@H+]3CCC[C@H](C)C3)C2)no1	ZINC000514026185	1076016643	/nfs/dbraw/zinc/01/66/43/1076016643.db2.gz	DNIRPIJILXOWSN-LZLYRXPVSA-N	1	1	420.558	1.885	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H](C)C[N@H+]3CCC[C@@H](C)C3)C2)no1	ZINC000514026184	1076016698	/nfs/dbraw/zinc/01/66/98/1076016698.db2.gz	DNIRPIJILXOWSN-JFIYKMOQSA-N	1	1	420.558	1.885	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)C2)no1	ZINC000514029215	1076016988	/nfs/dbraw/zinc/01/69/88/1076016988.db2.gz	OHMJSOPYLIQGKS-MSOLQXFVSA-N	1	1	420.558	1.885	20	0		HDADMO
COCCS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1	ZINC000733228339	1076017050	/nfs/dbraw/zinc/01/70/50/1076017050.db2.gz	UWIVHLAUQIJEDP-UHFFFAOYSA-N	1	1	420.535	1.691	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001081958511	1076019215	/nfs/dbraw/zinc/01/92/15/1076019215.db2.gz	QWDMSUURSQLQQU-JIWOIOHBSA-N	1	1	400.519	1.795	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001082156360	1076023858	/nfs/dbraw/zinc/02/38/58/1076023858.db2.gz	DRZYUKPQELQLOV-LTFPLMDUSA-N	1	1	401.507	1.271	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001082156360	1076023862	/nfs/dbraw/zinc/02/38/62/1076023862.db2.gz	DRZYUKPQELQLOV-LTFPLMDUSA-N	1	1	401.507	1.271	20	0		HDADMO
O=C(N[C@H](Cc1cccnc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1	ZINC000733256104	1076024414	/nfs/dbraw/zinc/02/44/14/1076024414.db2.gz	CKWXXYVHCGPXAG-QHAWAJNXSA-N	1	1	408.502	1.402	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O	ZINC000733272896	1076026353	/nfs/dbraw/zinc/02/63/53/1076026353.db2.gz	JXJRRIMZHNCSPO-MRXNPFEDSA-N	1	1	423.535	1.472	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O	ZINC000733272895	1076026406	/nfs/dbraw/zinc/02/64/06/1076026406.db2.gz	JXJRRIMZHNCSPO-INIZCTEOSA-N	1	1	423.535	1.472	20	0		HDADMO
CO[C@H](CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(F)(F)F	ZINC000733339723	1076046159	/nfs/dbraw/zinc/04/61/59/1076046159.db2.gz	AVOYBHOEWQRXJT-OAHLLOKOSA-N	1	1	402.417	1.451	20	0		HDADMO
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000727126938	1076049546	/nfs/dbraw/zinc/04/95/46/1076049546.db2.gz	QLISCIHBWUVGAC-KRWDZBQOSA-N	1	1	420.558	1.654	20	0		HDADMO
CN(C[C@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C1)C(=O)OC(C)(C)C	ZINC000727136535	1076051213	/nfs/dbraw/zinc/05/12/13/1076051213.db2.gz	XWMYERBTHKTPQM-QGZVFWFLSA-N	1	1	411.543	1.931	20	0		HDADMO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1	ZINC000727136584	1076051380	/nfs/dbraw/zinc/05/13/80/1076051380.db2.gz	YHFQNVFAQNYUGG-QZTJIDSGSA-N	1	1	410.559	1.692	20	0		HDADMO
CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1	ZINC000053140203	1076054602	/nfs/dbraw/zinc/05/46/02/1076054602.db2.gz	TUQIFOMUKOPFGR-FQEVSTJZSA-N	1	1	402.539	1.455	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1nc2ccsc2c(=O)[nH]1	ZINC001082652406	1076061809	/nfs/dbraw/zinc/06/18/09/1076061809.db2.gz	XLUJUEIDOCRWHC-FFOUVBDYSA-N	1	1	400.504	1.757	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O	ZINC000727175594	1076069844	/nfs/dbraw/zinc/06/98/44/1076069844.db2.gz	WDJZIGKVNNELLP-GOEBONIOSA-N	1	1	423.535	1.470	20	0		HDADMO
C[C@@H](NC(=S)NCCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000727287758	1076092596	/nfs/dbraw/zinc/09/25/96/1076092596.db2.gz	PCMCFJZPLZEIMA-OAHLLOKOSA-N	1	1	414.597	1.184	20	0		HDADMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)COC(=O)CN(C)C(=O)C3CC3)CC2)cc1	ZINC000733515838	1076092648	/nfs/dbraw/zinc/09/26/48/1076092648.db2.gz	JVBRFQCJIQKPJK-UHFFFAOYSA-N	1	1	415.534	1.866	20	0		HDADMO
COc1ccc(NC(=S)NNC(=S)NCCC[NH+]2CCOCC2)cc1F	ZINC000727291947	1076093002	/nfs/dbraw/zinc/09/30/02/1076093002.db2.gz	ZFSZRJPHARHSAQ-UHFFFAOYSA-N	1	1	401.533	1.222	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)COc1ccccc1C=O	ZINC000727310546	1076095237	/nfs/dbraw/zinc/09/52/37/1076095237.db2.gz	CWOQAIIITTXKEG-UHFFFAOYSA-N	1	1	411.458	1.913	20	0		HDADMO
COC(=O)CNC(=O)COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000733530398	1076095682	/nfs/dbraw/zinc/09/56/82/1076095682.db2.gz	IYUAEZRLCQSKCU-QGZVFWFLSA-N	1	1	402.369	1.273	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)NC(=O)N[C@@H]1C	ZINC000727385092	1076102613	/nfs/dbraw/zinc/10/26/13/1076102613.db2.gz	XUDBZAOZCSIPMZ-QAPCUYQASA-N	1	1	402.495	1.168	20	0		HDADMO
Cc1cc(C(=O)NC2CC[NH+](CC(=O)N3CCC4(CC3)OCCO4)CC2)c(C)o1	ZINC000727436666	1076120066	/nfs/dbraw/zinc/12/00/66/1076120066.db2.gz	FVQCPRDLNGNBLF-UHFFFAOYSA-N	1	1	405.495	1.456	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc(Cl)nc(N(C)C)c2)C1	ZINC000733574649	1076124714	/nfs/dbraw/zinc/12/47/14/1076124714.db2.gz	LCTZLGSIIYDKJY-HNNXBMFYSA-N	1	1	412.918	1.431	20	0		HDADMO
O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)C(=O)N1CC[NH+](C2CCC2)CC1	ZINC000733669200	1076149712	/nfs/dbraw/zinc/14/97/12/1076149712.db2.gz	MTJKHWPYXSOTBA-UHFFFAOYSA-N	1	1	422.411	1.921	20	0		HDADMO
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000733669911	1076152047	/nfs/dbraw/zinc/15/20/47/1076152047.db2.gz	NAVWLHNHCDHSQH-MRXNPFEDSA-N	1	1	424.567	1.049	20	0		HDADMO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1	ZINC000727607399	1076178080	/nfs/dbraw/zinc/17/80/80/1076178080.db2.gz	LDXXGMSVZMLGBT-UHFFFAOYSA-N	1	1	417.554	1.898	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(SC(F)F)c2)CC1	ZINC000727610374	1076180275	/nfs/dbraw/zinc/18/02/75/1076180275.db2.gz	KYLPWBPDUORIOE-UHFFFAOYSA-N	1	1	400.451	1.266	20	0		HDADMO
COCC[N@@H+](CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)C1CCCC1	ZINC000733793538	1076199832	/nfs/dbraw/zinc/19/98/32/1076199832.db2.gz	HVGSQSLCNCQYSE-OAQYLSRUSA-N	1	1	418.494	1.384	20	0		HDADMO
COC(=O)[C@@H]1CC12CC[NH+](CN1C(=O)N[C@](C)(Cc3ccc(OC)cc3)C1=O)CC2	ZINC000733791042	1076208627	/nfs/dbraw/zinc/20/86/27/1076208627.db2.gz	HXPLYFPQHKZAMB-LAUBAEHRSA-N	1	1	415.490	1.781	20	0		HDADMO
COC(=O)[C@H]1CC12CC[NH+](CN1C(=O)C(=O)N(CCc3cccs3)C1=O)CC2	ZINC000733791731	1076209040	/nfs/dbraw/zinc/20/90/40/1076209040.db2.gz	CRZILPMKYFHXMS-CQSZACIVSA-N	1	1	405.476	1.314	20	0		HDADMO
CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1	ZINC000733795267	1076215343	/nfs/dbraw/zinc/21/53/43/1076215343.db2.gz	WFRNYACZTVPIIL-SFHVURJKSA-N	1	1	418.538	1.899	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1	ZINC000727753664	1076227019	/nfs/dbraw/zinc/22/70/19/1076227019.db2.gz	NMWAMCDJANVUJR-WOJBJXKFSA-N	1	1	416.522	1.657	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1	ZINC000532604129	1076238392	/nfs/dbraw/zinc/23/83/92/1076238392.db2.gz	ZSBGTMDWVLSQRA-QGZVFWFLSA-N	1	1	412.538	1.904	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000533000499	1076240899	/nfs/dbraw/zinc/24/08/99/1076240899.db2.gz	CPWLTFHKJJJJID-LPHOPBHVSA-N	1	1	413.522	1.982	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000533000499	1076240902	/nfs/dbraw/zinc/24/09/02/1076240902.db2.gz	CPWLTFHKJJJJID-LPHOPBHVSA-N	1	1	413.522	1.982	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C2)no1	ZINC000533584716	1076243668	/nfs/dbraw/zinc/24/36/68/1076243668.db2.gz	QRIBOGPEWNBNCB-ROUUACIJSA-N	1	1	419.526	1.225	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000535295291	1076252226	/nfs/dbraw/zinc/25/22/26/1076252226.db2.gz	RMRSGBFAMMQGJO-LJQANCHMSA-N	1	1	402.520	1.971	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000535295291	1076252232	/nfs/dbraw/zinc/25/22/32/1076252232.db2.gz	RMRSGBFAMMQGJO-LJQANCHMSA-N	1	1	402.520	1.971	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)s1	ZINC000535294379	1076252364	/nfs/dbraw/zinc/25/23/64/1076252364.db2.gz	LSIQGZONCDYHLS-MRXNPFEDSA-N	1	1	408.549	1.821	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)s1	ZINC000535294379	1076252366	/nfs/dbraw/zinc/25/23/66/1076252366.db2.gz	LSIQGZONCDYHLS-MRXNPFEDSA-N	1	1	408.549	1.821	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2C(=O)NC(C)C)C1	ZINC000144139046	1076253408	/nfs/dbraw/zinc/25/34/08/1076253408.db2.gz	SYCBOCPDDOMAJF-IAGOWNOFSA-N	1	1	418.538	1.626	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2C(=O)NC(C)C)C1	ZINC000144139046	1076253416	/nfs/dbraw/zinc/25/34/16/1076253416.db2.gz	SYCBOCPDDOMAJF-IAGOWNOFSA-N	1	1	418.538	1.626	20	0		HDADMO
O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000536532031	1076256543	/nfs/dbraw/zinc/25/65/43/1076256543.db2.gz	NAQFTIALLFFVMQ-ZBFHGGJFSA-N	1	1	422.455	1.844	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000144355509	1076257843	/nfs/dbraw/zinc/25/78/43/1076257843.db2.gz	ZNAZIGGHWJNJDN-GFCCVEGCSA-N	1	1	401.916	1.231	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[NH+]1CCCCCC1	ZINC000733922719	1076271369	/nfs/dbraw/zinc/27/13/69/1076271369.db2.gz	QNRXQRXGXPZVNV-INIZCTEOSA-N	1	1	404.536	1.544	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1	ZINC000727860163	1076274705	/nfs/dbraw/zinc/27/47/05/1076274705.db2.gz	UXIRQQRRUAZXSM-HNNXBMFYSA-N	1	1	405.524	1.469	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cnc(-c3ccccn3)s2)C1	ZINC000727886848	1076276196	/nfs/dbraw/zinc/27/61/96/1076276196.db2.gz	SWIGPKNKIDTYMM-HNNXBMFYSA-N	1	1	418.519	1.835	20	0		HDADMO
Cc1ccn2ncc(C(=O)OCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2n1	ZINC000727929238	1076285533	/nfs/dbraw/zinc/28/55/33/1076285533.db2.gz	LNWFLBXOBROGFA-UHFFFAOYSA-N	1	1	415.494	1.346	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(CC(F)(F)C(F)F)CC1	ZINC000734002984	1076289011	/nfs/dbraw/zinc/28/90/11/1076289011.db2.gz	UDIKTLPXYYPCKL-LCYFTJDESA-N	1	1	413.437	1.484	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1	ZINC000727953105	1076296555	/nfs/dbraw/zinc/29/65/55/1076296555.db2.gz	WUJJDADVOAHKDA-UHFFFAOYSA-N	1	1	415.538	1.270	20	0		HDADMO
COc1ncc(C(=O)O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cn1	ZINC000734046018	1076298449	/nfs/dbraw/zinc/29/84/49/1076298449.db2.gz	JVNZGECBCAOELV-HNNXBMFYSA-N	1	1	414.462	1.179	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000727989997	1076298650	/nfs/dbraw/zinc/29/86/50/1076298650.db2.gz	YHOJBFIOJXOIOC-GQMMIMOESA-N	1	1	410.584	1.351	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]21	ZINC001083147765	1076304557	/nfs/dbraw/zinc/30/45/57/1076304557.db2.gz	CVFIVRXNGZRFNH-NVYAHWSDSA-N	1	1	404.482	1.931	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]21	ZINC001083147765	1076304564	/nfs/dbraw/zinc/30/45/64/1076304564.db2.gz	CVFIVRXNGZRFNH-NVYAHWSDSA-N	1	1	404.482	1.931	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]21	ZINC001083151701	1076317280	/nfs/dbraw/zinc/31/72/80/1076317280.db2.gz	OKQPZBGEAONDAQ-OFOKGCAXSA-N	1	1	402.491	1.029	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]21	ZINC001083151701	1076317284	/nfs/dbraw/zinc/31/72/84/1076317284.db2.gz	OKQPZBGEAONDAQ-OFOKGCAXSA-N	1	1	402.491	1.029	20	0		HDADMO
CC(=O)N1CC[NH+](CCOc2ccc(CCNc3cc(Cl)nc(N)n3)cc2)CC1	ZINC000728052244	1076319938	/nfs/dbraw/zinc/31/99/38/1076319938.db2.gz	KALQROKIYVJACI-UHFFFAOYSA-N	1	1	418.929	1.910	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000728052668	1076320141	/nfs/dbraw/zinc/32/01/41/1076320141.db2.gz	ATISQBDHSPFSQH-QGZVFWFLSA-N	1	1	402.495	1.448	20	0		HDADMO
C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)C1	ZINC000728053698	1076320422	/nfs/dbraw/zinc/32/04/22/1076320422.db2.gz	PZUXLUNCFQEZOG-HKUYNNGSSA-N	1	1	407.555	1.568	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000728053561	1076320735	/nfs/dbraw/zinc/32/07/35/1076320735.db2.gz	OWKSKRXHMSMMNB-SFHVURJKSA-N	1	1	407.555	1.759	20	0		HDADMO
C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C[C@H]1CCCO1	ZINC000728054933	1076322315	/nfs/dbraw/zinc/32/23/15/1076322315.db2.gz	FIUXYEZFYAZQTF-VGVSSDJJSA-N	1	1	404.492	1.345	20	0		HDADMO
C[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C[C@H]1CCCO1	ZINC000728054933	1076322320	/nfs/dbraw/zinc/32/23/20/1076322320.db2.gz	FIUXYEZFYAZQTF-VGVSSDJJSA-N	1	1	404.492	1.345	20	0		HDADMO
CC(=O)[C@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)=NN1c1ccccc1	ZINC000728073102	1076333890	/nfs/dbraw/zinc/33/38/90/1076333890.db2.gz	PUTIORJDNRJGLM-VQTJNVASSA-N	1	1	413.522	1.269	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C1	ZINC000728077825	1076334122	/nfs/dbraw/zinc/33/41/22/1076334122.db2.gz	ONWVANCTKQFWDK-CQSZACIVSA-N	1	1	416.453	1.988	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc12	ZINC000728077396	1076334394	/nfs/dbraw/zinc/33/43/94/1076334394.db2.gz	ILFXHVNODBQYTK-OAHLLOKOSA-N	1	1	401.463	1.184	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1	ZINC000728077445	1076334508	/nfs/dbraw/zinc/33/45/08/1076334508.db2.gz	JAKFHKWFJMIILN-DLBZAZTESA-N	1	1	420.941	1.392	20	0		HDADMO
C[N@@H+](CCOc1cccc(CNC(=O)NC[C@H](O)C(F)(F)F)c1)C1CCOCC1	ZINC000728134818	1076339679	/nfs/dbraw/zinc/33/96/79/1076339679.db2.gz	MVGACDNQWPUFSY-KRWDZBQOSA-N	1	1	419.444	1.899	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000728140704	1076341644	/nfs/dbraw/zinc/34/16/44/1076341644.db2.gz	DPFUYBJCLKZWND-JKSUJKDBSA-N	1	1	406.502	1.837	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1	ZINC000024622674	1076345795	/nfs/dbraw/zinc/34/57/95/1076345795.db2.gz	RNLQPBNJVRNDHF-UHFFFAOYSA-N	1	1	415.559	1.779	20	0		HDADMO
CC[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[N@H+]1CCc2ccccc2C1	ZINC000728151761	1076348137	/nfs/dbraw/zinc/34/81/37/1076348137.db2.gz	DTEJOEKANPANOE-XLIONFOSSA-N	1	1	414.531	1.670	20	0		HDADMO
C[C@H](NC(=O)N(CCO)CCN1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000498692327	1076355697	/nfs/dbraw/zinc/35/56/97/1076355697.db2.gz	XQIOCNBHYCYBTP-PZJWPPBQSA-N	1	1	404.555	1.233	20	0		HDADMO
Cn1c2cc(C[N@@H+]3CC[C@@H]4CN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)[C@@H]4C3)ccc2oc1=O	ZINC001084531424	1076368302	/nfs/dbraw/zinc/36/83/02/1076368302.db2.gz	JUIVWFIJCVIOAX-QHBHOWODSA-N	1	1	409.486	1.588	20	0		HDADMO
Cn1c2cc(C[N@H+]3CC[C@@H]4CN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)[C@@H]4C3)ccc2oc1=O	ZINC001084531424	1076368329	/nfs/dbraw/zinc/36/83/29/1076368329.db2.gz	JUIVWFIJCVIOAX-QHBHOWODSA-N	1	1	409.486	1.588	20	0		HDADMO
CN(C(=O)/C=C/c1ccccc1F)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729980705	1076404772	/nfs/dbraw/zinc/40/47/72/1076404772.db2.gz	SLVJYSNESBKBBB-BQYQJAHWSA-N	1	1	402.514	1.536	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)C1	ZINC000729984246	1076407412	/nfs/dbraw/zinc/40/74/12/1076407412.db2.gz	YEDJGBKXZIMTMX-KRWDZBQOSA-N	1	1	422.485	1.932	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1	ZINC000729982868	1076407515	/nfs/dbraw/zinc/40/75/15/1076407515.db2.gz	ILTSQAVNKQXSET-MRXNPFEDSA-N	1	1	424.505	1.681	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1	ZINC000730083445	1076431235	/nfs/dbraw/zinc/43/12/35/1076431235.db2.gz	LSCOPBSSDYILTB-MSOLQXFVSA-N	1	1	413.515	1.184	20	0		HDADMO
Cc1cnn(CC[N@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1	ZINC000730087045	1076441488	/nfs/dbraw/zinc/44/14/88/1076441488.db2.gz	TYILTSSKQCVNJZ-SFHVURJKSA-N	1	1	405.543	1.983	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000730099661	1076452110	/nfs/dbraw/zinc/45/21/10/1076452110.db2.gz	MJXHVPZPQNNJRP-DOTOQJQBSA-N	1	1	414.572	1.318	20	0		HDADMO
CCN(C)c1ccccc1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000730114040	1076461461	/nfs/dbraw/zinc/46/14/61/1076461461.db2.gz	CQUNABHGJSTDAJ-UHFFFAOYSA-N	1	1	411.554	1.944	20	0		HDADMO
O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1	ZINC000730125441	1076465406	/nfs/dbraw/zinc/46/54/06/1076465406.db2.gz	HUFJXEYXFUSHGL-RTBURBONSA-N	1	1	401.511	1.845	20	0		HDADMO
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)n(C)c2)C1	ZINC000730216912	1076479093	/nfs/dbraw/zinc/47/90/93/1076479093.db2.gz	VZHYRHMWRPDODJ-BRWVUGGUSA-N	1	1	424.567	1.039	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730218194	1076480567	/nfs/dbraw/zinc/48/05/67/1076480567.db2.gz	FURZYZRFDVKBCG-RDTXWAMCSA-N	1	1	402.470	1.119	20	0		HDADMO
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000730219207	1076480579	/nfs/dbraw/zinc/48/05/79/1076480579.db2.gz	WKPHYIYBTPSJHC-CABCVRRESA-N	1	1	412.556	1.237	20	0		HDADMO
C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1	ZINC000730258567	1076501723	/nfs/dbraw/zinc/50/17/23/1076501723.db2.gz	IUNIQFVBHLBIAB-AWEZNQCLSA-N	1	1	410.515	1.670	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730261862	1076502612	/nfs/dbraw/zinc/50/26/12/1076502612.db2.gz	HAPBZUFSWAGOGJ-HZPDHXFCSA-N	1	1	404.515	1.113	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730261862	1076502619	/nfs/dbraw/zinc/50/26/19/1076502619.db2.gz	HAPBZUFSWAGOGJ-HZPDHXFCSA-N	1	1	404.515	1.113	20	0		HDADMO
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(CCO)CC2)C1=O	ZINC000730261325	1076503288	/nfs/dbraw/zinc/50/32/88/1076503288.db2.gz	YHCHJXYXBASTFF-NRFANRHFSA-N	1	1	402.495	1.055	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1	ZINC000730262740	1076503799	/nfs/dbraw/zinc/50/37/99/1076503799.db2.gz	IDGCEBFBNAQUNQ-OAHLLOKOSA-N	1	1	413.540	1.915	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730262569	1076504224	/nfs/dbraw/zinc/50/42/24/1076504224.db2.gz	WHPWCFPDFYAAOM-HZPDHXFCSA-N	1	1	420.510	1.552	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730262569	1076504228	/nfs/dbraw/zinc/50/42/28/1076504228.db2.gz	WHPWCFPDFYAAOM-HZPDHXFCSA-N	1	1	420.510	1.552	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000730313609	1076528926	/nfs/dbraw/zinc/52/89/26/1076528926.db2.gz	XNJHYPJZMADPAS-GOSISDBHSA-N	1	1	419.547	1.494	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000730381827	1076553185	/nfs/dbraw/zinc/55/31/85/1076553185.db2.gz	AAVGWNMXDZWBBS-IAGOWNOFSA-N	1	1	422.551	1.846	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+](C[C@@H](C)O)C(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000730420290	1076575285	/nfs/dbraw/zinc/57/52/85/1076575285.db2.gz	WWPUAMNDNNWQHH-AUUYWEPGSA-N	1	1	405.495	1.958	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+](C[C@@H](C)O)C(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000730420290	1076575292	/nfs/dbraw/zinc/57/52/92/1076575292.db2.gz	WWPUAMNDNNWQHH-AUUYWEPGSA-N	1	1	405.495	1.958	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](C[C@@H](C)O)C(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000730420290	1076575296	/nfs/dbraw/zinc/57/52/96/1076575296.db2.gz	WWPUAMNDNNWQHH-AUUYWEPGSA-N	1	1	405.495	1.958	20	0		HDADMO
CC(C)[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C[C@@H](C)O	ZINC000730420512	1076575615	/nfs/dbraw/zinc/57/56/15/1076575615.db2.gz	IJGMOJXKXQXMLD-MRXNPFEDSA-N	1	1	424.567	1.967	20	0		HDADMO
NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000730571455	1076606389	/nfs/dbraw/zinc/60/63/89/1076606389.db2.gz	RTRSGDKWLIYMLZ-WCQYABFASA-N	1	1	412.339	1.238	20	0		HDADMO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC1	ZINC000730593898	1076610611	/nfs/dbraw/zinc/61/06/11/1076610611.db2.gz	VDVVLOJMWCCZQA-HNNXBMFYSA-N	1	1	401.536	1.866	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC1	ZINC000730593898	1076610619	/nfs/dbraw/zinc/61/06/19/1076610619.db2.gz	VDVVLOJMWCCZQA-HNNXBMFYSA-N	1	1	401.536	1.866	20	0		HDADMO
Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2=O)c1	ZINC000730774130	1076650313	/nfs/dbraw/zinc/65/03/13/1076650313.db2.gz	VBAGBIMTXILYSV-FGTMMUONSA-N	1	1	400.479	1.179	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1	ZINC000730788230	1076658541	/nfs/dbraw/zinc/65/85/41/1076658541.db2.gz	XZVQUFWRFSFKMH-DMPWYTOCSA-N	1	1	416.522	1.841	20	0		HDADMO
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000730921244	1076694346	/nfs/dbraw/zinc/69/43/46/1076694346.db2.gz	QTUDIXREIMWXJB-CYBMUJFWSA-N	1	1	415.462	1.708	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1	ZINC000730935319	1076695961	/nfs/dbraw/zinc/69/59/61/1076695961.db2.gz	CJQCMGNCHFTRRK-ZBFHGGJFSA-N	1	1	421.519	1.082	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=S)NCCc3ccccn3)c2)C1	ZINC000730949643	1076700098	/nfs/dbraw/zinc/70/00/98/1076700098.db2.gz	CZKLCFWWTFHCKU-IBGZPJMESA-N	1	1	411.575	1.986	20	0		HDADMO
COC(=O)N[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)C	ZINC000730974635	1076702435	/nfs/dbraw/zinc/70/24/35/1076702435.db2.gz	OBWBEVKDUGXVFB-MSOLQXFVSA-N	1	1	404.511	1.381	20	0		HDADMO
CN(C(=O)c1ccco1)c1ccccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000731004712	1076708485	/nfs/dbraw/zinc/70/84/85/1076708485.db2.gz	DFTDHQJUSTYTCE-MRXNPFEDSA-N	1	1	412.490	1.873	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C	ZINC000731007186	1076709322	/nfs/dbraw/zinc/70/93/22/1076709322.db2.gz	IQHOVVUHNKIEFO-HNMKQIAWSA-N	1	1	400.483	1.215	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C	ZINC000731007188	1076709327	/nfs/dbraw/zinc/70/93/27/1076709327.db2.gz	IQHOVVUHNKIEFO-NFBGKYEXSA-N	1	1	400.483	1.215	20	0		HDADMO
CSCC[C@H]1NC(=S)N(Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1=O	ZINC000731041753	1076716724	/nfs/dbraw/zinc/71/67/24/1076716724.db2.gz	UKIHMYVZABWZNC-DLBZAZTESA-N	1	1	420.604	1.722	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000731054793	1076719485	/nfs/dbraw/zinc/71/94/85/1076719485.db2.gz	OBFSYCGCUFUNBT-AWEZNQCLSA-N	1	1	406.533	1.512	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cccc(N3CCOC3=O)c2)CC1	ZINC000731120333	1076725934	/nfs/dbraw/zinc/72/59/34/1076725934.db2.gz	VNAHWLLOHCSDLL-FQEVSTJZSA-N	1	1	415.538	1.955	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(Cn3nc(C)c4c(C)onc4c3=O)CC2)CC1	ZINC000731205670	1076754584	/nfs/dbraw/zinc/75/45/84/1076754584.db2.gz	GZESSIPGADZVRK-UHFFFAOYSA-N	1	1	416.526	1.225	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCN3CC[NH2+]C[C@H]3C2)cc1	ZINC001164404456	718837398	/nfs/dbraw/zinc/83/73/98/718837398.db2.gz	MWIXXVAORZCXMA-KRWDZBQOSA-N	1	1	417.535	1.375	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[C@@H](C1)[C@H](C(=O)OCC)[NH2+]2	ZINC001164450528	719003607	/nfs/dbraw/zinc/00/36/07/719003607.db2.gz	XVSODPXTZGOYPE-HOSYDEDBSA-N	1	1	418.828	1.581	20	0		HDADMO
Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1	ZINC001164668937	719375285	/nfs/dbraw/zinc/37/52/85/719375285.db2.gz	OWBFOXIBDGFGLF-ZWKOTPCHSA-N	1	1	413.503	1.496	20	0		HDADMO
Cc1cc2c(ncnc2N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1S(=O)(=O)c1ccccc1	ZINC001164669559	719379882	/nfs/dbraw/zinc/37/98/82/719379882.db2.gz	RCEIEELSYURJPU-MSOLQXFVSA-N	1	1	413.503	1.496	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)CC2	ZINC001164691117	719756446	/nfs/dbraw/zinc/75/64/46/719756446.db2.gz	LWSLUKLAOBPJFT-UHFFFAOYSA-N	1	1	403.861	1.864	20	0		HDADMO
COC(=O)c1cc2c[nH]c(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)cc-2n1	ZINC001164707652	719864010	/nfs/dbraw/zinc/86/40/10/719864010.db2.gz	UXGGHBMIIRGIOB-QVKFZJNVSA-N	1	1	416.478	1.582	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(N)=O)cc2ccccc21	ZINC001164707849	719871197	/nfs/dbraw/zinc/87/11/97/719871197.db2.gz	WCIMZZPZJGGXOM-OPAMFIHVSA-N	1	1	412.490	1.566	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccnc(N3CCN(C)CC3)n1)C2	ZINC001164817143	720185972	/nfs/dbraw/zinc/18/59/72/720185972.db2.gz	OGEBOMZIMLDDPH-KNQAVFIVSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)C2	ZINC001164816814	720187230	/nfs/dbraw/zinc/18/72/30/720187230.db2.gz	MUXJJFSKTVSDHW-SVMVAKDDSA-N	1	1	414.554	1.115	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3nc[nH]c31)CCC2	ZINC001164815246	720210405	/nfs/dbraw/zinc/21/04/05/720210405.db2.gz	XTNDUFRCLHBMMY-UHFFFAOYSA-N	1	1	402.890	1.814	20	0		HDADMO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3[nH]cnc31)CCC2	ZINC001164815246	720210413	/nfs/dbraw/zinc/21/04/13/720210413.db2.gz	XTNDUFRCLHBMMY-UHFFFAOYSA-N	1	1	402.890	1.814	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3[nH]cnc31)CCC2	ZINC001164815246	720210427	/nfs/dbraw/zinc/21/04/27/720210427.db2.gz	XTNDUFRCLHBMMY-UHFFFAOYSA-N	1	1	402.890	1.814	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)c(F)cc1C(N)=O)CCC2	ZINC001164814758	720216209	/nfs/dbraw/zinc/21/62/09/720216209.db2.gz	YJQNBNAGHOTIGI-UHFFFAOYSA-N	1	1	422.892	1.780	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1[C@H](C)CC(=O)N3)CCC2	ZINC001164813418	720224310	/nfs/dbraw/zinc/22/43/10/720224310.db2.gz	LTNRAHXSEJDMBB-CQSZACIVSA-N	1	1	411.510	1.730	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1	ZINC001164720282	720226663	/nfs/dbraw/zinc/22/66/63/720226663.db2.gz	YAJQTTJKIFRCDJ-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1	ZINC001164720282	720226676	/nfs/dbraw/zinc/22/66/76/720226676.db2.gz	YAJQTTJKIFRCDJ-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
Cc1cc2c(c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)n1)C(=O)NC2=O	ZINC001164812327	720234126	/nfs/dbraw/zinc/23/41/26/720234126.db2.gz	FOGHJRRBKGYCFB-UHFFFAOYSA-N	1	1	410.478	1.081	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(-n3ccccc3=O)n1)CCC2	ZINC001164812568	720237847	/nfs/dbraw/zinc/23/78/47/720237847.db2.gz	GVYGIYHUYBQWSD-UHFFFAOYSA-N	1	1	421.505	1.435	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1	ZINC001164717535	720241845	/nfs/dbraw/zinc/24/18/45/720241845.db2.gz	AMNFJJSHIJIFBX-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1	ZINC001164717535	720241854	/nfs/dbraw/zinc/24/18/54/720241854.db2.gz	AMNFJJSHIJIFBX-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(Cl)c(C(=O)OC)n3)C2)C1	ZINC001164718193	720246873	/nfs/dbraw/zinc/24/68/73/720246873.db2.gz	CTXQQOCUZNJCGV-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(Cl)c(C(=O)OC)n3)C2)C1	ZINC001164718193	720246888	/nfs/dbraw/zinc/24/68/88/720246888.db2.gz	CTXQQOCUZNJCGV-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1	ZINC001164720450	720260803	/nfs/dbraw/zinc/26/08/03/720260803.db2.gz	WDMATBYSFUGWLD-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1	ZINC001164720450	720260808	/nfs/dbraw/zinc/26/08/08/720260808.db2.gz	WDMATBYSFUGWLD-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CCOC(=O)/C=C\c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1	ZINC001164720659	720268056	/nfs/dbraw/zinc/26/80/56/720268056.db2.gz	BVVLGGLIISTZAV-QGHLFXPHSA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)/C=C\c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1	ZINC001164720659	720268063	/nfs/dbraw/zinc/26/80/63/720268063.db2.gz	BVVLGGLIISTZAV-QGHLFXPHSA-N	1	1	416.522	1.323	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3/C=C\C(=O)OC)C2)C1	ZINC001164721812	720273366	/nfs/dbraw/zinc/27/33/66/720273366.db2.gz	LXKZVPGKZQKUTH-LXHZQTKUSA-N	1	1	416.522	1.241	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3/C=C\C(=O)OC)C2)C1	ZINC001164721812	720273379	/nfs/dbraw/zinc/27/33/79/720273379.db2.gz	LXKZVPGKZQKUTH-LXHZQTKUSA-N	1	1	416.522	1.241	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(C)(C)C)nc4[nH]ccc43)C2)C1	ZINC001164720980	720275168	/nfs/dbraw/zinc/27/51/68/720275168.db2.gz	GPQHSAUEJOVNOJ-JOCHJYFZSA-N	1	1	414.554	1.920	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(C)(C)C)nc4[nH]ccc43)C2)C1	ZINC001164720980	720275174	/nfs/dbraw/zinc/27/51/74/720275174.db2.gz	GPQHSAUEJOVNOJ-JOCHJYFZSA-N	1	1	414.554	1.920	20	0		HDADMO
Cc1cc2c(nc[nH+]c2N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)[nH]1	ZINC001164822702	720443769	/nfs/dbraw/zinc/44/37/69/720443769.db2.gz	GQTNLWYDQHQALK-MRXNPFEDSA-N	1	1	411.510	1.452	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164833729	720521031	/nfs/dbraw/zinc/52/10/31/720521031.db2.gz	DPWPHRHBGPEDCN-IJEWVQPXSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4nc[nH]c4c(N(C)C)n3)CC[C@@H]21	ZINC001164835444	720560911	/nfs/dbraw/zinc/56/09/11/720560911.db2.gz	HJMRCEBCMMVVQP-IKGGRYGDSA-N	1	1	409.542	1.993	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164839835	720632436	/nfs/dbraw/zinc/63/24/36/720632436.db2.gz	OWCYWOKIRQFJHN-CEXWTWQISA-N	1	1	407.526	1.940	20	0		HDADMO
COC(=O)c1ccc2cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2c1	ZINC001164744977	720636219	/nfs/dbraw/zinc/63/62/19/720636219.db2.gz	SUKWNPRGQMBZFZ-IRXDYDNUSA-N	1	1	406.446	1.548	20	0		HDADMO
CCOC(=O)c1cc(Cl)nnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164745711	720654750	/nfs/dbraw/zinc/65/47/50/720654750.db2.gz	VQNJZOGCPJGLRC-STQMWFEESA-N	1	1	404.858	1.439	20	0		HDADMO
CCOC(=O)c1cc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2[nH]1	ZINC001164737578	720676786	/nfs/dbraw/zinc/67/67/86/720676786.db2.gz	GJSIPIMGDBNSNK-CVEARBPZSA-N	1	1	408.462	1.872	20	0		HDADMO
COc1cc2ncc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1OC	ZINC001164736965	720688438	/nfs/dbraw/zinc/68/84/38/720688438.db2.gz	COMOHMKEFGERSJ-LSDHHAIUSA-N	1	1	408.462	1.779	20	0		HDADMO
COC(=O)c1cc2c(OC)[nH]c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc-2n1	ZINC001164742658	720690015	/nfs/dbraw/zinc/69/00/15/720690015.db2.gz	WGUCZAYGHJJQKY-KBPBESRZSA-N	1	1	424.461	1.490	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739391	720702401	/nfs/dbraw/zinc/70/24/01/720702401.db2.gz	NOWQEMHWBGFGKL-KBPBESRZSA-N	1	1	418.885	1.368	20	0		HDADMO
COc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c(OC)c1	ZINC001164738481	720709773	/nfs/dbraw/zinc/70/97/73/720709773.db2.gz	JYQPUCBVBUNJOK-ZBFHGGJFSA-N	1	1	408.462	1.779	20	0		HDADMO
CSc1nc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2s1	ZINC001164737212	720732629	/nfs/dbraw/zinc/73/26/29/720732629.db2.gz	AXIASWDSPMUHGM-RYUDHWBXSA-N	1	1	401.521	1.940	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164738914	720742891	/nfs/dbraw/zinc/74/28/91/720742891.db2.gz	GZCWQWRRJJCSPE-LSDHHAIUSA-N	1	1	423.477	1.277	20	0		HDADMO
C[C@H]1CCCN1C(=O)c1nn(-c2cccc(N3CCN(C)CC3)n2)c2c1C[NH2+]CC2	ZINC001164844622	720805680	/nfs/dbraw/zinc/80/56/80/720805680.db2.gz	CGAZRNKTQQSVDU-INIZCTEOSA-N	1	1	409.538	1.289	20	0		HDADMO
CCOC(=O)c1cncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164747835	720808729	/nfs/dbraw/zinc/80/87/29/720808729.db2.gz	POVQQTRFGFTSCU-YQVWRLOYSA-N	1	1	411.510	1.624	20	0		HDADMO
O=C1COc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2N1	ZINC001164737721	720830902	/nfs/dbraw/zinc/83/09/02/720830902.db2.gz	CGTJOVAJENAXNO-YESZJQIVSA-N	1	1	409.494	1.383	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164741443	720832146	/nfs/dbraw/zinc/83/21/46/720832146.db2.gz	FHGCZOOYEOITMM-SESVDKBCSA-N	1	1	421.549	1.945	20	0		HDADMO
CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c12	ZINC001164851367	720842991	/nfs/dbraw/zinc/84/29/91/720842991.db2.gz	GUOQMAJBVWJJFJ-ZBFHGGJFSA-N	1	1	403.483	1.308	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)c12	ZINC001164851367	720842994	/nfs/dbraw/zinc/84/29/94/720842994.db2.gz	GUOQMAJBVWJJFJ-ZBFHGGJFSA-N	1	1	403.483	1.308	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c12	ZINC001164851367	720842995	/nfs/dbraw/zinc/84/29/95/720842995.db2.gz	GUOQMAJBVWJJFJ-ZBFHGGJFSA-N	1	1	403.483	1.308	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C(=O)NC2=O	ZINC001164751060	720845158	/nfs/dbraw/zinc/84/51/58/720845158.db2.gz	XZJIDYZLUDJLKC-XYJFISCASA-N	1	1	421.505	1.245	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cc4nc(C(=O)OC)cc-4c(OC)[nH]3)CC[C@@H]2C1	ZINC001164858996	720852749	/nfs/dbraw/zinc/85/27/49/720852749.db2.gz	TXKIFSZZSSLRAJ-KDOFPFPSSA-N	1	1	418.494	1.532	20	0		HDADMO
COCc1nc(OC)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164746857	720858879	/nfs/dbraw/zinc/85/88/79/720858879.db2.gz	GUMYCPMKSJAJQA-OKZBNKHCSA-N	1	1	413.526	1.603	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c(OC)cc(OC)cc43)CC[C@@H]2C1	ZINC001164864423	720890216	/nfs/dbraw/zinc/89/02/16/720890216.db2.gz	VSKYOAIMXLTFBG-BEFAXECRSA-N	1	1	402.495	1.821	20	0		HDADMO
COc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(S(C)(=O)=O)n1	ZINC001164859288	720965601	/nfs/dbraw/zinc/96/56/01/720965601.db2.gz	MEMMJWXHBPSIKH-ZDUSSCGKSA-N	1	1	408.528	1.507	20	0		HDADMO
CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21	ZINC001164872216	721131157	/nfs/dbraw/zinc/13/11/57/721131157.db2.gz	GYEFNIKBJQAPHU-CVEARBPZSA-N	1	1	416.913	1.833	20	0		HDADMO
c1cncc(CO[C@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@H+]3C2)c1	ZINC001164880984	721170236	/nfs/dbraw/zinc/17/02/36/721170236.db2.gz	YOQQMWAOYIXYFW-OALUTQOASA-N	1	1	412.563	1.905	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1	ZINC001164769447	721195905	/nfs/dbraw/zinc/19/59/05/721195905.db2.gz	MMIWJAFYROAKEQ-IAGOWNOFSA-N	1	1	404.540	1.024	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1	ZINC001164771511	721198225	/nfs/dbraw/zinc/19/82/25/721198225.db2.gz	QTEIFEGWGVKETG-IAGOWNOFSA-N	1	1	404.540	1.072	20	0		HDADMO
COC(=O)CSc1cncc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164770912	721215386	/nfs/dbraw/zinc/21/53/86/721215386.db2.gz	PFICXRYMLMTXPD-JKSUJKDBSA-N	1	1	402.524	1.434	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4S(N)(=O)=O)C[C@@H]3C2)cn1	ZINC001164765940	721224862	/nfs/dbraw/zinc/22/48/62/721224862.db2.gz	IRJWZDMYGYTINY-KGLIPLIRSA-N	1	1	410.931	1.074	20	0		HDADMO
CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164869378	721265330	/nfs/dbraw/zinc/26/53/30/721265330.db2.gz	MPPAUJYHTLBGOS-UHFFFAOYSA-N	1	1	422.501	1.404	20	0		HDADMO
CCOC(=O)Cc1cccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164868555	721265374	/nfs/dbraw/zinc/26/53/74/721265374.db2.gz	BUZCJRKAIXLYGH-UHFFFAOYSA-N	1	1	418.538	1.194	20	0		HDADMO
CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164869327	721274274	/nfs/dbraw/zinc/27/42/74/721274274.db2.gz	KGXVACKHNZYQIM-UHFFFAOYSA-N	1	1	418.538	1.574	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(N4CCCCC4)n3)CC2)C1	ZINC001164872938	721279007	/nfs/dbraw/zinc/27/90/07/721279007.db2.gz	IQJUMQLCUOSNLI-UHFFFAOYSA-N	1	1	416.570	1.474	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccnc(N4CCCCC4)n3)CC2)C1	ZINC001164875333	721283777	/nfs/dbraw/zinc/28/37/77/721283777.db2.gz	VJSMIJHBZHADLO-UHFFFAOYSA-N	1	1	416.570	1.474	20	0		HDADMO
Cc1nc(-c2ccncc2)cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1	ZINC001164877859	721288219	/nfs/dbraw/zinc/28/82/19/721288219.db2.gz	PICCGXDWROJZFV-UHFFFAOYSA-N	1	1	424.549	1.854	20	0		HDADMO
COC(=O)c1cncnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164779476	721351687	/nfs/dbraw/zinc/35/16/87/721351687.db2.gz	UECONOZWYNRGEI-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cncnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164779476	721351691	/nfs/dbraw/zinc/35/16/91/721351691.db2.gz	UECONOZWYNRGEI-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc(N(C)C)n3)C2)C1	ZINC001164781425	721356786	/nfs/dbraw/zinc/35/67/86/721356786.db2.gz	JDEOBOWLXHNVCG-OAQYLSRUSA-N	1	1	415.542	1.970	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc(N(C)C)n3)C2)C1	ZINC001164781425	721356789	/nfs/dbraw/zinc/35/67/89/721356789.db2.gz	JDEOBOWLXHNVCG-OAQYLSRUSA-N	1	1	415.542	1.970	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(N)=O)cc(Cl)n4)C3)O2)CC1	ZINC001164890997	721385353	/nfs/dbraw/zinc/38/53/53/721385353.db2.gz	PZDMPEDUPBXBMJ-JXFKEZNVSA-N	1	1	407.946	1.599	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cnc(F)cc54)C3)O2)CC1	ZINC001164890555	721397565	/nfs/dbraw/zinc/39/75/65/721397565.db2.gz	OEYXLGGLJZIBEA-KKSFZXQISA-N	1	1	400.502	1.929	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1N	ZINC001164889845	721398956	/nfs/dbraw/zinc/39/89/56/721398956.db2.gz	MPDBRSRTZMGERB-IIBYNOLFSA-N	1	1	403.527	1.216	20	0		HDADMO
CN(C)C(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164892944	721402853	/nfs/dbraw/zinc/40/28/53/721402853.db2.gz	ZGYOGZBVTQXBQU-DENIHFKCSA-N	1	1	401.555	1.549	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)C3)O2)CC1	ZINC001164891350	721415527	/nfs/dbraw/zinc/41/55/27/721415527.db2.gz	VKJCIUPGEGFONA-VFNWGFHPSA-N	1	1	419.957	1.995	20	0		HDADMO
CN(C)c1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2nc[nH]c21	ZINC001164886572	721419993	/nfs/dbraw/zinc/41/99/93/721419993.db2.gz	JZABIBDIQITRKY-IIBYNOLFSA-N	1	1	414.558	1.184	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c4CNC5=O)C3)O2)CC1	ZINC001164888283	721421029	/nfs/dbraw/zinc/42/10/29/721421029.db2.gz	NYVUEFWNPZCIRZ-BTYIYWSLSA-N	1	1	419.957	1.744	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)C3)O2)CC1	ZINC001164890480	721422089	/nfs/dbraw/zinc/42/20/89/721422089.db2.gz	STWLCSJRFJIMGY-AUUYWEPGSA-N	1	1	405.934	1.772	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@@H]2CCCO[C@@H]21	ZINC001164808422	721546237	/nfs/dbraw/zinc/54/62/37/721546237.db2.gz	SBQVLTPKIMMIEP-INMHGKMJSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@@H]2CCCO[C@@H]21	ZINC001164808422	721546240	/nfs/dbraw/zinc/54/62/40/721546240.db2.gz	SBQVLTPKIMMIEP-INMHGKMJSA-N	1	1	402.886	1.492	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1	ZINC001164906899	721552293	/nfs/dbraw/zinc/55/22/93/721552293.db2.gz	LJQBAOHGRASTBG-NVXWUHKLSA-N	1	1	406.483	1.471	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1	ZINC001164906907	721552308	/nfs/dbraw/zinc/55/23/08/721552308.db2.gz	LJQBAOHGRASTBG-WBVHZDCISA-N	1	1	406.483	1.471	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1	ZINC001164903133	721552686	/nfs/dbraw/zinc/55/26/86/721552686.db2.gz	AVTNRZFURPHTEC-FUHWJXTLSA-N	1	1	420.510	1.813	20	0		HDADMO
CCOC(=O)Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1	ZINC001164805845	721561346	/nfs/dbraw/zinc/56/13/46/721561346.db2.gz	PCYWNTZFGQCFHR-DYXWJJEUSA-N	1	1	411.506	1.845	20	0		HDADMO
CCOC(=O)Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1	ZINC001164805845	721561349	/nfs/dbraw/zinc/56/13/49/721561349.db2.gz	PCYWNTZFGQCFHR-DYXWJJEUSA-N	1	1	411.506	1.845	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@@H]2CCCO[C@H]12	ZINC001164809557	721581582	/nfs/dbraw/zinc/58/15/82/721581582.db2.gz	TWLZNDCYRCKOJM-KNKQGSTJSA-N	1	1	418.501	1.891	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@@H]2CCCO[C@H]12	ZINC001164809557	721581584	/nfs/dbraw/zinc/58/15/84/721581584.db2.gz	TWLZNDCYRCKOJM-KNKQGSTJSA-N	1	1	418.501	1.891	20	0		HDADMO
NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1	ZINC001164906265	721699559	/nfs/dbraw/zinc/69/95/59/721699559.db2.gz	MSEBCAVFAAVMKM-GOSISDBHSA-N	1	1	423.489	1.862	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(S(N)(=O)=O)cc3F)C[C@@H]21	ZINC001165027702	721831377	/nfs/dbraw/zinc/83/13/77/721831377.db2.gz	TWSRSTRSWJEQFG-DKSSEZFCSA-N	1	1	419.526	2.000	20	0		HDADMO
COCCN1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1=O	ZINC001164920233	721844915	/nfs/dbraw/zinc/84/49/15/721844915.db2.gz	HCGWNJGMOZISGP-PMACEKPBSA-N	1	1	418.538	1.255	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1C(=O)OCC	ZINC001164929010	721855949	/nfs/dbraw/zinc/85/59/49/721855949.db2.gz	PRYBAVASPYKYBB-CVEARBPZSA-N	1	1	405.499	1.045	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1C(=O)OCC	ZINC001164929010	721855951	/nfs/dbraw/zinc/85/59/51/721855951.db2.gz	PRYBAVASPYKYBB-CVEARBPZSA-N	1	1	405.499	1.045	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164934617	721881345	/nfs/dbraw/zinc/88/13/45/721881345.db2.gz	SRONATZSJVKMHI-MOPGFXCFSA-N	1	1	409.600	1.621	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164934617	721881347	/nfs/dbraw/zinc/88/13/47/721881347.db2.gz	SRONATZSJVKMHI-MOPGFXCFSA-N	1	1	409.600	1.621	20	0		HDADMO
Clc1nc(N2CCOCC2)nc(N2CC[NH+](CCOc3ccccc3)CC2)n1	ZINC001165044936	721953776	/nfs/dbraw/zinc/95/37/76/721953776.db2.gz	ROLOEHDOENRHKM-UHFFFAOYSA-N	1	1	404.902	1.563	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1	ZINC001164962676	722024888	/nfs/dbraw/zinc/02/48/88/722024888.db2.gz	QUDAZPOCCGUMNT-UHFFFAOYSA-N	1	1	405.499	1.756	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@]4(C[C@H]4C(=O)NCc4cccnc4)C3)n2)CC1	ZINC001164956275	722034897	/nfs/dbraw/zinc/03/48/97/722034897.db2.gz	DDVMYWHUXPIBBB-AVRDEDQJSA-N	1	1	407.522	1.156	20	0		HDADMO
NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1	ZINC001164967448	722074391	/nfs/dbraw/zinc/07/43/91/722074391.db2.gz	QKBYNLFJDNPMDH-TXEJJXNPSA-N	1	1	422.885	1.227	20	0		HDADMO
NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1	ZINC001164967448	722074392	/nfs/dbraw/zinc/07/43/92/722074392.db2.gz	QKBYNLFJDNPMDH-TXEJJXNPSA-N	1	1	422.885	1.227	20	0		HDADMO
CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1C(=O)OCC	ZINC001164968152	722077902	/nfs/dbraw/zinc/07/79/02/722077902.db2.gz	TVOKZHWZKHSEFH-IYBDPMFKSA-N	1	1	403.479	1.734	20	0		HDADMO
Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@@H]21	ZINC001164973625	722093590	/nfs/dbraw/zinc/09/35/90/722093590.db2.gz	BHDQDHCRPDHIFP-NLWGTHIKSA-N	1	1	410.522	1.576	20	0		HDADMO
NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164981785	722102912	/nfs/dbraw/zinc/10/29/12/722102912.db2.gz	MKSKVSYODNMXRR-CRAIPNDOSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164981275	722107127	/nfs/dbraw/zinc/10/71/27/722107127.db2.gz	KXPCTLHGIXQQDQ-GOEBONIOSA-N	1	1	402.886	1.351	20	0		HDADMO
CCOC(=O)Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164979161	722124462	/nfs/dbraw/zinc/12/44/62/722124462.db2.gz	PHDIBMFPQHVEEI-WOJBJXKFSA-N	1	1	411.506	1.705	20	0		HDADMO
NC(=O)c1nc(Cl)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164971039	722125842	/nfs/dbraw/zinc/12/58/42/722125842.db2.gz	BDTSVNKZSVLXCB-GJZGRUSLSA-N	1	1	402.886	1.351	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164982228	722126504	/nfs/dbraw/zinc/12/65/04/722126504.db2.gz	WOUFEDGDMAAZNC-CABCVRRESA-N	1	1	402.886	1.351	20	0		HDADMO
O=c1ccccn1-c1nccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164984172	722145520	/nfs/dbraw/zinc/14/55/20/722145520.db2.gz	VZGLUORVFBXXCA-UXHICEINSA-N	1	1	418.501	1.750	20	0		HDADMO
CN1CCN(c2nccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1	ZINC001164978905	722149634	/nfs/dbraw/zinc/14/96/34/722149634.db2.gz	KRHGRMNBNJXEOD-SFTDATJTSA-N	1	1	423.565	1.351	20	0		HDADMO
CCOC(=O)c1cc(C)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164996441	722231865	/nfs/dbraw/zinc/23/18/65/722231865.db2.gz	HKPLWJIYBLOXIL-UHFFFAOYSA-N	1	1	411.510	1.109	20	0		HDADMO
CCOC(=O)c1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1C	ZINC001164997106	722234156	/nfs/dbraw/zinc/23/41/56/722234156.db2.gz	KNIZSNUJEPHOKH-UHFFFAOYSA-N	1	1	410.522	1.714	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cc4c2CNC4=O)CC3)CC1	ZINC001164997126	722235095	/nfs/dbraw/zinc/23/50/95/722235095.db2.gz	LCKQVXAWPKLDEH-UHFFFAOYSA-N	1	1	413.913	1.125	20	0		HDADMO
COc1cc2c(cc1F)ncnc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997748	722235347	/nfs/dbraw/zinc/23/53/47/722235347.db2.gz	VDEKUCACJVWXQH-UHFFFAOYSA-N	1	1	423.496	1.925	20	0		HDADMO
CSc1cnc(Cl)c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001165001815	722236463	/nfs/dbraw/zinc/23/64/63/722236463.db2.gz	MJMCAOZJJCSIHI-UHFFFAOYSA-N	1	1	405.959	1.999	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN([C@@H](F)Oc2cncc(Cl)n2)CC3)CC1	ZINC001165001985	722239029	/nfs/dbraw/zinc/23/90/29/722239029.db2.gz	PVWLBOAFVARBMD-GOSISDBHSA-N	1	1	407.881	1.405	20	0		HDADMO
C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1CNCC3)CCC2	ZINC001165002100	722250449	/nfs/dbraw/zinc/25/04/49/722250449.db2.gz	WERBTEOMMCHWRJ-UHFFFAOYSA-N	1	1	405.934	1.461	20	0		HDADMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000429044449	1073456931	/nfs/dbraw/zinc/45/69/31/1073456931.db2.gz	UIZMCLQOOJSHKV-UGKGYDQZSA-N	1	1	400.523	1.589	20	0		HDADMO
COC(=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000429046415	1073462495	/nfs/dbraw/zinc/46/24/95/1073462495.db2.gz	NJCJXIBVQAOVHM-RTBURBONSA-N	1	1	405.495	1.251	20	0		HDADMO
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429050196	1073465340	/nfs/dbraw/zinc/46/53/40/1073465340.db2.gz	XORKPHKNTXNQMY-SJORKVTESA-N	1	1	413.609	1.684	20	0		HDADMO
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429050196	1073465352	/nfs/dbraw/zinc/46/53/52/1073465352.db2.gz	XORKPHKNTXNQMY-SJORKVTESA-N	1	1	413.609	1.684	20	0		HDADMO
C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Oc1ccc(Cl)cc1	ZINC000429051673	1073479548	/nfs/dbraw/zinc/47/95/48/1073479548.db2.gz	AHPFEBBFBUXZOT-QFBILLFUSA-N	1	1	423.941	1.937	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1	ZINC000429055536	1073486315	/nfs/dbraw/zinc/48/63/15/1073486315.db2.gz	VRGIFCCNRKMHDS-LJQANCHMSA-N	1	1	423.579	1.980	20	0		HDADMO
O=C(Nc1nncs1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673644938	1073505490	/nfs/dbraw/zinc/50/54/90/1073505490.db2.gz	VZOFYHWNAQZFBO-MRXNPFEDSA-N	1	1	400.508	1.775	20	0		HDADMO
O=C(Nc1nncs1)C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673644938	1073505499	/nfs/dbraw/zinc/50/54/99/1073505499.db2.gz	VZOFYHWNAQZFBO-MRXNPFEDSA-N	1	1	400.508	1.775	20	0		HDADMO
CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000429069194	1073507609	/nfs/dbraw/zinc/50/76/09/1073507609.db2.gz	PGEMTHWJIOEBKY-MRXNPFEDSA-N	1	1	412.581	1.781	20	0		HDADMO
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC001299281972	1073515191	/nfs/dbraw/zinc/51/51/91/1073515191.db2.gz	VOUAQTDANVEDQV-FUHWJXTLSA-N	1	1	412.575	1.983	20	0		HDADMO
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCC[NH+]1Cc2ccccc2C1	ZINC000673647511	1073516329	/nfs/dbraw/zinc/51/63/29/1073516329.db2.gz	HJWLVZBFERVPOQ-UHFFFAOYSA-N	1	1	410.518	1.735	20	0		HDADMO
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1	ZINC000509101630	1073525729	/nfs/dbraw/zinc/52/57/29/1073525729.db2.gz	YWACVTJRQWOKBS-XOBRGWDASA-N	1	1	401.511	1.927	20	0		HDADMO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H](CCCO)c1ccccc1	ZINC000509109213	1073550320	/nfs/dbraw/zinc/55/03/20/1073550320.db2.gz	IEOZOWLIHOKFPH-FQEVSTJZSA-N	1	1	404.555	1.101	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H](CCCO)c1ccccc1	ZINC000509109213	1073550327	/nfs/dbraw/zinc/55/03/27/1073550327.db2.gz	IEOZOWLIHOKFPH-FQEVSTJZSA-N	1	1	404.555	1.101	20	0		HDADMO
O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625183914	1073551615	/nfs/dbraw/zinc/55/16/15/1073551615.db2.gz	OWVKDZFYPIKQNZ-GOSISDBHSA-N	1	1	424.501	1.337	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[C@H]1O	ZINC000509114608	1073573328	/nfs/dbraw/zinc/57/33/28/1073573328.db2.gz	WYMQCDUTDODMCQ-GXTWGEPZSA-N	1	1	402.358	1.467	20	0		HDADMO
O=C(CN1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1)NC1CCCCC1	ZINC000673658108	1073598360	/nfs/dbraw/zinc/59/83/60/1073598360.db2.gz	LFMXHNTXNIULTG-OAQYLSRUSA-N	1	1	413.566	1.639	20	0		HDADMO
O=C(CN1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1)NC1CCCCC1	ZINC000673658108	1073598373	/nfs/dbraw/zinc/59/83/73/1073598373.db2.gz	LFMXHNTXNIULTG-OAQYLSRUSA-N	1	1	413.566	1.639	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3Cc4cccc(O)c4C3)CC2)CC1	ZINC000429110681	1073607489	/nfs/dbraw/zinc/60/74/89/1073607489.db2.gz	AMYDZTRMBUAMNV-IBGZPJMESA-N	1	1	414.550	1.835	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673659217	1073610434	/nfs/dbraw/zinc/61/04/34/1073610434.db2.gz	OOZZEUCUOVFWHS-NQIIRXRSSA-N	1	1	413.566	1.638	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673659217	1073610439	/nfs/dbraw/zinc/61/04/39/1073610439.db2.gz	OOZZEUCUOVFWHS-NQIIRXRSSA-N	1	1	413.566	1.638	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1	ZINC000673667421	1073619569	/nfs/dbraw/zinc/61/95/69/1073619569.db2.gz	XEGZLNMKRCTFDC-VQIMIIECSA-N	1	1	411.506	1.137	20	0		HDADMO
CN(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl	ZINC000673673093	1073628103	/nfs/dbraw/zinc/62/81/03/1073628103.db2.gz	QIQPKGZMMQINPO-KXBFYZLASA-N	1	1	412.937	1.605	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)CC2)C1	ZINC000673673466	1073628644	/nfs/dbraw/zinc/62/86/44/1073628644.db2.gz	SACCOXLHBCKAQY-QUCCMNQESA-N	1	1	405.587	1.589	20	0		HDADMO
CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673673710	1073629982	/nfs/dbraw/zinc/62/99/82/1073629982.db2.gz	ZDVJARBNRDSHKP-INIZCTEOSA-N	1	1	405.568	1.521	20	0		HDADMO
O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673679323	1073633002	/nfs/dbraw/zinc/63/30/02/1073633002.db2.gz	YBJVXUOBXLYXES-CTNGQTDRSA-N	1	1	408.502	1.842	20	0		HDADMO
O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673679323	1073633008	/nfs/dbraw/zinc/63/30/08/1073633008.db2.gz	YBJVXUOBXLYXES-CTNGQTDRSA-N	1	1	408.502	1.842	20	0		HDADMO
Cc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1S(N)(=O)=O	ZINC000673684430	1073639019	/nfs/dbraw/zinc/63/90/19/1073639019.db2.gz	QZBRRQDBCSOFGT-FQEVSTJZSA-N	1	1	403.504	1.009	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000673685174	1073640236	/nfs/dbraw/zinc/64/02/36/1073640236.db2.gz	VYJOMFBJJDQJGD-HXUWFJFHSA-N	1	1	416.547	1.791	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000673685174	1073640243	/nfs/dbraw/zinc/64/02/43/1073640243.db2.gz	VYJOMFBJJDQJGD-HXUWFJFHSA-N	1	1	416.547	1.791	20	0		HDADMO
CN(c1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1)S(C)(=O)=O	ZINC000673703727	1073644724	/nfs/dbraw/zinc/64/47/24/1073644724.db2.gz	DAWDJWZGHAGYMG-GOSISDBHSA-N	1	1	408.568	1.956	20	0		HDADMO
CCOC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1	ZINC000673710392	1073649984	/nfs/dbraw/zinc/64/99/84/1073649984.db2.gz	YXTKVYZSDBLXNF-NJYVYQBISA-N	1	1	405.539	1.940	20	0		HDADMO
CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1	ZINC000673713796	1073653476	/nfs/dbraw/zinc/65/34/76/1073653476.db2.gz	GCPIZOIWFYKFEK-YADHBBJMSA-N	1	1	402.583	1.666	20	0		HDADMO
CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1	ZINC000673713796	1073653479	/nfs/dbraw/zinc/65/34/79/1073653479.db2.gz	GCPIZOIWFYKFEK-YADHBBJMSA-N	1	1	402.583	1.666	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1	ZINC000673715456	1073654288	/nfs/dbraw/zinc/65/42/88/1073654288.db2.gz	VVXAIADLRKKQNQ-HXUWFJFHSA-N	1	1	410.518	1.373	20	0		HDADMO
C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673741356	1073674236	/nfs/dbraw/zinc/67/42/36/1073674236.db2.gz	WMGCGALITNZKSD-RDJZCZTQSA-N	1	1	412.538	1.308	20	0		HDADMO
C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673741356	1073674241	/nfs/dbraw/zinc/67/42/41/1073674241.db2.gz	WMGCGALITNZKSD-RDJZCZTQSA-N	1	1	412.538	1.308	20	0		HDADMO
CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1	ZINC000673741144	1073674398	/nfs/dbraw/zinc/67/43/98/1073674398.db2.gz	RTPUTTATONVQAZ-IBGZPJMESA-N	1	1	416.570	1.230	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1	ZINC000673741144	1073674403	/nfs/dbraw/zinc/67/44/03/1073674403.db2.gz	RTPUTTATONVQAZ-IBGZPJMESA-N	1	1	416.570	1.230	20	0		HDADMO
COc1ccc2cc(C[N@H+](C)CC(=O)N3CCN(CC(=O)N(C)C)CC3)ccc2c1	ZINC000028730749	1073674419	/nfs/dbraw/zinc/67/44/19/1073674419.db2.gz	OKECDVKEERVDQV-UHFFFAOYSA-N	1	1	412.534	1.513	20	0		HDADMO
COc1ccc2cc(C[N@@H+](C)CC(=O)N3CCN(CC(=O)N(C)C)CC3)ccc2c1	ZINC000028730749	1073674420	/nfs/dbraw/zinc/67/44/20/1073674420.db2.gz	OKECDVKEERVDQV-UHFFFAOYSA-N	1	1	412.534	1.513	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1	ZINC000673742054	1073676252	/nfs/dbraw/zinc/67/62/52/1073676252.db2.gz	JAFKVABXAKAAOF-UHFFFAOYSA-N	1	1	404.559	1.089	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1	ZINC000673742054	1073676255	/nfs/dbraw/zinc/67/62/55/1073676255.db2.gz	JAFKVABXAKAAOF-UHFFFAOYSA-N	1	1	404.559	1.089	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1	ZINC000673742054	1073676258	/nfs/dbraw/zinc/67/62/58/1073676258.db2.gz	JAFKVABXAKAAOF-UHFFFAOYSA-N	1	1	404.559	1.089	20	0		HDADMO
CCC[C@H]1C[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCO1	ZINC000509130567	1073680797	/nfs/dbraw/zinc/68/07/97/1073680797.db2.gz	YGDLUWYGNFYZBW-UXHICEINSA-N	1	1	409.571	1.659	20	0		HDADMO
COc1cc(C)ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1	ZINC001004762124	1073687027	/nfs/dbraw/zinc/68/70/27/1073687027.db2.gz	ZFMBNEDFLYDFGM-XXFFEUEESA-N	1	1	401.507	1.584	20	0		HDADMO
COc1cc(C)ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1	ZINC001004762124	1073687033	/nfs/dbraw/zinc/68/70/33/1073687033.db2.gz	ZFMBNEDFLYDFGM-XXFFEUEESA-N	1	1	401.507	1.584	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	ZINC000673753719	1073688761	/nfs/dbraw/zinc/68/87/61/1073688761.db2.gz	QEJGEOJUGCRYKH-INIZCTEOSA-N	1	1	421.501	1.369	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1	ZINC000429126563	1073697532	/nfs/dbraw/zinc/69/75/32/1073697532.db2.gz	HWIHZKOBUCNEPN-VQIMIIECSA-N	1	1	408.568	1.478	20	0		HDADMO
COCC[N@@H+](C)CCCC1CCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1	ZINC000509140418	1073710283	/nfs/dbraw/zinc/71/02/83/1073710283.db2.gz	QLKMPPDTXCJKQW-UHFFFAOYSA-N	1	1	417.616	1.981	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1	ZINC000429141592	1073755845	/nfs/dbraw/zinc/75/58/45/1073755845.db2.gz	JYXGUAJRIOOXPQ-LJQANCHMSA-N	1	1	410.584	1.724	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1Cc2ccccc2O[C@H](C)C1	ZINC000429142471	1073758472	/nfs/dbraw/zinc/75/84/72/1073758472.db2.gz	NUUBODASEFFMSC-CVEARBPZSA-N	1	1	417.531	1.664	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1Cc2ccccc2O[C@H](C)C1	ZINC000429142471	1073758479	/nfs/dbraw/zinc/75/84/79/1073758479.db2.gz	NUUBODASEFFMSC-CVEARBPZSA-N	1	1	417.531	1.664	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)C1	ZINC000673816390	1073760697	/nfs/dbraw/zinc/76/06/97/1073760697.db2.gz	CYPVJBWJCRRFRY-MJGOQNOKSA-N	1	1	408.506	1.781	20	0		HDADMO
CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(I)cc2C)CC1	ZINC000029161594	1073775766	/nfs/dbraw/zinc/77/57/66/1073775766.db2.gz	AGSBMSWDCJYVAQ-UHFFFAOYSA-N	1	1	415.275	1.996	20	0		HDADMO
Cc1cc(C(=O)CN2CC[NH+](C[C@H]3CCCO3)CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1	ZINC000673830338	1073787807	/nfs/dbraw/zinc/78/78/07/1073787807.db2.gz	YYARASPBLLYPPY-RTBURBONSA-N	1	1	423.579	1.444	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1	ZINC000673830806	1073790297	/nfs/dbraw/zinc/79/02/97/1073790297.db2.gz	OEPNDWYCZQYMFZ-RTWAWAEBSA-N	1	1	408.550	1.940	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1	ZINC000673830806	1073790307	/nfs/dbraw/zinc/79/03/07/1073790307.db2.gz	OEPNDWYCZQYMFZ-RTWAWAEBSA-N	1	1	408.550	1.940	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1	ZINC000673830806	1073790312	/nfs/dbraw/zinc/79/03/12/1073790312.db2.gz	OEPNDWYCZQYMFZ-RTWAWAEBSA-N	1	1	408.550	1.940	20	0		HDADMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1	ZINC000429152043	1073792489	/nfs/dbraw/zinc/79/24/89/1073792489.db2.gz	PYSDWDLZKZJNLT-MSOLQXFVSA-N	1	1	409.552	1.875	20	0		HDADMO
Cn1c2ncn(CC[N@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)c2c(=O)n(C)c1=O	ZINC000429156151	1073802768	/nfs/dbraw/zinc/80/27/68/1073802768.db2.gz	DVXXQMCWAYECQE-OAHLLOKOSA-N	1	1	419.938	1.954	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)[C@H]2CCCN2c2ncccn2)c2cccs2)CC1	ZINC000673839355	1073803407	/nfs/dbraw/zinc/80/34/07/1073803407.db2.gz	ZXIUTFFVYCFITR-IAGOWNOFSA-N	1	1	400.552	1.612	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1	ZINC000429154266	1073806049	/nfs/dbraw/zinc/80/60/49/1073806049.db2.gz	ZMULOMYSCUWJDV-UHFFFAOYSA-N	1	1	403.932	1.607	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)CC1	ZINC000673838476	1073811995	/nfs/dbraw/zinc/81/19/95/1073811995.db2.gz	NSRMBYKCVPPLMV-INIZCTEOSA-N	1	1	403.918	1.278	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)CC1	ZINC000673838476	1073812001	/nfs/dbraw/zinc/81/20/01/1073812001.db2.gz	NSRMBYKCVPPLMV-INIZCTEOSA-N	1	1	403.918	1.278	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCCN3c3ncccn3)c2)C1	ZINC000673837998	1073812700	/nfs/dbraw/zinc/81/27/00/1073812700.db2.gz	QNLWEMLSRKMMAG-WOJBJXKFSA-N	1	1	422.533	1.459	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1	ZINC000673848312	1073814010	/nfs/dbraw/zinc/81/40/10/1073814010.db2.gz	PVTWSPKQFIWJHV-OAHLLOKOSA-N	1	1	422.327	1.622	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CCOCC2)C1=O	ZINC000673849598	1073815251	/nfs/dbraw/zinc/81/52/51/1073815251.db2.gz	DEHBBVKFGASMHG-PZJWPPBQSA-N	1	1	414.550	1.978	20	0		HDADMO
CC(C)OCC[NH+]1CCC(NC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000673844721	1073819540	/nfs/dbraw/zinc/81/95/40/1073819540.db2.gz	JFKQSTOBVZKNEI-HNNXBMFYSA-N	1	1	400.516	1.994	20	0		HDADMO
CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673844185	1073820023	/nfs/dbraw/zinc/82/00/23/1073820023.db2.gz	DMYJFQRBANBOKI-FQEVSTJZSA-N	1	1	410.522	1.710	20	0		HDADMO
CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000466544963	1073829778	/nfs/dbraw/zinc/82/97/78/1073829778.db2.gz	YOBBLLXDKHAHCN-UHFFFAOYSA-N	1	1	419.526	1.650	20	0		HDADMO
COc1cc(C[C@H](CO)CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cc(OC)c1	ZINC000673875488	1073842562	/nfs/dbraw/zinc/84/25/62/1073842562.db2.gz	AZURTPCPWBZVDJ-SFHVURJKSA-N	1	1	422.570	1.180	20	0		HDADMO
COCCN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O	ZINC000509164436	1073868899	/nfs/dbraw/zinc/86/88/99/1073868899.db2.gz	HXTHOZQSNSNCJH-IHWFROFDSA-N	1	1	400.523	1.682	20	0		HDADMO
CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673907007	1073873413	/nfs/dbraw/zinc/87/34/13/1073873413.db2.gz	UDZAKPYLFKHQHJ-LJQANCHMSA-N	1	1	411.568	1.359	20	0		HDADMO
O=C(c1nc2n(n1)CCCN2)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000673921668	1073892163	/nfs/dbraw/zinc/89/21/63/1073892163.db2.gz	GSKIFQKSQFVPHB-UHFFFAOYSA-N	1	1	408.428	1.718	20	0		HDADMO
O=C(c1nc2n(n1)CCCN2)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000673921668	1073892170	/nfs/dbraw/zinc/89/21/70/1073892170.db2.gz	GSKIFQKSQFVPHB-UHFFFAOYSA-N	1	1	408.428	1.718	20	0		HDADMO
C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000670432458	1073927227	/nfs/dbraw/zinc/92/72/27/1073927227.db2.gz	SLJWQYKKXPFXND-IHPCNDPISA-N	1	1	403.523	1.013	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	ZINC000429174496	1073943432	/nfs/dbraw/zinc/94/34/32/1073943432.db2.gz	YSYZPRPZGDRPGY-IPJJNNNSSA-N	1	1	420.529	1.538	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	ZINC000429174494	1073943507	/nfs/dbraw/zinc/94/35/07/1073943507.db2.gz	YSYZPRPZGDRPGY-CNNODRBYSA-N	1	1	420.529	1.538	20	0		HDADMO
CC[C@@H]1Oc2cc([C@H](C)NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2NC1=O	ZINC000670438093	1073953021	/nfs/dbraw/zinc/95/30/21/1073953021.db2.gz	JQMWBTHJKZAYDW-DNMXQMFDSA-N	1	1	414.506	1.668	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1	ZINC000467668140	1073957205	/nfs/dbraw/zinc/95/72/05/1073957205.db2.gz	OTSAKVSQWUWOMX-ZDUSSCGKSA-N	1	1	423.535	1.579	20	0		HDADMO
C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000543518638	1073974268	/nfs/dbraw/zinc/97/42/68/1073974268.db2.gz	YCTCMSOCQHCUFL-CHWSQXEVSA-N	1	1	410.434	1.888	20	0		HDADMO
CN1CC[NH+](CC2(C)CCN(CC(=O)NCCN3CCc4ccccc43)CC2)CC1	ZINC000543522291	1073991246	/nfs/dbraw/zinc/99/12/46/1073991246.db2.gz	FYTMUDLHCJFLFS-UHFFFAOYSA-N	1	1	413.610	1.515	20	0		HDADMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCCc2ccc(F)cc21	ZINC000543527477	1074010054	/nfs/dbraw/zinc/01/00/54/1074010054.db2.gz	DVEQEPMZXFDHCT-FQEVSTJZSA-N	1	1	411.477	1.988	20	0		HDADMO
CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)C1	ZINC000543531085	1074022765	/nfs/dbraw/zinc/02/27/65/1074022765.db2.gz	HECQORTUDIJZQB-HNNXBMFYSA-N	1	1	412.494	1.066	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1	ZINC000543532413	1074024943	/nfs/dbraw/zinc/02/49/43/1074024943.db2.gz	VOZNVZLFVNDWSG-INIZCTEOSA-N	1	1	412.494	1.209	20	0		HDADMO
COCCCOc1ccc(CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1	ZINC000509191190	1074030056	/nfs/dbraw/zinc/03/00/56/1074030056.db2.gz	BASGZDNIQJBWTB-UHFFFAOYSA-N	1	1	406.527	1.407	20	0		HDADMO
Nc1ccccc1S(=O)(=O)NCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000670452277	1074048585	/nfs/dbraw/zinc/04/85/85/1074048585.db2.gz	JFWGQDJVJGZUQI-UHFFFAOYSA-N	1	1	402.520	1.282	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2	ZINC000466600872	1074062492	/nfs/dbraw/zinc/06/24/92/1074062492.db2.gz	YIKVXOXXEMRXCR-SJLPKXTDSA-N	1	1	400.527	1.949	20	0		HDADMO
COc1cc2c(cc1OC)CN(CCNC(=O)N[C@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2	ZINC000466600204	1074064962	/nfs/dbraw/zinc/06/49/62/1074064962.db2.gz	WTTYVKXYWHCVLU-KXBFYZLASA-N	1	1	402.539	1.844	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1=O	ZINC000466603794	1074068845	/nfs/dbraw/zinc/06/88/45/1074068845.db2.gz	GECSCSXEAFNPQO-TUKIKUTGSA-N	1	1	406.508	1.422	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1C	ZINC000429202477	1074070659	/nfs/dbraw/zinc/07/06/59/1074070659.db2.gz	FPSANCKOKYQQGT-MRXNPFEDSA-N	1	1	412.556	1.556	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1C	ZINC000429202477	1074070668	/nfs/dbraw/zinc/07/06/68/1074070668.db2.gz	FPSANCKOKYQQGT-MRXNPFEDSA-N	1	1	412.556	1.556	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1	ZINC000429202498	1074071041	/nfs/dbraw/zinc/07/10/41/1074071041.db2.gz	FQWLSQGPPMENSU-KRWDZBQOSA-N	1	1	424.567	1.700	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1	ZINC000429202498	1074071045	/nfs/dbraw/zinc/07/10/45/1074071045.db2.gz	FQWLSQGPPMENSU-KRWDZBQOSA-N	1	1	424.567	1.700	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1	ZINC000429202547	1074076680	/nfs/dbraw/zinc/07/66/80/1074076680.db2.gz	ZVYQUDHCQXJKSG-IBGZPJMESA-N	1	1	401.555	1.633	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1	ZINC000229086221	1074078419	/nfs/dbraw/zinc/07/84/19/1074078419.db2.gz	DNWGDBTVQKHXPI-MOPGFXCFSA-N	1	1	402.539	1.453	20	0		HDADMO
O=C(CC[N@H+]1CCO[C@H](CCc2ccccc2)C1)N1CCN(c2ncccn2)CC1	ZINC000543560748	1074101544	/nfs/dbraw/zinc/10/15/44/1074101544.db2.gz	QNEFWHVHIJSYCX-OAQYLSRUSA-N	1	1	409.534	1.849	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1	ZINC000543558770	1074102872	/nfs/dbraw/zinc/10/28/72/1074102872.db2.gz	IWHKOBQSFFKODX-INIZCTEOSA-N	1	1	416.522	1.255	20	0		HDADMO
CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000229457792	1074126412	/nfs/dbraw/zinc/12/64/12/1074126412.db2.gz	IMILTQYTPSTJHG-AEFFLSMTSA-N	1	1	422.551	1.137	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2	ZINC000466617844	1074126793	/nfs/dbraw/zinc/12/67/93/1074126793.db2.gz	JUXYQRYRQMGFOO-UHOSZYNNSA-N	1	1	412.538	1.949	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC1CCS(=O)(=O)CC1	ZINC000509208321	1074126802	/nfs/dbraw/zinc/12/68/02/1074126802.db2.gz	DHMNWUWCXDGZQG-QGZVFWFLSA-N	1	1	423.583	1.106	20	0		HDADMO
CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)c2C1	ZINC000674041136	1074127857	/nfs/dbraw/zinc/12/78/57/1074127857.db2.gz	ACXMSVDOENPFKO-AWEZNQCLSA-N	1	1	409.552	1.925	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@](C)(O)CSc1cccc(F)c1	ZINC000509210754	1074133554	/nfs/dbraw/zinc/13/35/54/1074133554.db2.gz	LKNDFOIERPEAPV-FXAWDEMLSA-N	1	1	411.543	1.728	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1nccs1	ZINC000543570646	1074135297	/nfs/dbraw/zinc/13/52/97/1074135297.db2.gz	QFBOKICVNFAVLE-CQSZACIVSA-N	1	1	415.519	1.389	20	0		HDADMO
O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccnc(O[C@H]2CCOC2)c1	ZINC000543579816	1074166020	/nfs/dbraw/zinc/16/60/20/1074166020.db2.gz	QKSZUAWBUSFGPQ-PCCBWWKXSA-N	1	1	411.502	1.862	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)C1	ZINC000674091741	1074180668	/nfs/dbraw/zinc/18/06/68/1074180668.db2.gz	VJFGGRCFPOYGSI-PXNSSMCTSA-N	1	1	404.486	1.581	20	0		HDADMO
CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC001626098349	1074182210	/nfs/dbraw/zinc/18/22/10/1074182210.db2.gz	DLHNHPNSXPBCFW-HNNXBMFYSA-N	1	1	410.540	1.343	20	0		HDADMO
CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nnc2n1CCCCC2	ZINC000674162253	1074197541	/nfs/dbraw/zinc/19/75/41/1074197541.db2.gz	ZYFBHOWTFRNAHR-MSOLQXFVSA-N	1	1	419.574	1.161	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1OC	ZINC000674148663	1074198619	/nfs/dbraw/zinc/19/86/19/1074198619.db2.gz	PPCVXWISYDJJSP-QGZVFWFLSA-N	1	1	406.527	1.634	20	0		HDADMO
Cn1ccnc1-c1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1	ZINC000674190624	1074204902	/nfs/dbraw/zinc/20/49/02/1074204902.db2.gz	ORNYXVRULTVJEF-LJQANCHMSA-N	1	1	411.506	1.739	20	0		HDADMO
CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)ccn1	ZINC000674191991	1074205349	/nfs/dbraw/zinc/20/53/49/1074205349.db2.gz	LZCWZEOZGPSGMN-AWEZNQCLSA-N	1	1	411.462	1.382	20	0		HDADMO
Cn1ccnc1-c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000674194441	1074209864	/nfs/dbraw/zinc/20/98/64/1074209864.db2.gz	KGRDHBCJRUKYEU-LJQANCHMSA-N	1	1	410.522	1.264	20	0		HDADMO
O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1	ZINC000674198571	1074214481	/nfs/dbraw/zinc/21/44/81/1074214481.db2.gz	PIAFIEXDZZKLSX-GOSISDBHSA-N	1	1	411.506	1.629	20	0		HDADMO
Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)CC2	ZINC000674199436	1074216132	/nfs/dbraw/zinc/21/61/32/1074216132.db2.gz	AQMMICSTCQTAHH-UHFFFAOYSA-N	1	1	413.440	1.997	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](CCO)C3)c2)C[C@H](C)O1	ZINC000674203671	1074218938	/nfs/dbraw/zinc/21/89/38/1074218938.db2.gz	DHDQKHNLYQYHRC-KSZLIROESA-N	1	1	403.523	1.855	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](CCO)C3)c2)C[C@H](C)O1	ZINC000674203671	1074218944	/nfs/dbraw/zinc/21/89/44/1074218944.db2.gz	DHDQKHNLYQYHRC-KSZLIROESA-N	1	1	403.523	1.855	20	0		HDADMO
C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](CCO)C3)c2)C[C@@H](C)O1	ZINC000674203673	1074219024	/nfs/dbraw/zinc/21/90/24/1074219024.db2.gz	DHDQKHNLYQYHRC-KURKYZTESA-N	1	1	403.523	1.855	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@H](CCO)C3)cc2)CC1	ZINC000674204795	1074219850	/nfs/dbraw/zinc/21/98/50/1074219850.db2.gz	BUHWVCFLZOEFOK-QGZVFWFLSA-N	1	1	416.522	1.024	20	0		HDADMO
CC[C@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000674222934	1074232484	/nfs/dbraw/zinc/23/24/84/1074232484.db2.gz	BDOOHNUXMRIZPM-SJLPKXTDSA-N	1	1	418.538	1.316	20	0		HDADMO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000674269491	1074250200	/nfs/dbraw/zinc/25/02/00/1074250200.db2.gz	ICTSTMGDTHXCCI-MRXNPFEDSA-N	1	1	402.495	1.326	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000674272869	1074252661	/nfs/dbraw/zinc/25/26/61/1074252661.db2.gz	JEKYCKNHVLLMHV-FQEVSTJZSA-N	1	1	400.504	1.495	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1	ZINC000674272294	1074253046	/nfs/dbraw/zinc/25/30/46/1074253046.db2.gz	WLHCUEQPFPSTLU-UHFFFAOYSA-N	1	1	405.568	1.809	20	0		HDADMO
Cn1cc(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2=O)cn1	ZINC000674274043	1074253173	/nfs/dbraw/zinc/25/31/73/1074253173.db2.gz	NIDHMKZXHULEKF-IBGZPJMESA-N	1	1	410.522	1.691	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C2)CC1	ZINC000674274377	1074254328	/nfs/dbraw/zinc/25/43/28/1074254328.db2.gz	OLDFMKBSYSCDRP-GHTZIAJQSA-N	1	1	408.587	1.915	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C2)CC1	ZINC000674274377	1074254330	/nfs/dbraw/zinc/25/43/30/1074254330.db2.gz	OLDFMKBSYSCDRP-GHTZIAJQSA-N	1	1	408.587	1.915	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1	ZINC000674274353	1074254424	/nfs/dbraw/zinc/25/44/24/1074254424.db2.gz	NYOZUZFMOIUCGV-QGZVFWFLSA-N	1	1	407.509	1.965	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1	ZINC000674274353	1074254428	/nfs/dbraw/zinc/25/44/28/1074254428.db2.gz	NYOZUZFMOIUCGV-QGZVFWFLSA-N	1	1	407.509	1.965	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000674294640	1074258011	/nfs/dbraw/zinc/25/80/11/1074258011.db2.gz	HQICCZBPTGMZOP-SFHVURJKSA-N	1	1	423.508	1.203	20	0		HDADMO
CCCn1cc[nH+]c1CCCN(C)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1	ZINC000429226535	1074261570	/nfs/dbraw/zinc/26/15/70/1074261570.db2.gz	LBOFSKWIBWYQTR-UHFFFAOYSA-N	1	1	417.539	1.737	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1	ZINC000674298050	1074262401	/nfs/dbraw/zinc/26/24/01/1074262401.db2.gz	NEILRBZYUNASRW-GOSISDBHSA-N	1	1	421.523	1.010	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)C2CC2)CC1	ZINC000674315058	1074270387	/nfs/dbraw/zinc/27/03/87/1074270387.db2.gz	VXHRUMNGFDHFBR-FQEVSTJZSA-N	1	1	402.539	1.034	20	0		HDADMO
CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000674335456	1074283919	/nfs/dbraw/zinc/28/39/19/1074283919.db2.gz	NLYIHTIHMURVRS-UHFFFAOYSA-N	1	1	410.584	1.774	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-c2nc(C3CC3)no2)cc1	ZINC000674360798	1074292252	/nfs/dbraw/zinc/29/22/52/1074292252.db2.gz	ZLWGJXXTBXDUKU-IBGZPJMESA-N	1	1	411.506	1.750	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)[nH]n2)cc1OC	ZINC000674360668	1074292281	/nfs/dbraw/zinc/29/22/81/1074292281.db2.gz	SKGLANWFWOYANL-ROUUACIJSA-N	1	1	400.479	1.765	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)CCN2C1=O	ZINC000674379087	1074304108	/nfs/dbraw/zinc/30/41/08/1074304108.db2.gz	VSKPOTRVELJUNO-BXWFABGCSA-N	1	1	414.506	1.404	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1=O	ZINC000674437911	1074335651	/nfs/dbraw/zinc/33/56/51/1074335651.db2.gz	FKPMTGJBOVXVLR-GCJKJVERSA-N	1	1	413.522	1.624	20	0		HDADMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C1	ZINC000674433178	1074343411	/nfs/dbraw/zinc/34/34/11/1074343411.db2.gz	SPEBQMQXODGWHQ-ZOCZFRKYSA-N	1	1	407.559	1.907	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000674499456	1074392465	/nfs/dbraw/zinc/39/24/65/1074392465.db2.gz	BJVUJEYFANKXAL-GOSISDBHSA-N	1	1	409.552	1.588	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3cc(OC)c(Cl)cc3OC)CCN2C1=O	ZINC000674500547	1074396000	/nfs/dbraw/zinc/39/60/00/1074396000.db2.gz	BCHQDFJZWBJZKO-CQSZACIVSA-N	1	1	424.885	1.654	20	0		HDADMO
Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2C[C@H](O)C[C@H](O)C2)c2ccccc2)cc1	ZINC000674496891	1074408025	/nfs/dbraw/zinc/40/80/25/1074408025.db2.gz	BKLWXFKWLHWCFJ-SVFBPWRDSA-N	1	1	404.532	1.832	20	0		HDADMO
Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)cs1	ZINC000674583039	1074449069	/nfs/dbraw/zinc/44/90/69/1074449069.db2.gz	YGMWQXDZXPSHGQ-QRWLVFNGSA-N	1	1	419.551	1.500	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O	ZINC000674595210	1074474373	/nfs/dbraw/zinc/47/43/73/1074474373.db2.gz	TWXGAIZCBYIGEL-WMZOPIPTSA-N	1	1	402.470	1.533	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1=O	ZINC000674643040	1074502130	/nfs/dbraw/zinc/50/21/30/1074502130.db2.gz	MUWRQSPPJMJABR-SPEDKVCISA-N	1	1	413.522	1.623	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000674667123	1074512197	/nfs/dbraw/zinc/51/21/97/1074512197.db2.gz	AENNDFIPUJFMPY-QGZVFWFLSA-N	1	1	423.579	1.596	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000674667123	1074512202	/nfs/dbraw/zinc/51/22/02/1074512202.db2.gz	AENNDFIPUJFMPY-QGZVFWFLSA-N	1	1	423.579	1.596	20	0		HDADMO
C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000674668986	1074519851	/nfs/dbraw/zinc/51/98/51/1074519851.db2.gz	IGIGGPNUVQDDHR-YJBOKZPZSA-N	1	1	409.552	1.253	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3C[C@H](OC)C3(C)C)cc2)CC1	ZINC000674682748	1074522793	/nfs/dbraw/zinc/52/27/93/1074522793.db2.gz	WIZUGXJFRDXOGS-ROUUACIJSA-N	1	1	416.522	1.333	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1	ZINC000674684018	1074523135	/nfs/dbraw/zinc/52/31/35/1074523135.db2.gz	UKLMOYLXXPBGQY-UHFFFAOYSA-N	1	1	405.520	1.985	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)C[C@H]1C	ZINC000674714750	1074533935	/nfs/dbraw/zinc/53/39/35/1074533935.db2.gz	AMOQVEQZLCUCBD-CRAIPNDOSA-N	1	1	401.511	1.952	20	0		HDADMO
Cc1ccc2cccc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)c2n1	ZINC000674709702	1074537580	/nfs/dbraw/zinc/53/75/80/1074537580.db2.gz	GWEFRVGIJMDXAK-QGZVFWFLSA-N	1	1	402.520	1.646	20	0		HDADMO
Cc1ccc2cccc(S(=O)(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)c2n1	ZINC000674709702	1074537581	/nfs/dbraw/zinc/53/75/81/1074537581.db2.gz	GWEFRVGIJMDXAK-QGZVFWFLSA-N	1	1	402.520	1.646	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[C@H]1C[N@H+](C)CCO1	ZINC000674811382	1074576349	/nfs/dbraw/zinc/57/63/49/1074576349.db2.gz	DDFGOPVMMXTKSG-MAUKXSAKSA-N	1	1	416.547	1.380	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[C@H]1C[N@@H+](C)CCO1	ZINC000674811382	1074576356	/nfs/dbraw/zinc/57/63/56/1074576356.db2.gz	DDFGOPVMMXTKSG-MAUKXSAKSA-N	1	1	416.547	1.380	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(-n4cnnn4)c(C)c3)C2)cc(OC)c1	ZINC000674839052	1074585672	/nfs/dbraw/zinc/58/56/72/1074585672.db2.gz	NIMRQKDJBNJXDH-GOSISDBHSA-N	1	1	422.489	1.992	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(-n4cnnn4)c(C)c3)C2)cc(OC)c1	ZINC000674839052	1074585679	/nfs/dbraw/zinc/58/56/79/1074585679.db2.gz	NIMRQKDJBNJXDH-GOSISDBHSA-N	1	1	422.489	1.992	20	0		HDADMO
CC[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1	ZINC000674898639	1074605549	/nfs/dbraw/zinc/60/55/49/1074605549.db2.gz	RZZCSFRBUGCBBL-IFXJQAMLSA-N	1	1	410.474	1.973	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)CCOCC3CC3)cc2)CC1	ZINC000674897828	1074605594	/nfs/dbraw/zinc/60/55/94/1074605594.db2.gz	NKMDHAKBXDLYBV-UHFFFAOYSA-N	1	1	416.522	1.288	20	0		HDADMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1	ZINC001128873019	1074606110	/nfs/dbraw/zinc/60/61/10/1074606110.db2.gz	XYGZTKGAUXKFBY-QGZVFWFLSA-N	1	1	412.556	1.635	20	0		HDADMO
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000674892617	1074608618	/nfs/dbraw/zinc/60/86/18/1074608618.db2.gz	LFBMQXCRIMJBLJ-YOEHRIQHSA-N	1	1	408.449	1.576	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)c2)CCO1	ZINC000674921253	1074622419	/nfs/dbraw/zinc/62/24/19/1074622419.db2.gz	ZFMOPFVUXMBMMR-DUXKGJEZSA-N	1	1	403.523	1.997	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)c2)CCO1	ZINC000674921253	1074622431	/nfs/dbraw/zinc/62/24/31/1074622431.db2.gz	ZFMOPFVUXMBMMR-DUXKGJEZSA-N	1	1	403.523	1.997	20	0		HDADMO
Cc1c(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674948380	1074634852	/nfs/dbraw/zinc/63/48/52/1074634852.db2.gz	TZBSFHGGHQXJMD-VQTJNVASSA-N	1	1	411.506	1.584	20	0		HDADMO
C[C@H](NC(=O)N1CCC(OCCCO)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000674982413	1074658398	/nfs/dbraw/zinc/65/83/98/1074658398.db2.gz	CPMKLSOMYJZJES-RXVVDRJESA-N	1	1	405.539	1.849	20	0		HDADMO
C[C@H](NC(=O)N1CCC(OCCCO)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000674982413	1074658400	/nfs/dbraw/zinc/65/84/00/1074658400.db2.gz	CPMKLSOMYJZJES-RXVVDRJESA-N	1	1	405.539	1.849	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1)[NH+]1CCOCC1	ZINC000674999443	1074666448	/nfs/dbraw/zinc/66/64/48/1074666448.db2.gz	ZTLAUBSROPJGPA-LSTHTHJFSA-N	1	1	417.506	1.425	20	0		HDADMO
C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)Nc3cnn(CCO)c3)c2)C[C@@H](C)O1	ZINC000674994293	1074669752	/nfs/dbraw/zinc/66/97/52/1074669752.db2.gz	NOJOMSDKCLYMIW-HUUCEWRRSA-N	1	1	401.467	1.062	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)nn1-c1cccc(Cl)c1	ZINC000441010232	1074684566	/nfs/dbraw/zinc/68/45/66/1074684566.db2.gz	IFVCNTNJUAIDON-SUMWQHHRSA-N	1	1	403.914	2.571	20	0		HDADMO
Cc1noc(CCC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)n1	ZINC001128931854	1074693255	/nfs/dbraw/zinc/69/32/55/1074693255.db2.gz	NHFATUUDQNFZKM-UHFFFAOYSA-N	1	1	409.288	1.859	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)nn1-c1cccc(Cl)c1	ZINC000470931064	1074705441	/nfs/dbraw/zinc/70/54/41/1074705441.db2.gz	MPFXJBOPGAFQHR-HNNXBMFYSA-N	1	1	419.913	1.688	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O	ZINC000675095520	1074707738	/nfs/dbraw/zinc/70/77/38/1074707738.db2.gz	QEWAQGVMYKXOOX-OALUTQOASA-N	1	1	413.522	1.577	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)nn1-c1ccc(F)cc1F	ZINC000554767469	1074713765	/nfs/dbraw/zinc/71/37/65/1074713765.db2.gz	YRVNIGPSPVGUIY-QGZVFWFLSA-N	1	1	405.449	2.196	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)nn1-c1ccc(F)cc1F	ZINC000554767469	1074713774	/nfs/dbraw/zinc/71/37/74/1074713774.db2.gz	YRVNIGPSPVGUIY-QGZVFWFLSA-N	1	1	405.449	2.196	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)nn1-c1ccc(F)cc1F	ZINC000570721696	1074713898	/nfs/dbraw/zinc/71/38/98/1074713898.db2.gz	OZUXQHAXZJGTRK-QGZVFWFLSA-N	1	1	405.449	2.196	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)nn1-c1ccc(F)cc1F	ZINC000570721696	1074713903	/nfs/dbraw/zinc/71/39/03/1074713903.db2.gz	OZUXQHAXZJGTRK-QGZVFWFLSA-N	1	1	405.449	2.196	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)nn1C1CCCCC1	ZINC000576436706	1074714532	/nfs/dbraw/zinc/71/45/32/1074714532.db2.gz	BMSLGGUEJIVBBU-MRXNPFEDSA-N	1	1	405.543	1.939	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)nn1C1CCCCC1	ZINC000576436706	1074714541	/nfs/dbraw/zinc/71/45/41/1074714541.db2.gz	BMSLGGUEJIVBBU-MRXNPFEDSA-N	1	1	405.543	1.939	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000675103585	1074719760	/nfs/dbraw/zinc/71/97/60/1074719760.db2.gz	XPZGRCWBCXGHSJ-SJORKVTESA-N	1	1	422.961	1.019	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C[N@@H+]1Cc1ccccc1	ZINC000675106249	1074721401	/nfs/dbraw/zinc/72/14/01/1074721401.db2.gz	PNIFNAYLEMCVJX-JMVFIXPQSA-N	1	1	410.522	1.876	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1	ZINC000675106251	1074721620	/nfs/dbraw/zinc/72/16/20/1074721620.db2.gz	PNIFNAYLEMCVJX-ZTRFORPCSA-N	1	1	410.522	1.876	20	0		HDADMO
O=C(NCCCCN1CC[NH+](CCO)CC1)Nc1cc(-c2cccc(F)c2)on1	ZINC000565815191	1074721966	/nfs/dbraw/zinc/72/19/66/1074721966.db2.gz	PFYNTBPPTOQWSK-UHFFFAOYSA-N	1	1	405.474	1.992	20	0		HDADMO
O=C(NCCCCN1CC[NH+](CCO)CC1)Nc1cc(-c2cccc(Cl)c2)on1	ZINC000557600248	1074722221	/nfs/dbraw/zinc/72/22/21/1074722221.db2.gz	FERMMANBRFUBJX-UHFFFAOYSA-N	1	1	421.929	2.507	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C[N@H+]1Cc1ccccc1	ZINC000675126845	1074731135	/nfs/dbraw/zinc/73/11/35/1074731135.db2.gz	PIVCMNYJMVODKQ-PBHICJAKSA-N	1	1	408.458	1.735	20	0		HDADMO
C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)c2)C[C@@H](C)O1	ZINC000675127255	1074734088	/nfs/dbraw/zinc/73/40/88/1074734088.db2.gz	CBUSNIUKQMFDSX-MTNOOBJLSA-N	1	1	403.523	1.902	20	0		HDADMO
COC(=O)COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2cccnc12	ZINC000429318958	1074734678	/nfs/dbraw/zinc/73/46/78/1074734678.db2.gz	PTIQNHACDLEBOT-AWEZNQCLSA-N	1	1	402.451	1.317	20	0		HDADMO
COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2cccnc12	ZINC000429318958	1074734682	/nfs/dbraw/zinc/73/46/82/1074734682.db2.gz	PTIQNHACDLEBOT-AWEZNQCLSA-N	1	1	402.451	1.317	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000675147314	1074744346	/nfs/dbraw/zinc/74/43/46/1074744346.db2.gz	RARIGLAKRFWASQ-RDJZCZTQSA-N	1	1	403.504	1.492	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)nn1C1CCCCC1	ZINC000571454383	1074746576	/nfs/dbraw/zinc/74/65/76/1074746576.db2.gz	HBQAABBZTBBHRO-UHFFFAOYSA-N	1	1	404.559	1.777	20	0		HDADMO
CC(C)(C)Oc1cccc(CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)n1	ZINC000675155388	1074747269	/nfs/dbraw/zinc/74/72/69/1074747269.db2.gz	OSIDCCJNGJAPHR-LJQANCHMSA-N	1	1	404.555	1.714	20	0		HDADMO
CC[C@H](C[NH+]1CCCC1)NC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000675186221	1074751812	/nfs/dbraw/zinc/75/18/12/1074751812.db2.gz	MHOATMAKNNVNAB-LJQANCHMSA-N	1	1	403.575	1.552	20	0		HDADMO
O=C(NCCNc1cc[nH+]c(N2CCOCC2)n1)c1cccc(Br)c1	ZINC000543693564	1074753454	/nfs/dbraw/zinc/75/34/54/1074753454.db2.gz	WAYNCRWSDVMGIL-UHFFFAOYSA-N	1	1	406.284	1.918	20	0		HDADMO
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000675219259	1074762827	/nfs/dbraw/zinc/76/28/27/1074762827.db2.gz	KICKEKNLWYYCNM-LJQANCHMSA-N	1	1	421.563	1.337	20	0		HDADMO
COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)c1	ZINC000675284980	1074788228	/nfs/dbraw/zinc/78/82/28/1074788228.db2.gz	INFFFHZPGDVRCV-CYBMUJFWSA-N	1	1	407.492	1.949	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](Cn1cccn1)c1ccccc1	ZINC000675297082	1074790884	/nfs/dbraw/zinc/79/08/84/1074790884.db2.gz	BUMAARBURUSGPF-IBGZPJMESA-N	1	1	413.503	1.809	20	0		HDADMO
Cc1cc(NC(=O)CC[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)no1	ZINC000426785059	1075094433	/nfs/dbraw/zinc/09/44/33/1075094433.db2.gz	OLAURDLIYQHUMN-HNNXBMFYSA-N	1	1	406.508	2.545	20	0		HDADMO
CC(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1	ZINC000467682753	1075102965	/nfs/dbraw/zinc/10/29/65/1075102965.db2.gz	RBIRXCWOERSLHR-MSOLQXFVSA-N	1	1	407.536	1.643	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)no1	ZINC000517745356	1075111133	/nfs/dbraw/zinc/11/11/33/1075111133.db2.gz	OWOSTLHEPQAUFT-BBWFWOEESA-N	1	1	420.558	1.615	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1	ZINC000670513302	1075116426	/nfs/dbraw/zinc/11/64/26/1075116426.db2.gz	NDVCRFYTEGHPMQ-AWEZNQCLSA-N	1	1	401.429	1.449	20	0		HDADMO
CCCN(CC(C)C)C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434846643	1075118639	/nfs/dbraw/zinc/11/86/39/1075118639.db2.gz	QWXHUZUTWUJSLC-UHFFFAOYSA-N	1	1	402.499	2.180	20	0		HDADMO
O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000675379814	1075119118	/nfs/dbraw/zinc/11/91/18/1075119118.db2.gz	PBOTVHODYOIKDV-XNJGSVPQSA-N	1	1	422.888	1.444	20	0		HDADMO
O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000675379807	1075119128	/nfs/dbraw/zinc/11/91/28/1075119128.db2.gz	PBOTVHODYOIKDV-IGCXYCKISA-N	1	1	422.888	1.444	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)C1	ZINC000675394631	1075124965	/nfs/dbraw/zinc/12/49/65/1075124965.db2.gz	KHOWTXJCFRCOKD-HKUYNNGSSA-N	1	1	413.522	1.904	20	0		HDADMO
O=C(Nc1ccccc1O[C@H]1CCOC1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000675402009	1075126706	/nfs/dbraw/zinc/12/67/06/1075126706.db2.gz	YAHSCNAHIAYUCX-MSOLQXFVSA-N	1	1	417.506	1.506	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)n1	ZINC000675403616	1075128969	/nfs/dbraw/zinc/12/89/69/1075128969.db2.gz	NCMGPWXFQFCEMU-ZWKOTPCHSA-N	1	1	412.538	1.431	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC2(CC1)OCc1ccccc12	ZINC000675423057	1075138839	/nfs/dbraw/zinc/13/88/39/1075138839.db2.gz	HCKUPBYPCXOHFD-FQEVSTJZSA-N	1	1	414.550	1.624	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCC(OCCCO)CC1	ZINC000670525223	1075146912	/nfs/dbraw/zinc/14/69/12/1075146912.db2.gz	KCEZGBQLEVCNCC-GOSISDBHSA-N	1	1	407.511	1.313	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000670525298	1075147078	/nfs/dbraw/zinc/14/70/78/1075147078.db2.gz	VBKHYLPJIFHVHV-ZWKOTPCHSA-N	1	1	411.506	1.713	20	0		HDADMO
Cn1nc(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c2ccccc21	ZINC000670526823	1075148866	/nfs/dbraw/zinc/14/88/66/1075148866.db2.gz	RHJHCCKVOXRDRL-UHFFFAOYSA-N	1	1	413.522	1.341	20	0		HDADMO
CN1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)Cc2ccccc21	ZINC000670526890	1075149321	/nfs/dbraw/zinc/14/93/21/1075149321.db2.gz	FDDZJUCABOLKFP-UHFFFAOYSA-N	1	1	414.550	1.616	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+](C)C2(CO)CCC2)cc1S(=O)(=O)N1CCCCC1	ZINC000429252209	1075149623	/nfs/dbraw/zinc/14/96/23/1075149623.db2.gz	DYTRQPOUYGRHCT-UHFFFAOYSA-N	1	1	409.552	1.955	20	0		HDADMO
Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000675458060	1075156667	/nfs/dbraw/zinc/15/66/67/1075156667.db2.gz	BWEBAUWJBAHQTF-MRXNPFEDSA-N	1	1	409.483	1.983	20	0		HDADMO
Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000675458060	1075156669	/nfs/dbraw/zinc/15/66/69/1075156669.db2.gz	BWEBAUWJBAHQTF-MRXNPFEDSA-N	1	1	409.483	1.983	20	0		HDADMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1	ZINC000675457947	1075156895	/nfs/dbraw/zinc/15/68/95/1075156895.db2.gz	BHHBZTYWKKIOKN-DYVFJYSZSA-N	1	1	424.904	1.501	20	0		HDADMO
O=C(Nc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000463992216	1075157296	/nfs/dbraw/zinc/15/72/96/1075157296.db2.gz	FMYDBZVSORHISS-IBGZPJMESA-N	1	1	405.458	2.016	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1-n1cnnn1	ZINC000466679337	1075158944	/nfs/dbraw/zinc/15/89/44/1075158944.db2.gz	BDJUEURVADNWCF-VQIMIIECSA-N	1	1	419.489	1.688	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)cc(OC)c1	ZINC000429348234	1075160723	/nfs/dbraw/zinc/16/07/23/1075160723.db2.gz	ZJHKGIMNXUKOEQ-SJORKVTESA-N	1	1	418.538	1.977	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)cc(OC)c1	ZINC000429348234	1075160726	/nfs/dbraw/zinc/16/07/26/1075160726.db2.gz	ZJHKGIMNXUKOEQ-SJORKVTESA-N	1	1	418.538	1.977	20	0		HDADMO
CN(C)c1ccc(-c2cncc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)c2)cc1	ZINC000675467496	1075166764	/nfs/dbraw/zinc/16/67/64/1075166764.db2.gz	XDEBZZRJFNABBE-JOCHJYFZSA-N	1	1	423.561	1.951	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+](C)C1(CO)CCC1	ZINC000429254019	1075167275	/nfs/dbraw/zinc/16/72/75/1075167275.db2.gz	CWQIYQVSKLPKNW-UHFFFAOYSA-N	1	1	422.551	1.424	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1	ZINC000042744210	1075168963	/nfs/dbraw/zinc/16/89/63/1075168963.db2.gz	OMABVLNKGADMGI-UHFFFAOYSA-N	1	1	411.858	1.384	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466681203	1075169081	/nfs/dbraw/zinc/16/90/81/1075169081.db2.gz	NJOLDLMVATZKMX-LPHOPBHVSA-N	1	1	421.501	1.934	20	0		HDADMO
COCCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1	ZINC000466680314	1075170356	/nfs/dbraw/zinc/17/03/56/1075170356.db2.gz	RFHBAWRUKQIANT-VQIMIIECSA-N	1	1	412.490	1.825	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000463975972	1075175720	/nfs/dbraw/zinc/17/57/20/1075175720.db2.gz	WINGWPDEHXZNAJ-CQSZACIVSA-N	1	1	411.384	1.589	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000463975971	1075175761	/nfs/dbraw/zinc/17/57/61/1075175761.db2.gz	WINGWPDEHXZNAJ-AWEZNQCLSA-N	1	1	411.384	1.589	20	0		HDADMO
CC[C@H](NC(=O)c1ccc(=O)n(CCOC)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675501077	1075179327	/nfs/dbraw/zinc/17/93/27/1075179327.db2.gz	WHLMMZQKSTTWEC-LEWJYISDSA-N	1	1	413.518	1.904	20	0		HDADMO
CC[C@H](NC(=O)c1ccc(=O)n(CCOC)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675501077	1075179332	/nfs/dbraw/zinc/17/93/32/1075179332.db2.gz	WHLMMZQKSTTWEC-LEWJYISDSA-N	1	1	413.518	1.904	20	0		HDADMO
COCCNc1nnc(S[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000571426242	1075180531	/nfs/dbraw/zinc/18/05/31/1075180531.db2.gz	OJAHJQBIJOQLJM-GDBMZVCRSA-N	1	1	421.592	2.468	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000546793219	1075185806	/nfs/dbraw/zinc/18/58/06/1075185806.db2.gz	FRTPTJIZJOMVQI-LJQANCHMSA-N	1	1	422.595	1.156	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1	ZINC000675532876	1075192820	/nfs/dbraw/zinc/19/28/20/1075192820.db2.gz	XXHCTLCKUQUFRV-MRXNPFEDSA-N	1	1	423.508	1.597	20	0		HDADMO
CS(=O)(=O)C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	ZINC000675533913	1075193139	/nfs/dbraw/zinc/19/31/39/1075193139.db2.gz	DIAZCRNJMSBYBK-UHFFFAOYSA-N	1	1	403.614	1.957	20	0		HDADMO
O=C(NCCOc1ccc(C(F)(F)F)cn1)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000675542960	1075198764	/nfs/dbraw/zinc/19/87/64/1075198764.db2.gz	JORCJWLQALIIND-OAHLLOKOSA-N	1	1	402.417	1.985	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1	ZINC000609559422	1075201128	/nfs/dbraw/zinc/20/11/28/1075201128.db2.gz	IWVXFEAWXSQDRC-WBVHZDCISA-N	1	1	423.583	1.670	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)no1	ZINC000609559422	1075201131	/nfs/dbraw/zinc/20/11/31/1075201131.db2.gz	IWVXFEAWXSQDRC-WBVHZDCISA-N	1	1	423.583	1.670	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[N@H+]1Cc1ccccc1	ZINC000466686411	1075205796	/nfs/dbraw/zinc/20/57/96/1075205796.db2.gz	MVNLZWNZWUCLQV-PBHICJAKSA-N	1	1	416.503	1.203	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[N@H+]1Cc1ccccc1	ZINC000466686413	1075205887	/nfs/dbraw/zinc/20/58/87/1075205887.db2.gz	MVNLZWNZWUCLQV-WMLDXEAASA-N	1	1	416.503	1.203	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)no1	ZINC000461561206	1075209985	/nfs/dbraw/zinc/20/99/85/1075209985.db2.gz	MMEXSARTNCPXFN-CVEARBPZSA-N	1	1	424.567	2.193	20	0		HDADMO
C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1nc(Cc2ccccc2)no1	ZINC000429360054	1075210923	/nfs/dbraw/zinc/21/09/23/1075210923.db2.gz	FCHKQIAHZXFCKU-ZBFHGGJFSA-N	1	1	400.483	1.360	20	0		HDADMO
CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675579658	1075211473	/nfs/dbraw/zinc/21/14/73/1075211473.db2.gz	QAWQMNLZNVPSHR-IBGZPJMESA-N	1	1	401.532	2.000	20	0		HDADMO
Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(-c2ccccn2)n1	ZINC000675581751	1075212536	/nfs/dbraw/zinc/21/25/36/1075212536.db2.gz	IQGSRZVDNSUWSK-SFHVURJKSA-N	1	1	412.494	1.134	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000675584578	1075214666	/nfs/dbraw/zinc/21/46/66/1075214666.db2.gz	BYFASJXXIXCNIN-MSOLQXFVSA-N	1	1	415.494	1.937	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(CC2CC2)c1)[NH+]1CCN(c2ccccc2)CC1	ZINC000675585863	1075215444	/nfs/dbraw/zinc/21/54/44/1075215444.db2.gz	GOTZUTKJOBXVSN-QGZVFWFLSA-N	1	1	410.522	1.559	20	0		HDADMO
CC[N@@H+](Cc1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1)C1CC1	ZINC000522689607	1075216928	/nfs/dbraw/zinc/21/69/28/1075216928.db2.gz	JJTMNMAYCXDIEU-UHFFFAOYSA-N	1	1	411.506	1.979	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1	ZINC000609559421	1075220516	/nfs/dbraw/zinc/22/05/16/1075220516.db2.gz	IWVXFEAWXSQDRC-RDJZCZTQSA-N	1	1	423.583	1.670	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)no1	ZINC000609559421	1075220519	/nfs/dbraw/zinc/22/05/19/1075220519.db2.gz	IWVXFEAWXSQDRC-RDJZCZTQSA-N	1	1	423.583	1.670	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1	ZINC000466690112	1075222943	/nfs/dbraw/zinc/22/29/43/1075222943.db2.gz	OTIITXYHKQCIAD-SFHVURJKSA-N	1	1	406.600	1.923	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1	ZINC000441692181	1075226568	/nfs/dbraw/zinc/22/65/68/1075226568.db2.gz	SMDNGDGJIXACOQ-CABCVRRESA-N	1	1	410.478	2.401	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000675587931	1075226665	/nfs/dbraw/zinc/22/66/65/1075226665.db2.gz	SQTVEZUNEKUZCK-FQEVSTJZSA-N	1	1	411.506	1.388	20	0		HDADMO
O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000675590728	1075229321	/nfs/dbraw/zinc/22/93/21/1075229321.db2.gz	ZHRJFFQQHJVLKR-QGZVFWFLSA-N	1	1	417.535	1.449	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[C@@H](C)C1	ZINC000675594053	1075231781	/nfs/dbraw/zinc/23/17/81/1075231781.db2.gz	NZSNYZYJTBDAGS-WDSOQIARSA-N	1	1	421.542	1.254	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)C1	ZINC000675593658	1075232243	/nfs/dbraw/zinc/23/22/43/1075232243.db2.gz	FVGJACQICQBGAV-FQEVSTJZSA-N	1	1	410.522	1.108	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)CC1	ZINC000466115446	1075232382	/nfs/dbraw/zinc/23/23/82/1075232382.db2.gz	LFDFDZUBQHWVSJ-MRXNPFEDSA-N	1	1	420.558	1.617	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)Cc1ccc(F)cc1	ZINC000675599002	1075236602	/nfs/dbraw/zinc/23/66/02/1075236602.db2.gz	RBGMZAVXTRGBGP-GOSISDBHSA-N	1	1	403.458	1.388	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C[N@H+]1Cc1ccccc1	ZINC000675598594	1075236798	/nfs/dbraw/zinc/23/67/98/1075236798.db2.gz	ZXJMDBUGSJIKDB-YVWKXTFCSA-N	1	1	411.506	1.780	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)C1	ZINC000429366871	1075242154	/nfs/dbraw/zinc/24/21/54/1075242154.db2.gz	MJGFLGZGFOGAJF-OTWHNJEPSA-N	1	1	410.603	1.427	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)n1	ZINC000441099189	1075245101	/nfs/dbraw/zinc/24/51/01/1075245101.db2.gz	DMSKRGSUCGODCF-KSZLIROESA-N	1	1	413.522	2.150	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)n1	ZINC000441099189	1075245104	/nfs/dbraw/zinc/24/51/04/1075245104.db2.gz	DMSKRGSUCGODCF-KSZLIROESA-N	1	1	413.522	2.150	20	0		HDADMO
COc1cccc(NC(=O)CN(C)C(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1	ZINC000429368446	1075245177	/nfs/dbraw/zinc/24/51/77/1075245177.db2.gz	QEJONNKXQQXXDJ-KRWDZBQOSA-N	1	1	402.539	1.898	20	0		HDADMO
CN(c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000675652703	1075247659	/nfs/dbraw/zinc/24/76/59/1075247659.db2.gz	SRWFCSGUEHVCCC-MOPGFXCFSA-N	1	1	424.567	1.525	20	0		HDADMO
CN(c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000675652711	1075247767	/nfs/dbraw/zinc/24/77/67/1075247767.db2.gz	SRWFCSGUEHVCCC-OALUTQOASA-N	1	1	424.567	1.525	20	0		HDADMO
NC(=O)C1(c2ccccc2)CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1	ZINC000675656348	1075249974	/nfs/dbraw/zinc/24/99/74/1075249974.db2.gz	UMNNHWSTUUTURG-UXHICEINSA-N	1	1	414.550	1.859	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H]1C[NH2+]Cc1nc2ccsc2c(=O)[nH]1	ZINC001034998256	1075252647	/nfs/dbraw/zinc/25/26/47/1075252647.db2.gz	SHCMURQOXKCYMZ-MTPJIJQVSA-N	1	1	400.504	1.901	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC[N@@H+]1CCO	ZINC000429371900	1075255771	/nfs/dbraw/zinc/25/57/71/1075255771.db2.gz	LEYSCSBINDPAJR-OAHLLOKOSA-N	1	1	404.511	1.988	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC[N@H+]1CCO	ZINC000429371900	1075255772	/nfs/dbraw/zinc/25/57/72/1075255772.db2.gz	LEYSCSBINDPAJR-OAHLLOKOSA-N	1	1	404.511	1.988	20	0		HDADMO
C[C@@H]1CN(CCCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@@H](C)O1	ZINC000543644282	1075263339	/nfs/dbraw/zinc/26/33/39/1075263339.db2.gz	IFNXMBRWLXKHMQ-WOJBJXKFSA-N	1	1	409.619	1.545	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000675795650	1075270172	/nfs/dbraw/zinc/27/01/72/1075270172.db2.gz	UPJIYQOFGAVIBQ-UHFFFAOYSA-N	1	1	415.582	1.259	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000675795650	1075270175	/nfs/dbraw/zinc/27/01/75/1075270175.db2.gz	UPJIYQOFGAVIBQ-UHFFFAOYSA-N	1	1	415.582	1.259	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000675795650	1075270178	/nfs/dbraw/zinc/27/01/78/1075270178.db2.gz	UPJIYQOFGAVIBQ-UHFFFAOYSA-N	1	1	415.582	1.259	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(Br)nc1	ZINC000766168476	1075271292	/nfs/dbraw/zinc/27/12/92/1075271292.db2.gz	LDZKMURRMXFAMQ-UHFFFAOYSA-N	1	1	420.315	1.968	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](CC4CC4)C3)n2)c1C	ZINC000489092153	1075278704	/nfs/dbraw/zinc/27/87/04/1075278704.db2.gz	DZJIYJNCAYFTAA-INIZCTEOSA-N	1	1	412.494	1.934	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@@H]3CCC(F)(F)C3)n2)c1C	ZINC000430344764	1075279942	/nfs/dbraw/zinc/27/99/42/1075279942.db2.gz	OZUMSAXWSXHYEA-CYBMUJFWSA-N	1	1	422.436	1.837	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1	ZINC000675837901	1075280763	/nfs/dbraw/zinc/28/07/63/1075280763.db2.gz	XTGQHZLTYWJHPT-LJQANCHMSA-N	1	1	413.522	1.579	20	0		HDADMO
COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC	ZINC001129089880	1075285174	/nfs/dbraw/zinc/28/51/74/1075285174.db2.gz	UBCJJMDUZCNRSO-MLOZMYIXSA-N	1	1	403.523	1.883	20	0		HDADMO
Cn1c(=O)c2ccc(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)nc2n(C)c1=O	ZINC001129097680	1075286474	/nfs/dbraw/zinc/28/64/74/1075286474.db2.gz	MLEXKXXNLGSQFA-UHFFFAOYSA-N	1	1	421.501	1.417	20	0		HDADMO
O=S(=O)(c1cccs1)N1CC[C@H](CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)C1	ZINC000584130768	1075286518	/nfs/dbraw/zinc/28/65/18/1075286518.db2.gz	OICUVSLOOFITAW-CABCVRRESA-N	1	1	423.564	2.252	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)COCc2nc3ccccc3s2)CC1	ZINC000675916347	1075290725	/nfs/dbraw/zinc/29/07/25/1075290725.db2.gz	GYDIZQNKGGULNM-MRXNPFEDSA-N	1	1	402.520	1.578	20	0		HDADMO
CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1	ZINC001129118996	1075294171	/nfs/dbraw/zinc/29/41/71/1075294171.db2.gz	WOHMVEFRVUDTJF-SXJNSPEGSA-N	1	1	403.527	1.106	20	0		HDADMO
CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1	ZINC001129118996	1075294177	/nfs/dbraw/zinc/29/41/77/1075294177.db2.gz	WOHMVEFRVUDTJF-SXJNSPEGSA-N	1	1	403.527	1.106	20	0		HDADMO
O=C(NCCc1c(Cl)cccc1Cl)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000479099378	1075296292	/nfs/dbraw/zinc/29/62/92/1075296292.db2.gz	WRVGCGKKOQOAPN-UHFFFAOYSA-N	1	1	414.333	1.975	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccn(C(C)C)n3)C2)cc(OC)c1	ZINC000484117140	1075300117	/nfs/dbraw/zinc/30/01/17/1075300117.db2.gz	RXEOICMYXCBRGG-MRXNPFEDSA-N	1	1	415.494	1.810	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccn(C(C)C)n3)C2)cc(OC)c1	ZINC000484117140	1075300126	/nfs/dbraw/zinc/30/01/26/1075300126.db2.gz	RXEOICMYXCBRGG-MRXNPFEDSA-N	1	1	415.494	1.810	20	0		HDADMO
CCOC(=O)c1ccc(C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)nc1C	ZINC000447702621	1075301339	/nfs/dbraw/zinc/30/13/39/1075301339.db2.gz	DILYMNVVDWXRGI-UHFFFAOYSA-N	1	1	424.461	2.479	20	0		HDADMO
Cc1ccc(NCCCNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)[nH+]c1	ZINC000530773442	1075307216	/nfs/dbraw/zinc/30/72/16/1075307216.db2.gz	LOEQPRUUUBJVJP-UHFFFAOYSA-N	1	1	416.547	1.852	20	0		HDADMO
Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O	ZINC000509375918	1075309618	/nfs/dbraw/zinc/30/96/18/1075309618.db2.gz	YOCSTKYBUZGUQG-HNNXBMFYSA-N	1	1	411.289	1.994	20	0		HDADMO
Cn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O	ZINC000509375918	1075309622	/nfs/dbraw/zinc/30/96/22/1075309622.db2.gz	YOCSTKYBUZGUQG-HNNXBMFYSA-N	1	1	411.289	1.994	20	0		HDADMO
O[C@@H](CNc1cc(NC[C@@H](O)[C@@H]2CCOC2)[nH+]c(-c2ccccc2)n1)[C@@H]1CCOC1	ZINC000553103401	1075310475	/nfs/dbraw/zinc/31/04/75/1075310475.db2.gz	KSLXGOHGANZCQN-MKXGPGLRSA-N	1	1	414.506	1.762	20	0		HDADMO
O[C@@H](CNc1cc(NC[C@@H](O)[C@@H]2CCOC2)nc(-c2ccccc2)[nH+]1)[C@@H]1CCOC1	ZINC000553103401	1075310483	/nfs/dbraw/zinc/31/04/83/1075310483.db2.gz	KSLXGOHGANZCQN-MKXGPGLRSA-N	1	1	414.506	1.762	20	0		HDADMO
O=c1[nH]c(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc2c1cnn2-c1ccccc1	ZINC000462858630	1075317729	/nfs/dbraw/zinc/31/77/29/1075317729.db2.gz	WXWUIFDYTOUQHH-HSZRJFAPSA-N	1	1	416.485	2.570	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(CN3C[C@H](c4cccc(F)c4)CC3=O)CC2)CC1	ZINC000731355614	1075319463	/nfs/dbraw/zinc/31/94/63/1075319463.db2.gz	CMLFHBZYCIWXOW-HXUWFJFHSA-N	1	1	416.541	1.975	20	0		HDADMO
CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1	ZINC000731359734	1075320609	/nfs/dbraw/zinc/32/06/09/1075320609.db2.gz	OGHSZFQLYJFTEM-UHFFFAOYSA-N	1	1	420.539	1.531	20	0		HDADMO
c1cc2c(NCc3nnc4n3CCC4)cc(NCc3nnc4n3CCC4)[nH+]c2cn1	ZINC000565379418	1075322646	/nfs/dbraw/zinc/32/26/46/1075322646.db2.gz	DYLKIMSFVYZTIY-UHFFFAOYSA-N	1	1	402.466	1.929	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCCN(C(=O)C2CCC2)C2CC2)cn1	ZINC000731409577	1075334648	/nfs/dbraw/zinc/33/46/48/1075334648.db2.gz	OVNUJGIEHHLQKN-UHFFFAOYSA-N	1	1	424.505	1.812	20	0		HDADMO
CCN1C(=S)N=NC1CCNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000731442436	1075339720	/nfs/dbraw/zinc/33/97/20/1075339720.db2.gz	JZUYKAVXKCGOKL-UHFFFAOYSA-N	1	1	406.531	1.840	20	0		HDADMO
O=C(NCCOc1cccnc1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000804077312	1075340941	/nfs/dbraw/zinc/34/09/41/1075340941.db2.gz	SRUJERGQWAKMHT-SFHVURJKSA-N	1	1	414.531	1.310	20	0		HDADMO
O=C(NCCOc1cccnc1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000804077312	1075340945	/nfs/dbraw/zinc/34/09/45/1075340945.db2.gz	SRUJERGQWAKMHT-SFHVURJKSA-N	1	1	414.531	1.310	20	0		HDADMO
CC(C)N1C(=S)N=NC1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000731447206	1075342792	/nfs/dbraw/zinc/34/27/92/1075342792.db2.gz	SYQVHZWRICRBEE-SFHVURJKSA-N	1	1	402.568	1.795	20	0		HDADMO
CCO[C@@H]1C[C@H](Nc2nc(N[C@@H]3C[C@H](OCC)[C@H]3OC)[nH+]c3c2SCC3)[C@@H]1OC	ZINC000579575088	1075355443	/nfs/dbraw/zinc/35/54/43/1075355443.db2.gz	OCHSGDLUBJVDTB-VBYGDGQVSA-N	1	1	424.567	2.333	20	0		HDADMO
C[C@@H](NC(=O)[C@@H](C)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1	ZINC000429396515	1075359156	/nfs/dbraw/zinc/35/91/56/1075359156.db2.gz	BQDOHNOTIVRCSL-GVDBMIGSSA-N	1	1	422.595	1.706	20	0		HDADMO
Cc1c(C(=O)N2CCC[C@H](C3OCCO3)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731474048	1075359587	/nfs/dbraw/zinc/35/95/87/1075359587.db2.gz	JOVXMSPWNKPLBR-KRWDZBQOSA-N	1	1	411.506	1.789	20	0		HDADMO
Cc1c(C(=O)N2CCC[C@@H](C3OCCO3)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731474049	1075359677	/nfs/dbraw/zinc/35/96/77/1075359677.db2.gz	JOVXMSPWNKPLBR-QGZVFWFLSA-N	1	1	411.506	1.789	20	0		HDADMO
Cc1c(C(=O)NCC2N=NC(=S)N2C2CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731475223	1075360604	/nfs/dbraw/zinc/36/06/04/1075360604.db2.gz	OFIJNBOLRHPLKK-UHFFFAOYSA-N	1	1	424.534	1.709	20	0		HDADMO
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1	ZINC000676097939	1075361296	/nfs/dbraw/zinc/36/12/96/1075361296.db2.gz	XVERZENRNVAQEN-FQEVSTJZSA-N	1	1	404.474	1.939	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1	ZINC000676097939	1075361301	/nfs/dbraw/zinc/36/13/01/1075361301.db2.gz	XVERZENRNVAQEN-FQEVSTJZSA-N	1	1	404.474	1.939	20	0		HDADMO
CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1	ZINC000676097998	1075361657	/nfs/dbraw/zinc/36/16/57/1075361657.db2.gz	WDLXDQYFGXTLSI-SFHVURJKSA-N	1	1	400.483	1.165	20	0		HDADMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804087320	1075378630	/nfs/dbraw/zinc/37/86/30/1075378630.db2.gz	FXGIQWBCIJJPSO-YESZJQIVSA-N	1	1	410.559	1.739	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21	ZINC000804089456	1075383476	/nfs/dbraw/zinc/38/34/76/1075383476.db2.gz	BDOHTNCLNLHUTC-BDXSIMOUSA-N	1	1	422.570	1.881	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804093453	1075393298	/nfs/dbraw/zinc/39/32/98/1075393298.db2.gz	NTPOAZHGEQSYIZ-YESZJQIVSA-N	1	1	410.559	1.929	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804093440	1075393317	/nfs/dbraw/zinc/39/33/17/1075393317.db2.gz	NTPOAZHGEQSYIZ-IXDOHACOSA-N	1	1	410.559	1.929	20	0		HDADMO
O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000731610064	1075399214	/nfs/dbraw/zinc/39/92/14/1075399214.db2.gz	DSLQEQQDXVVZCN-UHFFFAOYSA-N	1	1	400.454	1.556	20	0		HDADMO
C[C@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[N@H+](C2CCC2)C1	ZINC000429399319	1075407503	/nfs/dbraw/zinc/40/75/03/1075407503.db2.gz	BPGSFKKTHVZHQE-KRWDZBQOSA-N	1	1	404.580	1.839	20	0		HDADMO
Cc1nc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1	ZINC000731624079	1075418231	/nfs/dbraw/zinc/41/82/31/1075418231.db2.gz	QTWYVDMBOZELKF-UHFFFAOYSA-N	1	1	418.501	1.650	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000439420534	1075425975	/nfs/dbraw/zinc/42/59/75/1075425975.db2.gz	JPZANUJTTMNIEE-INIZCTEOSA-N	1	1	416.501	2.280	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1	ZINC000556528133	1075427460	/nfs/dbraw/zinc/42/74/60/1075427460.db2.gz	ZTCKGPSJHACCOO-SJKOYZFVSA-N	1	1	421.860	2.025	20	0		HDADMO
CCc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1	ZINC000731655238	1075439031	/nfs/dbraw/zinc/43/90/31/1075439031.db2.gz	DWZSCGLBPCHTRV-KRWDZBQOSA-N	1	1	400.523	1.271	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2nc(NCc3ccco3)ncc2Cl)CC1	ZINC000731655192	1075439110	/nfs/dbraw/zinc/43/91/10/1075439110.db2.gz	AKSZSAHDXXHURK-UHFFFAOYSA-N	1	1	420.901	1.618	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	ZINC000731655878	1075439879	/nfs/dbraw/zinc/43/98/79/1075439879.db2.gz	UMMXEIRFTVTDNN-UHFFFAOYSA-N	1	1	421.441	1.263	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676242997	1075444195	/nfs/dbraw/zinc/44/41/95/1075444195.db2.gz	QWUMELSMILAQBL-KFKAGJAMSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676242997	1075444197	/nfs/dbraw/zinc/44/41/97/1075444197.db2.gz	QWUMELSMILAQBL-KFKAGJAMSA-N	1	1	410.946	1.732	20	0		HDADMO
COc1cc(Br)c(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1OC	ZINC000676244125	1075445320	/nfs/dbraw/zinc/44/53/20/1075445320.db2.gz	PFMDKXHPZYPTNA-BDJLRTHQSA-N	1	1	416.316	1.985	20	0		HDADMO
COc1cc(Br)c(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OC	ZINC000676244125	1075445322	/nfs/dbraw/zinc/44/53/22/1075445322.db2.gz	PFMDKXHPZYPTNA-BDJLRTHQSA-N	1	1	416.316	1.985	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676243340	1075445937	/nfs/dbraw/zinc/44/59/37/1075445937.db2.gz	GAJNVVXMKGQEOA-KFKAGJAMSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676243340	1075445939	/nfs/dbraw/zinc/44/59/39/1075445939.db2.gz	GAJNVVXMKGQEOA-KFKAGJAMSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@@H]1CN(C)CCO1	ZINC000676245006	1075446449	/nfs/dbraw/zinc/44/64/49/1075446449.db2.gz	YMPMDHFDSYYHRJ-PXNSSMCTSA-N	1	1	423.989	1.870	20	0		HDADMO
C[C@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676244217	1075446523	/nfs/dbraw/zinc/44/65/23/1075446523.db2.gz	RVKGKECSFMYTMA-HNAYVOBHSA-N	1	1	405.495	1.482	20	0		HDADMO
C[C@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676244217	1075446524	/nfs/dbraw/zinc/44/65/24/1075446524.db2.gz	RVKGKECSFMYTMA-HNAYVOBHSA-N	1	1	405.495	1.482	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676247990	1075447757	/nfs/dbraw/zinc/44/77/57/1075447757.db2.gz	KCUAEMLDQYENRE-BEFAXECRSA-N	1	1	406.502	1.583	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676247990	1075447761	/nfs/dbraw/zinc/44/77/61/1075447761.db2.gz	KCUAEMLDQYENRE-BEFAXECRSA-N	1	1	406.502	1.583	20	0		HDADMO
CC(C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[NH+]1CCN(C)CC1	ZINC000731686843	1075450249	/nfs/dbraw/zinc/45/02/49/1075450249.db2.gz	BWBNFEFIXAKMQW-SFHVURJKSA-N	1	1	401.486	1.373	20	0		HDADMO
C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[N@H+](C)CCO1	ZINC000676258741	1075455277	/nfs/dbraw/zinc/45/52/77/1075455277.db2.gz	XUSGPTYOOIDRET-OXJNMPFZSA-N	1	1	423.579	1.459	20	0		HDADMO
C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[N@@H+](C)CCO1	ZINC000676258741	1075455283	/nfs/dbraw/zinc/45/52/83/1075455283.db2.gz	XUSGPTYOOIDRET-OXJNMPFZSA-N	1	1	423.579	1.459	20	0		HDADMO
C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@@H]1C[N@H+](C)CCO1	ZINC000676258527	1075455387	/nfs/dbraw/zinc/45/53/87/1075455387.db2.gz	CNNPOJWDMOEOOP-JXFKEZNVSA-N	1	1	406.486	1.894	20	0		HDADMO
C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258527	1075455393	/nfs/dbraw/zinc/45/53/93/1075455393.db2.gz	CNNPOJWDMOEOOP-JXFKEZNVSA-N	1	1	406.486	1.894	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)CCc1ccccc1F	ZINC000731670391	1075455481	/nfs/dbraw/zinc/45/54/81/1075455481.db2.gz	KRQAKMOMCLQVRB-AWEZNQCLSA-N	1	1	405.495	1.925	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)CCc1ccccc1F	ZINC000731670391	1075455485	/nfs/dbraw/zinc/45/54/85/1075455485.db2.gz	KRQAKMOMCLQVRB-AWEZNQCLSA-N	1	1	405.495	1.925	20	0		HDADMO
C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[N@H+](C)CCO1	ZINC000676258740	1075455444	/nfs/dbraw/zinc/45/54/44/1075455444.db2.gz	XUSGPTYOOIDRET-JXFKEZNVSA-N	1	1	423.579	1.459	20	0		HDADMO
C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258740	1075455447	/nfs/dbraw/zinc/45/54/47/1075455447.db2.gz	XUSGPTYOOIDRET-JXFKEZNVSA-N	1	1	423.579	1.459	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676258544	1075455879	/nfs/dbraw/zinc/45/58/79/1075455879.db2.gz	JFOBHCKFIHVZQO-HEHGZKQESA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258544	1075455886	/nfs/dbraw/zinc/45/58/86/1075455886.db2.gz	JFOBHCKFIHVZQO-HEHGZKQESA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676259385	1075457135	/nfs/dbraw/zinc/45/71/35/1075457135.db2.gz	LHUJRNZIGCHNIY-HDMKZQKVSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259385	1075457138	/nfs/dbraw/zinc/45/71/38/1075457138.db2.gz	LHUJRNZIGCHNIY-HDMKZQKVSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676261980	1075459221	/nfs/dbraw/zinc/45/92/21/1075459221.db2.gz	SXKGXIPJSNWRDU-APWZRJJASA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261980	1075459225	/nfs/dbraw/zinc/45/92/25/1075459225.db2.gz	SXKGXIPJSNWRDU-APWZRJJASA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676261982	1075459391	/nfs/dbraw/zinc/45/93/91/1075459391.db2.gz	SXKGXIPJSNWRDU-QFBILLFUSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676261982	1075459397	/nfs/dbraw/zinc/45/93/97/1075459397.db2.gz	SXKGXIPJSNWRDU-QFBILLFUSA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1CN(C)CCO1	ZINC000676262270	1075461614	/nfs/dbraw/zinc/46/16/14/1075461614.db2.gz	BUGRVMKSVKUMSV-UTKZUKDTSA-N	1	1	415.538	1.814	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262265	1075461791	/nfs/dbraw/zinc/46/17/91/1075461791.db2.gz	WXQAKHMQIQCFOP-VWYCJHECSA-N	1	1	404.330	1.464	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262265	1075461796	/nfs/dbraw/zinc/46/17/96/1075461796.db2.gz	WXQAKHMQIQCFOP-VWYCJHECSA-N	1	1	404.330	1.464	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)N1CCCCC1	ZINC000676262271	1075461839	/nfs/dbraw/zinc/46/18/39/1075461839.db2.gz	WYGNAARZBMRUPE-SJLPKXTDSA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)N1CCCCC1	ZINC000676262271	1075461844	/nfs/dbraw/zinc/46/18/44/1075461844.db2.gz	WYGNAARZBMRUPE-SJLPKXTDSA-N	1	1	409.552	1.619	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676263760	1075462429	/nfs/dbraw/zinc/46/24/29/1075462429.db2.gz	CBXHUXAKFMCMGN-SUMWQHHRSA-N	1	1	414.528	1.176	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676263760	1075462437	/nfs/dbraw/zinc/46/24/37/1075462437.db2.gz	CBXHUXAKFMCMGN-SUMWQHHRSA-N	1	1	414.528	1.176	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676263288	1075462710	/nfs/dbraw/zinc/46/27/10/1075462710.db2.gz	WVLJOHMIZZXPCU-JCGIZDLHSA-N	1	1	405.499	1.828	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676263288	1075462717	/nfs/dbraw/zinc/46/27/17/1075462717.db2.gz	WVLJOHMIZZXPCU-JCGIZDLHSA-N	1	1	405.499	1.828	20	0		HDADMO
Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1	ZINC000676264678	1075463258	/nfs/dbraw/zinc/46/32/58/1075463258.db2.gz	XLPRQDFFPUPIKH-PBHICJAKSA-N	1	1	410.540	1.585	20	0		HDADMO
Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1	ZINC000676264678	1075463264	/nfs/dbraw/zinc/46/32/64/1075463264.db2.gz	XLPRQDFFPUPIKH-PBHICJAKSA-N	1	1	410.540	1.585	20	0		HDADMO
COc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1-n1nnnc1C1CC1	ZINC000676265002	1075463415	/nfs/dbraw/zinc/46/34/15/1075463415.db2.gz	HICMIEQYINAKJO-SJCJKPOMSA-N	1	1	401.471	1.389	20	0		HDADMO
COc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1-n1nnnc1C1CC1	ZINC000676265002	1075463417	/nfs/dbraw/zinc/46/34/17/1075463417.db2.gz	HICMIEQYINAKJO-SJCJKPOMSA-N	1	1	401.471	1.389	20	0		HDADMO
Cc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676264712	1075463816	/nfs/dbraw/zinc/46/38/16/1075463816.db2.gz	YPYSIXFPOSKWMP-GDBMZVCRSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676264712	1075463819	/nfs/dbraw/zinc/46/38/19/1075463819.db2.gz	YPYSIXFPOSKWMP-GDBMZVCRSA-N	1	1	412.556	1.912	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676249103	1075465237	/nfs/dbraw/zinc/46/52/37/1075465237.db2.gz	LTKQCCHMWYCAKA-QMTMVMCOSA-N	1	1	404.511	1.423	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676249103	1075465245	/nfs/dbraw/zinc/46/52/45/1075465245.db2.gz	LTKQCCHMWYCAKA-QMTMVMCOSA-N	1	1	404.511	1.423	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676248318	1075465980	/nfs/dbraw/zinc/46/59/80/1075465980.db2.gz	CASFSCKSASTWRD-IUODEOHRSA-N	1	1	400.321	1.711	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248318	1075465981	/nfs/dbraw/zinc/46/59/81/1075465981.db2.gz	CASFSCKSASTWRD-IUODEOHRSA-N	1	1	400.321	1.711	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676250637	1075467893	/nfs/dbraw/zinc/46/78/93/1075467893.db2.gz	HLMJZTIMDXWOQP-VQIMIIECSA-N	1	1	406.502	1.331	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250637	1075467896	/nfs/dbraw/zinc/46/78/96/1075467896.db2.gz	HLMJZTIMDXWOQP-VQIMIIECSA-N	1	1	406.502	1.331	20	0		HDADMO
C[C@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250485	1075468436	/nfs/dbraw/zinc/46/84/36/1075468436.db2.gz	ZFDSUJWDONZFHY-YJBOKZPZSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250485	1075468438	/nfs/dbraw/zinc/46/84/38/1075468438.db2.gz	ZFDSUJWDONZFHY-YJBOKZPZSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@H]1C[N@H+](C)CCO1	ZINC000676251961	1075468477	/nfs/dbraw/zinc/46/84/77/1075468477.db2.gz	SQSQEIPDCVWMMZ-IINYFYTJSA-N	1	1	400.273	1.696	20	0		HDADMO
C[C@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@H]1C[N@@H+](C)CCO1	ZINC000676251961	1075468479	/nfs/dbraw/zinc/46/84/79/1075468479.db2.gz	SQSQEIPDCVWMMZ-IINYFYTJSA-N	1	1	400.273	1.696	20	0		HDADMO
C[C@@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@H]1C[N@H+](C)CCO1	ZINC000676251962	1075468518	/nfs/dbraw/zinc/46/85/18/1075468518.db2.gz	SQSQEIPDCVWMMZ-QMTHXVAHSA-N	1	1	400.273	1.696	20	0		HDADMO
C[C@@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@H]1C[N@@H+](C)CCO1	ZINC000676251962	1075468519	/nfs/dbraw/zinc/46/85/19/1075468519.db2.gz	SQSQEIPDCVWMMZ-QMTHXVAHSA-N	1	1	400.273	1.696	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251906	1075468524	/nfs/dbraw/zinc/46/85/24/1075468524.db2.gz	SFFLRMZYRGWHTM-IFXJQAMLSA-N	1	1	418.494	1.495	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251906	1075468525	/nfs/dbraw/zinc/46/85/25/1075468525.db2.gz	SFFLRMZYRGWHTM-IFXJQAMLSA-N	1	1	418.494	1.495	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251506	1075469072	/nfs/dbraw/zinc/46/90/72/1075469072.db2.gz	NIHFVINEKCNBCN-HIFRSBDPSA-N	1	1	412.332	1.395	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251506	1075469074	/nfs/dbraw/zinc/46/90/74/1075469074.db2.gz	NIHFVINEKCNBCN-HIFRSBDPSA-N	1	1	412.332	1.395	20	0		HDADMO
CC[C@H](NC(=O)N1CCN2CCOC[C@@H]2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543666711	1075469310	/nfs/dbraw/zinc/46/93/10/1075469310.db2.gz	BQNJMRXCARVGAL-ACRUOGEOSA-N	1	1	402.539	1.392	20	0		HDADMO
CC[C@H](NC(=O)N1CCN2CCOC[C@@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543666711	1075469312	/nfs/dbraw/zinc/46/93/12/1075469312.db2.gz	BQNJMRXCARVGAL-ACRUOGEOSA-N	1	1	402.539	1.392	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C1CC1	ZINC000804221223	1075469886	/nfs/dbraw/zinc/46/98/86/1075469886.db2.gz	KADKVAJMLQMVQU-MRXNPFEDSA-N	1	1	410.559	1.692	20	0		HDADMO
CCOCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1C	ZINC000676278147	1075476202	/nfs/dbraw/zinc/47/62/02/1075476202.db2.gz	FDLOQDPPLXZINV-QFBILLFUSA-N	1	1	407.511	1.322	20	0		HDADMO
CCOCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1C	ZINC000676278147	1075476208	/nfs/dbraw/zinc/47/62/08/1075476208.db2.gz	FDLOQDPPLXZINV-QFBILLFUSA-N	1	1	407.511	1.322	20	0		HDADMO
COC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1	ZINC000429414984	1075476997	/nfs/dbraw/zinc/47/69/97/1075476997.db2.gz	GYYWIWCXEOVHLJ-CYBMUJFWSA-N	1	1	402.900	1.469	20	0		HDADMO
COCCC[N@H+](C)CCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766171860	1075479003	/nfs/dbraw/zinc/47/90/03/1075479003.db2.gz	BQYDYPANXRLUOF-HNNXBMFYSA-N	1	1	421.585	1.031	20	0		HDADMO
COCCC[N@@H+](C)CCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766171860	1075479008	/nfs/dbraw/zinc/47/90/08/1075479008.db2.gz	BQYDYPANXRLUOF-HNNXBMFYSA-N	1	1	421.585	1.031	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676278970	1075479240	/nfs/dbraw/zinc/47/92/40/1075479240.db2.gz	LCXBVRSVUZKSJJ-RNCFNFMXSA-N	1	1	423.363	1.663	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278970	1075479243	/nfs/dbraw/zinc/47/92/43/1075479243.db2.gz	LCXBVRSVUZKSJJ-RNCFNFMXSA-N	1	1	423.363	1.663	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OC1CCOCC1	ZINC000676280847	1075485374	/nfs/dbraw/zinc/48/53/74/1075485374.db2.gz	UDDZOFZNSDMYDJ-BEFAXECRSA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OC1CCOCC1	ZINC000676280847	1075485380	/nfs/dbraw/zinc/48/53/80/1075485380.db2.gz	UDDZOFZNSDMYDJ-BEFAXECRSA-N	1	1	405.495	1.327	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676280357	1075487150	/nfs/dbraw/zinc/48/71/50/1075487150.db2.gz	SAMCLJOVCJBSDG-MFKMUULPSA-N	1	1	405.442	1.957	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280357	1075487155	/nfs/dbraw/zinc/48/71/55/1075487155.db2.gz	SAMCLJOVCJBSDG-MFKMUULPSA-N	1	1	405.442	1.957	20	0		HDADMO
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676282063	1075487762	/nfs/dbraw/zinc/48/77/62/1075487762.db2.gz	QSCFNIACZOJMGA-HNAYVOBHSA-N	1	1	416.522	1.441	20	0		HDADMO
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676282063	1075487766	/nfs/dbraw/zinc/48/77/66/1075487766.db2.gz	QSCFNIACZOJMGA-HNAYVOBHSA-N	1	1	416.522	1.441	20	0		HDADMO
Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676281569	1075488827	/nfs/dbraw/zinc/48/88/27/1075488827.db2.gz	NVPLBWWWSIWCNF-RHSMWYFYSA-N	1	1	415.519	1.710	20	0		HDADMO
Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676281569	1075488828	/nfs/dbraw/zinc/48/88/28/1075488828.db2.gz	NVPLBWWWSIWCNF-RHSMWYFYSA-N	1	1	415.519	1.710	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676281607	1075488852	/nfs/dbraw/zinc/48/88/52/1075488852.db2.gz	ZDRRTOHBSLSSKN-IAQYHMDHSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676281607	1075488854	/nfs/dbraw/zinc/48/88/54/1075488854.db2.gz	ZDRRTOHBSLSSKN-IAQYHMDHSA-N	1	1	403.401	1.878	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676282261	1075489630	/nfs/dbraw/zinc/48/96/30/1075489630.db2.gz	ZTHDGWKNMRJHKB-HNAYVOBHSA-N	1	1	416.522	1.979	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676282261	1075489631	/nfs/dbraw/zinc/48/96/31/1075489631.db2.gz	ZTHDGWKNMRJHKB-HNAYVOBHSA-N	1	1	416.522	1.979	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@@H]1C[N@H+](C)CCO1	ZINC000676282795	1075489899	/nfs/dbraw/zinc/48/98/99/1075489899.db2.gz	VQANURXLKJBNHN-YEWWUXTCSA-N	1	1	409.458	1.157	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282795	1075489902	/nfs/dbraw/zinc/48/99/02/1075489902.db2.gz	VQANURXLKJBNHN-YEWWUXTCSA-N	1	1	409.458	1.157	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1C[N@H+](C)CCO1	ZINC000676283338	1075490323	/nfs/dbraw/zinc/49/03/23/1075490323.db2.gz	YTFMLKBXLZKBQC-KDOFPFPSSA-N	1	1	403.479	1.892	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676283338	1075490326	/nfs/dbraw/zinc/49/03/26/1075490326.db2.gz	YTFMLKBXLZKBQC-KDOFPFPSSA-N	1	1	403.479	1.892	20	0		HDADMO
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000731719729	1075492591	/nfs/dbraw/zinc/49/25/91/1075492591.db2.gz	WYLFWUDWTAYZIO-UHFFFAOYSA-N	1	1	419.489	1.881	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1	ZINC000676307439	1075493118	/nfs/dbraw/zinc/49/31/18/1075493118.db2.gz	PLJXRZFGZPFRJY-CTNGQTDRSA-N	1	1	403.571	1.165	20	0		HDADMO
COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1	ZINC000429417686	1075493894	/nfs/dbraw/zinc/49/38/94/1075493894.db2.gz	ODJOJLOBEYAFNO-AWEZNQCLSA-N	1	1	412.533	1.605	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1=O	ZINC000466726076	1075493952	/nfs/dbraw/zinc/49/39/52/1075493952.db2.gz	DMBSZIQIWCCHAU-PBHICJAKSA-N	1	1	407.536	1.825	20	0		HDADMO
COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676289591	1075494438	/nfs/dbraw/zinc/49/44/38/1075494438.db2.gz	GFZCUSGRIZYQBQ-DYVFJYSZSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676289591	1075494442	/nfs/dbraw/zinc/49/44/42/1075494442.db2.gz	GFZCUSGRIZYQBQ-DYVFJYSZSA-N	1	1	405.524	1.512	20	0		HDADMO
Cc1nc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)sc1S(N)(=O)=O	ZINC000558756817	1075494706	/nfs/dbraw/zinc/49/47/06/1075494706.db2.gz	OODRCAHRFCTDQB-INIZCTEOSA-N	1	1	409.581	1.890	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676294066	1075497324	/nfs/dbraw/zinc/49/73/24/1075497324.db2.gz	VVYNLPACPLHLKW-ZYSHUDEJSA-N	1	1	404.511	1.114	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676294066	1075497327	/nfs/dbraw/zinc/49/73/27/1075497327.db2.gz	VVYNLPACPLHLKW-ZYSHUDEJSA-N	1	1	404.511	1.114	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000676299677	1075501029	/nfs/dbraw/zinc/50/10/29/1075501029.db2.gz	OSIDISNTZDVYTM-NGRWLJPCSA-N	1	1	415.582	1.558	20	0		HDADMO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676303594	1075502322	/nfs/dbraw/zinc/50/23/22/1075502322.db2.gz	FHZYZKOUBJAXHV-GGPKGHCWSA-N	1	1	418.538	1.335	20	0		HDADMO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676303594	1075502325	/nfs/dbraw/zinc/50/23/25/1075502325.db2.gz	FHZYZKOUBJAXHV-GGPKGHCWSA-N	1	1	418.538	1.335	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccn([C@H](C)COC)n2)CC[N@@H+]1Cc1ccccc1	ZINC000426975505	1075504586	/nfs/dbraw/zinc/50/45/86/1075504586.db2.gz	TTZVIYHYSLNOFR-MJGOQNOKSA-N	1	1	413.522	2.152	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccn([C@H](C)COC)n2)CC[N@H+]1Cc1ccccc1	ZINC000426975505	1075504589	/nfs/dbraw/zinc/50/45/89/1075504589.db2.gz	TTZVIYHYSLNOFR-MJGOQNOKSA-N	1	1	413.522	2.152	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1	ZINC000543669892	1075510457	/nfs/dbraw/zinc/51/04/57/1075510457.db2.gz	LMFKADVDVGZZRN-ZCNNSNEGSA-N	1	1	418.513	1.994	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1	ZINC000676336489	1075511298	/nfs/dbraw/zinc/51/12/98/1075511298.db2.gz	RGQUAZIVGZRSHA-STQMWFEESA-N	1	1	407.458	1.830	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000731754702	1075511884	/nfs/dbraw/zinc/51/18/84/1075511884.db2.gz	AHUBOKSWIZLKOA-CABCVRRESA-N	1	1	412.487	1.350	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1	ZINC000731761017	1075515655	/nfs/dbraw/zinc/51/56/55/1075515655.db2.gz	NQOVRPUOHYCCJN-UHFFFAOYSA-N	1	1	416.632	1.649	20	0		HDADMO
COc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000429426639	1075518662	/nfs/dbraw/zinc/51/86/62/1075518662.db2.gz	PXBXHXWZNFJSCK-ZDUSSCGKSA-N	1	1	419.341	1.801	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1	ZINC000804221890	1075519402	/nfs/dbraw/zinc/51/94/02/1075519402.db2.gz	XMFLWGXPGBCDEU-INIZCTEOSA-N	1	1	412.575	1.938	20	0		HDADMO
C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@H]1C[N@H+](C)CCO1	ZINC000676346593	1075519879	/nfs/dbraw/zinc/51/98/79/1075519879.db2.gz	BHPZEDRYCJPRHU-MLGOLLRUSA-N	1	1	404.492	1.479	20	0		HDADMO
C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@H]1C[N@@H+](C)CCO1	ZINC000676346593	1075519882	/nfs/dbraw/zinc/51/98/82/1075519882.db2.gz	BHPZEDRYCJPRHU-MLGOLLRUSA-N	1	1	404.492	1.479	20	0		HDADMO
C[C@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@H]1C[N@H+](C)CCO1	ZINC000676332087	1075521710	/nfs/dbraw/zinc/52/17/10/1075521710.db2.gz	BDGBXASKJVZEAB-QFBILLFUSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676332087	1075521713	/nfs/dbraw/zinc/52/17/13/1075521713.db2.gz	BDGBXASKJVZEAB-QFBILLFUSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676332833	1075522494	/nfs/dbraw/zinc/52/24/94/1075522494.db2.gz	TYLKYPPGRATMHP-LIRRHRJNSA-N	1	1	408.458	1.327	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332833	1075522505	/nfs/dbraw/zinc/52/25/05/1075522505.db2.gz	TYLKYPPGRATMHP-LIRRHRJNSA-N	1	1	408.458	1.327	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc(C3CC3)nc21	ZINC000676332868	1075522525	/nfs/dbraw/zinc/52/25/25/1075522525.db2.gz	UMTYVXCEYKRSIA-BLLLJJGKSA-N	1	1	415.494	1.233	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc(C3CC3)nc21	ZINC000676332868	1075522533	/nfs/dbraw/zinc/52/25/33/1075522533.db2.gz	UMTYVXCEYKRSIA-BLLLJJGKSA-N	1	1	415.494	1.233	20	0		HDADMO
CC(C)(CO)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000676362658	1075524916	/nfs/dbraw/zinc/52/49/16/1075524916.db2.gz	MAAIXRLKMIKBJT-UHFFFAOYSA-N	1	1	402.495	1.047	20	0		HDADMO
CC(C)(O)[C@H]1CCCN1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000543671942	1075527680	/nfs/dbraw/zinc/52/76/80/1075527680.db2.gz	DWVAMOLFWIRALN-RTBURBONSA-N	1	1	402.539	1.829	20	0		HDADMO
C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000731843798	1075529658	/nfs/dbraw/zinc/52/96/58/1075529658.db2.gz	YJOMVTUFFDMLMX-WBVHZDCISA-N	1	1	400.527	1.697	20	0		HDADMO
C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000731843796	1075529688	/nfs/dbraw/zinc/52/96/88/1075529688.db2.gz	YJOMVTUFFDMLMX-RDJZCZTQSA-N	1	1	400.527	1.697	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N[C@H](CO)C(C)(C)C)cc1	ZINC000676377206	1075537109	/nfs/dbraw/zinc/53/71/09/1075537109.db2.gz	VBNACQRVGOPCPF-GOSISDBHSA-N	1	1	405.543	1.425	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(-c2ccc3c(c2)CCO3)no1	ZINC000676380226	1075538156	/nfs/dbraw/zinc/53/81/56/1075538156.db2.gz	IHCUBVOSEBHOSD-SFHVURJKSA-N	1	1	412.490	1.413	20	0		HDADMO
O=C(Cc1cc(F)ccc1Br)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676380859	1075539031	/nfs/dbraw/zinc/53/90/31/1075539031.db2.gz	XXJWJKRPMQDVPD-INIZCTEOSA-N	1	1	414.319	1.653	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC(C)(C)COc1ncccc1C(F)(F)F	ZINC000543672792	1075539444	/nfs/dbraw/zinc/53/94/44/1075539444.db2.gz	KHUCPYACTRXAGF-CYBMUJFWSA-N	1	1	403.449	1.803	20	0		HDADMO
O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000676392718	1075541219	/nfs/dbraw/zinc/54/12/19/1075541219.db2.gz	HCPBGVDQYFRKSG-LJQANCHMSA-N	1	1	406.548	1.709	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1	ZINC000731837904	1075544766	/nfs/dbraw/zinc/54/47/66/1075544766.db2.gz	PITTUSNKVXXSAD-UHFFFAOYSA-N	1	1	422.529	1.752	20	0		HDADMO
CN(C)C(=O)Nc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1	ZINC000676426178	1075546847	/nfs/dbraw/zinc/54/68/47/1075546847.db2.gz	BKBXRJSZKSFNFW-INIZCTEOSA-N	1	1	423.945	1.570	20	0		HDADMO
Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cnn1-c1ccccc1	ZINC000676451801	1075557555	/nfs/dbraw/zinc/55/75/55/1075557555.db2.gz	NFWKRZUJXCREJF-LJQANCHMSA-N	1	1	411.506	1.833	20	0		HDADMO
CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1	ZINC000731867639	1075558801	/nfs/dbraw/zinc/55/88/01/1075558801.db2.gz	YFIWZIZIBRRVET-QGZVFWFLSA-N	1	1	416.975	1.674	20	0		HDADMO
Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c(C)s1	ZINC000676479287	1075565863	/nfs/dbraw/zinc/56/58/63/1075565863.db2.gz	TUHZRPFXKMJOGT-KRWDZBQOSA-N	1	1	422.576	1.819	20	0		HDADMO
Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c(C)s1	ZINC000676479287	1075565870	/nfs/dbraw/zinc/56/58/70/1075565870.db2.gz	TUHZRPFXKMJOGT-KRWDZBQOSA-N	1	1	422.576	1.819	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1	ZINC000676501184	1075569826	/nfs/dbraw/zinc/56/98/26/1075569826.db2.gz	PIQANGCQKRITBW-HIFRSBDPSA-N	1	1	405.465	1.007	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1	ZINC000676501184	1075569831	/nfs/dbraw/zinc/56/98/31/1075569831.db2.gz	PIQANGCQKRITBW-HIFRSBDPSA-N	1	1	405.465	1.007	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000731919588	1075570879	/nfs/dbraw/zinc/57/08/79/1075570879.db2.gz	VZYYUZOHZRAWLJ-UHFFFAOYSA-N	1	1	412.508	1.369	20	0		HDADMO
CN(C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000731952294	1075573476	/nfs/dbraw/zinc/57/34/76/1075573476.db2.gz	RSEPZQWDDJGIHP-KRWDZBQOSA-N	1	1	424.592	1.573	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1nc2ccccc2s1	ZINC000804165618	1075573544	/nfs/dbraw/zinc/57/35/44/1075573544.db2.gz	DRJOPTGINDQIMY-CVEARBPZSA-N	1	1	415.563	1.712	20	0		HDADMO
CN(C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000731952295	1075573575	/nfs/dbraw/zinc/57/35/75/1075573575.db2.gz	RSEPZQWDDJGIHP-QGZVFWFLSA-N	1	1	424.592	1.573	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)CCO2	ZINC000676522962	1075574397	/nfs/dbraw/zinc/57/43/97/1075574397.db2.gz	SKHWHSJRLMZPOM-YJBOKZPZSA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)CCO2	ZINC000676522962	1075574401	/nfs/dbraw/zinc/57/44/01/1075574401.db2.gz	SKHWHSJRLMZPOM-YJBOKZPZSA-N	1	1	419.522	1.329	20	0		HDADMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000509417754	1075574855	/nfs/dbraw/zinc/57/48/55/1075574855.db2.gz	QUSQZRGYRZDZHT-HOTGVXAUSA-N	1	1	408.568	1.241	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccccc1N1CCOC1=O	ZINC000731984251	1075576507	/nfs/dbraw/zinc/57/65/07/1075576507.db2.gz	ZQGQWIQFRXBFST-SFHVURJKSA-N	1	1	416.478	1.295	20	0		HDADMO
CCCNC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000731961078	1075577055	/nfs/dbraw/zinc/57/70/55/1075577055.db2.gz	ZSCYPGFIQYXZNY-LJQANCHMSA-N	1	1	416.522	1.478	20	0		HDADMO
CC(C)[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000509419704	1075580128	/nfs/dbraw/zinc/58/01/28/1075580128.db2.gz	CVKAGBQZZMRAKR-OXJNMPFZSA-N	1	1	404.559	1.588	20	0		HDADMO
Cc1onc(NC(=O)C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C	ZINC000559520008	1075581560	/nfs/dbraw/zinc/58/15/60/1075581560.db2.gz	FKWFKUWKYFWLLN-OKILXGFUSA-N	1	1	400.479	2.156	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000731978268	1075582033	/nfs/dbraw/zinc/58/20/33/1075582033.db2.gz	GDLAZMOZOHJSCY-IHHMQQGQSA-N	1	1	407.474	1.543	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000731978268	1075582039	/nfs/dbraw/zinc/58/20/39/1075582039.db2.gz	GDLAZMOZOHJSCY-IHHMQQGQSA-N	1	1	407.474	1.543	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000676555944	1075588710	/nfs/dbraw/zinc/58/87/10/1075588710.db2.gz	LPMTZGQVLWZDME-MNEFBYGVSA-N	1	1	401.511	1.476	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@@H+]1CCc2ccccc2C1	ZINC000676545418	1075590347	/nfs/dbraw/zinc/59/03/47/1075590347.db2.gz	HJKVOVSHOQQBSK-KRWDZBQOSA-N	1	1	418.501	1.828	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@H+]1CCc2ccccc2C1	ZINC000676545418	1075590352	/nfs/dbraw/zinc/59/03/52/1075590352.db2.gz	HJKVOVSHOQQBSK-KRWDZBQOSA-N	1	1	418.501	1.828	20	0		HDADMO
Cn1c2cc(F)ccc2[nH+]c1NCc1ccccc1S(=O)(=O)N1CCOCC1	ZINC000464357351	1075594558	/nfs/dbraw/zinc/59/45/58/1075594558.db2.gz	SXWSZMYUTDCDCQ-UHFFFAOYSA-N	1	1	404.467	2.345	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC(C3OCCO3)CC2)[NH+]2CCCC2)o1	ZINC000804176618	1075608486	/nfs/dbraw/zinc/60/84/86/1075608486.db2.gz	RDLMMOVVDMHKBU-QGZVFWFLSA-N	1	1	405.495	1.453	20	0		HDADMO
C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C[C@H]1C	ZINC000543680498	1075609898	/nfs/dbraw/zinc/60/98/98/1075609898.db2.gz	QIXPXDKKBHZQOA-MRLCAUJQSA-N	1	1	412.600	1.217	20	0		HDADMO
Cn1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)n1	ZINC000475466765	1075610728	/nfs/dbraw/zinc/61/07/28/1075610728.db2.gz	NDAFZUYMUQNAQR-UHFFFAOYSA-N	1	1	420.311	1.902	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CC[N@@H+]1CCO	ZINC000429140048	1075611731	/nfs/dbraw/zinc/61/17/31/1075611731.db2.gz	HNJJDRSXUSGRLU-XXWNAHEMSA-N	1	1	405.568	2.536	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CC[N@H+]1CCO	ZINC000429140048	1075611735	/nfs/dbraw/zinc/61/17/35/1075611735.db2.gz	HNJJDRSXUSGRLU-XXWNAHEMSA-N	1	1	405.568	2.536	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1C	ZINC000676594246	1075612839	/nfs/dbraw/zinc/61/28/39/1075612839.db2.gz	XQWWNKGWZHJTSR-GDBMZVCRSA-N	1	1	406.493	1.708	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)C1	ZINC000676611340	1075614696	/nfs/dbraw/zinc/61/46/96/1075614696.db2.gz	PGPDTLZYVKSZAU-QGZVFWFLSA-N	1	1	422.576	1.942	20	0		HDADMO
CN(C)c1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)nc2ccccc21	ZINC000579894877	1075615790	/nfs/dbraw/zinc/61/57/90/1075615790.db2.gz	UFICWXKEPIZVMX-OAHLLOKOSA-N	1	1	421.505	1.725	20	0		HDADMO
CN(C)c1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)nc2ccccc21	ZINC000579894877	1075615792	/nfs/dbraw/zinc/61/57/92/1075615792.db2.gz	UFICWXKEPIZVMX-OAHLLOKOSA-N	1	1	421.505	1.725	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1	ZINC000804181329	1075620267	/nfs/dbraw/zinc/62/02/67/1075620267.db2.gz	HZTFDAQWDUPCSA-SJLPKXTDSA-N	1	1	418.538	1.749	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1	ZINC000804181330	1075620274	/nfs/dbraw/zinc/62/02/74/1075620274.db2.gz	HZTFDAQWDUPCSA-WMZOPIPTSA-N	1	1	418.538	1.749	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CCOCC1	ZINC000676622378	1075620546	/nfs/dbraw/zinc/62/05/46/1075620546.db2.gz	YGARODDQYJTRJI-IAGOWNOFSA-N	1	1	419.522	1.546	20	0		HDADMO
CN(CCC1CC1)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000676621688	1075621056	/nfs/dbraw/zinc/62/10/56/1075621056.db2.gz	DAJHOJKPSHLXLL-UHFFFAOYSA-N	1	1	415.538	1.094	20	0		HDADMO
CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1	ZINC000732126949	1075630331	/nfs/dbraw/zinc/63/03/31/1075630331.db2.gz	AYKQWSPJUVOBKE-VQFGERMISA-N	1	1	407.536	1.785	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000804221465	1075644474	/nfs/dbraw/zinc/64/44/74/1075644474.db2.gz	WPZYUTJQGAMTOK-ZACQAIPSSA-N	1	1	410.559	1.833	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000732139900	1075647214	/nfs/dbraw/zinc/64/72/14/1075647214.db2.gz	VKOCUBUFEBSAPX-KRWDZBQOSA-N	1	1	418.563	1.838	20	0		HDADMO
O=C([C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)C1)N1CCCC1	ZINC000732190599	1075655428	/nfs/dbraw/zinc/65/54/28/1075655428.db2.gz	KUVWBGSXCCBSEU-XXBNENTESA-N	1	1	410.518	1.758	20	0		HDADMO
O=C([C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)C1)N1CCCC1	ZINC000732190599	1075655430	/nfs/dbraw/zinc/65/54/30/1075655430.db2.gz	KUVWBGSXCCBSEU-XXBNENTESA-N	1	1	410.518	1.758	20	0		HDADMO
CN(Cn1nc(CCC(N)=O)n(C[C@H]2CCCO2)c1=S)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732190075	1075655740	/nfs/dbraw/zinc/65/57/40/1075655740.db2.gz	WJDXGDNJNSHEKA-HZPDHXFCSA-N	1	1	408.572	1.137	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCCOC[C@@H]2C)C2CCCC2)c(=O)[nH]c1=O	ZINC000676713718	1075658207	/nfs/dbraw/zinc/65/82/07/1075658207.db2.gz	QWKGKSPOZASRMP-HNNXBMFYSA-N	1	1	421.542	1.718	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@H+]2CCCOC[C@@H]2C)C2CCCC2)c(=O)[nH]c1=O	ZINC000676713718	1075658209	/nfs/dbraw/zinc/65/82/09/1075658209.db2.gz	QWKGKSPOZASRMP-HNNXBMFYSA-N	1	1	421.542	1.718	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CC1	ZINC000732180967	1075662487	/nfs/dbraw/zinc/66/24/87/1075662487.db2.gz	WGJGKEDCBMHVGA-UHFFFAOYSA-N	1	1	418.538	1.358	20	0		HDADMO
COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732211856	1075667547	/nfs/dbraw/zinc/66/75/47/1075667547.db2.gz	HRSAWTDIJRIWII-KRWDZBQOSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732211856	1075667551	/nfs/dbraw/zinc/66/75/51/1075667551.db2.gz	HRSAWTDIJRIWII-KRWDZBQOSA-N	1	1	419.522	1.806	20	0		HDADMO
Cn1c(Cc2cccs2)nc2cc(C(=O)NC3CC[NH+](CC(N)=O)CC3)ccc21	ZINC000804199566	1075667706	/nfs/dbraw/zinc/66/77/06/1075667706.db2.gz	YUTXWWVQWWNISS-UHFFFAOYSA-N	1	1	411.531	1.905	20	0		HDADMO
COc1ccc(CCNC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1OC	ZINC000732211578	1075667963	/nfs/dbraw/zinc/66/79/63/1075667963.db2.gz	WMPPLGDZCOGLIE-GOSISDBHSA-N	1	1	403.523	1.839	20	0		HDADMO
COc1ccc(CCNC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1OC	ZINC000732211578	1075667965	/nfs/dbraw/zinc/66/79/65/1075667965.db2.gz	WMPPLGDZCOGLIE-GOSISDBHSA-N	1	1	403.523	1.839	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732213347	1075669254	/nfs/dbraw/zinc/66/92/54/1075669254.db2.gz	SLWOACNCUKLZBU-GOSISDBHSA-N	1	1	402.495	1.958	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732213347	1075669257	/nfs/dbraw/zinc/66/92/57/1075669257.db2.gz	SLWOACNCUKLZBU-GOSISDBHSA-N	1	1	402.495	1.958	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1	ZINC000732245616	1075678950	/nfs/dbraw/zinc/67/89/50/1075678950.db2.gz	BRZPOHUCYBHNLN-WBMJQRKESA-N	1	1	417.337	1.913	20	0		HDADMO
CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000141615939	1075686202	/nfs/dbraw/zinc/68/62/02/1075686202.db2.gz	YLTNDUZLDMRGBA-QGZVFWFLSA-N	1	1	418.538	1.580	20	0		HDADMO
CO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C	ZINC000509435636	1075687799	/nfs/dbraw/zinc/68/77/99/1075687799.db2.gz	DBFPAWNSFCVPPB-BHIYHBOVSA-N	1	1	402.539	1.243	20	0		HDADMO
O=C(CN1CCC(=O)NC1=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000732262722	1075689474	/nfs/dbraw/zinc/68/94/74/1075689474.db2.gz	XFWUVKGQJHOFDC-UHFFFAOYSA-N	1	1	421.501	1.367	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C	ZINC000804216972	1075691318	/nfs/dbraw/zinc/69/13/18/1075691318.db2.gz	RKYGXZAPWXVZQS-YESZJQIVSA-N	1	1	412.575	1.985	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@H]3C[C@H]3C)C1)CC2	ZINC000429464644	1075692697	/nfs/dbraw/zinc/69/26/97/1075692697.db2.gz	BBLGPCBDFHFCDC-OLMNPRSZSA-N	1	1	416.522	1.370	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@H]3C[C@H]3C)C1)CC2	ZINC000429464644	1075692699	/nfs/dbraw/zinc/69/26/99/1075692699.db2.gz	BBLGPCBDFHFCDC-OLMNPRSZSA-N	1	1	416.522	1.370	20	0		HDADMO
COc1ccnc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)c1	ZINC001084995816	1075695072	/nfs/dbraw/zinc/69/50/72/1075695072.db2.gz	CSNFBIGQPPZWHE-XTRBZBHRSA-N	1	1	401.507	1.565	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)CC2	ZINC000429468068	1075699686	/nfs/dbraw/zinc/69/96/86/1075699686.db2.gz	CZPBDIYKEDILRQ-QGZVFWFLSA-N	1	1	418.538	1.761	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)CC2	ZINC000429468068	1075699690	/nfs/dbraw/zinc/69/96/90/1075699690.db2.gz	CZPBDIYKEDILRQ-QGZVFWFLSA-N	1	1	418.538	1.761	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000441020152	1075700095	/nfs/dbraw/zinc/70/00/95/1075700095.db2.gz	ZPMQBLITEGOJDZ-CZUORRHYSA-N	1	1	404.902	1.717	20	0		HDADMO
C[C@@H]1COCC[N@H+]1CCNc1cc(NCCN2CCOC[C@@H]2C)nc2cnccc21	ZINC000516975783	1075708308	/nfs/dbraw/zinc/70/83/08/1075708308.db2.gz	HDTCCABMMGUMCG-MSOLQXFVSA-N	1	1	414.554	1.895	20	0		HDADMO
C[C@@H]1COCC[N@@H+]1CCNc1cc(NCCN2CCOC[C@@H]2C)nc2cnccc21	ZINC000516975783	1075708311	/nfs/dbraw/zinc/70/83/11/1075708311.db2.gz	HDTCCABMMGUMCG-MSOLQXFVSA-N	1	1	414.554	1.895	20	0		HDADMO
C[C@](O)(CNC(=O)NCc1ccncc1OCc1ccccc1)C[NH+]1CCOCC1	ZINC000509253529	1075710371	/nfs/dbraw/zinc/71/03/71/1075710371.db2.gz	FYJYYDHKBKLHKT-QFIPXVFZSA-N	1	1	414.506	1.543	20	0		HDADMO
C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509436562	1075710638	/nfs/dbraw/zinc/71/06/38/1075710638.db2.gz	GKFRMDVGNGFJKZ-CMKODMSKSA-N	1	1	402.539	1.075	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H]1C[C@H](C)O	ZINC000509436564	1075710740	/nfs/dbraw/zinc/71/07/40/1075710740.db2.gz	GKFRMDVGNGFJKZ-WSTZPKSXSA-N	1	1	402.539	1.075	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1cc(-c2cccc(F)c2)on1	ZINC000448095282	1075714020	/nfs/dbraw/zinc/71/40/20/1075714020.db2.gz	VFJLNBADNWEANV-INIZCTEOSA-N	1	1	403.458	2.545	20	0		HDADMO
CCc1cnc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)s1	ZINC000509438755	1075716719	/nfs/dbraw/zinc/71/67/19/1075716719.db2.gz	NTQZDTCANLZCDK-MRXNPFEDSA-N	1	1	415.563	1.649	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c1	ZINC000509255398	1075718659	/nfs/dbraw/zinc/71/86/59/1075718659.db2.gz	PFNGMOZMTHSZKL-UHFFFAOYSA-N	1	1	401.554	1.186	20	0		HDADMO
Cc1ccccc1Cc1nnc(CN2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)o1	ZINC000481773015	1075719990	/nfs/dbraw/zinc/71/99/90/1075719990.db2.gz	DGCNSLKZRZGSIR-KRWDZBQOSA-N	1	1	409.494	1.753	20	0		HDADMO
Cc1ccccc1Cc1nnc(CN2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)o1	ZINC000481773015	1075719998	/nfs/dbraw/zinc/71/99/98/1075719998.db2.gz	DGCNSLKZRZGSIR-KRWDZBQOSA-N	1	1	409.494	1.753	20	0		HDADMO
C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4nc(N)ns4)CC3)cc2)C[C@H](C)O1	ZINC000441527224	1075720478	/nfs/dbraw/zinc/72/04/78/1075720478.db2.gz	TYKZLFLIWWSHFY-GJZGRUSLSA-N	1	1	416.551	1.692	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1	ZINC000468708660	1075721750	/nfs/dbraw/zinc/72/17/50/1075721750.db2.gz	ZQCMBZDONSJFJD-HDICACEKSA-N	1	1	422.595	2.122	20	0		HDADMO
CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509255910	1075727673	/nfs/dbraw/zinc/72/76/73/1075727673.db2.gz	GZCNWFWINUAPPS-CQSZACIVSA-N	1	1	400.570	1.494	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1C1CC1	ZINC000568614150	1075728136	/nfs/dbraw/zinc/72/81/36/1075728136.db2.gz	HUSABAJGCBTWQT-HXUWFJFHSA-N	1	1	424.549	1.731	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C1CC1	ZINC000568614150	1075728138	/nfs/dbraw/zinc/72/81/38/1075728138.db2.gz	HUSABAJGCBTWQT-HXUWFJFHSA-N	1	1	424.549	1.731	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1C1CC1	ZINC000568614150	1075728140	/nfs/dbraw/zinc/72/81/40/1075728140.db2.gz	HUSABAJGCBTWQT-HXUWFJFHSA-N	1	1	424.549	1.731	20	0		HDADMO
CCN(CC)C(=O)CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000732432479	1075743942	/nfs/dbraw/zinc/74/39/42/1075743942.db2.gz	JJPOIXVLJAUDER-UHFFFAOYSA-N	1	1	401.511	1.963	20	0		HDADMO
CN(CCn1cccn1)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000732485435	1075747939	/nfs/dbraw/zinc/74/79/39/1075747939.db2.gz	DBRURNKXGBKNOU-UHFFFAOYSA-N	1	1	404.902	1.385	20	0		HDADMO
CN(C)[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(F)cc1	ZINC000427015840	1075749670	/nfs/dbraw/zinc/74/96/70/1075749670.db2.gz	NLPFSKNLYGEKOF-GOSISDBHSA-N	1	1	416.501	1.647	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2F)CC1	ZINC000732462427	1075751597	/nfs/dbraw/zinc/75/15/97/1075751597.db2.gz	AFWZDHSXJABKLX-UHFFFAOYSA-N	1	1	415.307	1.940	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1	ZINC000483836763	1075751991	/nfs/dbraw/zinc/75/19/91/1075751991.db2.gz	ILNLETFCXQRIPH-IBGZPJMESA-N	1	1	407.522	1.893	20	0		HDADMO
C[C@H](CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)[N@@H+](C)Cc1ccccc1	ZINC000579782346	1075752035	/nfs/dbraw/zinc/75/20/35/1075752035.db2.gz	AVDYJUGHPRPOIO-GOSISDBHSA-N	1	1	420.517	2.292	20	0		HDADMO
CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)c1	ZINC000732467253	1075754107	/nfs/dbraw/zinc/75/41/07/1075754107.db2.gz	TVQRKHHPSHRQGD-KRWDZBQOSA-N	1	1	412.556	1.997	20	0		HDADMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccn(CCN2CCOCC2)n1	ZINC000581241884	1075759265	/nfs/dbraw/zinc/75/92/65/1075759265.db2.gz	RSLRNQDZCOKZEZ-UHFFFAOYSA-N	1	1	404.515	1.794	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)Cc1ccc(F)cc1	ZINC000505032855	1075761187	/nfs/dbraw/zinc/76/11/87/1075761187.db2.gz	OGQJYFRIMNVHKW-UHFFFAOYSA-N	1	1	410.453	1.652	20	0		HDADMO
O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000509268265	1075774070	/nfs/dbraw/zinc/77/40/70/1075774070.db2.gz	ONWSKXQMEAYJDA-CVEARBPZSA-N	1	1	412.581	1.638	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCCC2=O)cn1	ZINC000732487979	1075775768	/nfs/dbraw/zinc/77/57/68/1075775768.db2.gz	OBLTYVRTWZCZBL-QGZVFWFLSA-N	1	1	410.478	1.518	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)C1CC1	ZINC000804223549	1075776082	/nfs/dbraw/zinc/77/60/82/1075776082.db2.gz	FAOLYDRBZBLJJS-RYQLBKOJSA-N	1	1	422.570	1.739	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)COCCNC(=O)OC(C)(C)C)cc2)CC1	ZINC000732553175	1075784448	/nfs/dbraw/zinc/78/44/48/1075784448.db2.gz	JSXNLOIVYOCPBO-UHFFFAOYSA-N	1	1	420.510	1.554	20	0		HDADMO
CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000732559370	1075785313	/nfs/dbraw/zinc/78/53/13/1075785313.db2.gz	MCRGWSCYYLKQNQ-QGZVFWFLSA-N	1	1	424.567	1.305	20	0		HDADMO
CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559370	1075785314	/nfs/dbraw/zinc/78/53/14/1075785314.db2.gz	MCRGWSCYYLKQNQ-QGZVFWFLSA-N	1	1	424.567	1.305	20	0		HDADMO
CC(=O)[C@@H]1CC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1	ZINC000732563641	1075789488	/nfs/dbraw/zinc/78/94/88/1075789488.db2.gz	LYPHQMCVZQHUFI-IRLDBZIGSA-N	1	1	411.550	1.837	20	0		HDADMO
CC(=O)[C@@H]1CC(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1	ZINC000732563641	1075789495	/nfs/dbraw/zinc/78/94/95/1075789495.db2.gz	LYPHQMCVZQHUFI-IRLDBZIGSA-N	1	1	411.550	1.837	20	0		HDADMO
CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1CC	ZINC000487783596	1075804067	/nfs/dbraw/zinc/80/40/67/1075804067.db2.gz	LFZXKGFVMZCACE-IBGZPJMESA-N	1	1	400.523	1.515	20	0		HDADMO
CCc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1CC	ZINC000487897251	1075805438	/nfs/dbraw/zinc/80/54/38/1075805438.db2.gz	PIHHSLODRWHGRP-UHFFFAOYSA-N	1	1	424.549	1.868	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N(CCO)CCN1CCOCC1	ZINC000487915817	1075805524	/nfs/dbraw/zinc/80/55/24/1075805524.db2.gz	NJQJASCVEVBEEP-SFHVURJKSA-N	1	1	410.584	1.296	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@@H+](CCO)Cc2cccc(Br)c2)C[C@H](C)O1	ZINC000488195577	1075806522	/nfs/dbraw/zinc/80/65/22/1075806522.db2.gz	FPFLMTHFBIHHRQ-RVKKMQEKSA-N	1	1	401.345	1.714	20	0		HDADMO
C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000556208081	1075808023	/nfs/dbraw/zinc/80/80/23/1075808023.db2.gz	QKFQAJMVTVKBEI-DZGCQCFKSA-N	1	1	415.460	1.817	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000547321307	1075810057	/nfs/dbraw/zinc/81/00/57/1075810057.db2.gz	SAPUVNRHDSEIAV-FXAWDEMLSA-N	1	1	418.501	1.902	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1	ZINC000732658865	1075819159	/nfs/dbraw/zinc/81/91/59/1075819159.db2.gz	CYFGFPMCVRMKIY-MSOLQXFVSA-N	1	1	406.433	1.399	20	0		HDADMO
Cc1ccccc1-n1cc(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cn1	ZINC000732682860	1075820895	/nfs/dbraw/zinc/82/08/95/1075820895.db2.gz	TVWJJWIUHZBILT-LJQANCHMSA-N	1	1	414.506	1.811	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(OC)ccc2C(=O)OC)CC1	ZINC000611070548	1075824849	/nfs/dbraw/zinc/82/48/49/1075824849.db2.gz	DHRVHFDLQDBSAF-UHFFFAOYSA-N	1	1	420.510	1.890	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cc(OC)ccc2C(=O)OC)CC1	ZINC000611070548	1075824852	/nfs/dbraw/zinc/82/48/52/1075824852.db2.gz	DHRVHFDLQDBSAF-UHFFFAOYSA-N	1	1	420.510	1.890	20	0		HDADMO
CC[N@H+]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C[C@@H]1C	ZINC000611088310	1075827533	/nfs/dbraw/zinc/82/75/33/1075827533.db2.gz	OYNGRPBJKOZXHB-FUHWJXTLSA-N	1	1	413.609	1.948	20	0		HDADMO
COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000611079248	1075829441	/nfs/dbraw/zinc/82/94/41/1075829441.db2.gz	OJQITTZVZSQEDC-HNNXBMFYSA-N	1	1	415.943	1.527	20	0		HDADMO
CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C(=O)Nc1ncn(C)n1	ZINC000551280975	1075833948	/nfs/dbraw/zinc/83/39/48/1075833948.db2.gz	XXWWTOLRTAMVSS-IBGZPJMESA-N	1	1	412.538	1.945	20	0		HDADMO
CCCCN(C(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000429290833	1075835063	/nfs/dbraw/zinc/83/50/63/1075835063.db2.gz	SIAQDMQPGUKRGA-ZIAGYGMSSA-N	1	1	409.531	1.308	20	0		HDADMO
CC[N@H+]1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C[C@H]1C	ZINC000611091712	1075840002	/nfs/dbraw/zinc/84/00/02/1075840002.db2.gz	BQFBICNPJOVBIL-LLVKDONJSA-N	1	1	422.507	1.013	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CC[N@@H+](CC)[C@@H](C)C1	ZINC000611092512	1075840326	/nfs/dbraw/zinc/84/03/26/1075840326.db2.gz	WUFUMSWDGICJTF-LBPRGKRZSA-N	1	1	410.540	1.557	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2cc3ccc(Br)cn3n2)C1	ZINC000482112360	1075842001	/nfs/dbraw/zinc/84/20/01/1075842001.db2.gz	HCBCGZNYDDWWSJ-LBPRGKRZSA-N	1	1	423.315	1.806	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)c1	ZINC000611099747	1075843797	/nfs/dbraw/zinc/84/37/97/1075843797.db2.gz	ONNSLTGUZJBSDD-UHFFFAOYSA-N	1	1	401.467	1.362	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000611130236	1075847608	/nfs/dbraw/zinc/84/76/08/1075847608.db2.gz	LHGBUALQRASWFR-MRXNPFEDSA-N	1	1	405.520	1.881	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000611130951	1075847799	/nfs/dbraw/zinc/84/77/99/1075847799.db2.gz	WYTJFMWTUGFELQ-CZUORRHYSA-N	1	1	409.508	1.116	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000611130951	1075847803	/nfs/dbraw/zinc/84/78/03/1075847803.db2.gz	WYTJFMWTUGFELQ-CZUORRHYSA-N	1	1	409.508	1.116	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([S@@](C)=O)cc1	ZINC000611121640	1075850764	/nfs/dbraw/zinc/85/07/64/1075850764.db2.gz	ILMCSZAFEQFJNG-PIHNYQAJSA-N	1	1	408.568	1.191	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000732777412	1075854652	/nfs/dbraw/zinc/85/46/52/1075854652.db2.gz	LGVJRGAPKOVSQA-UHFFFAOYSA-N	1	1	417.984	1.903	20	0		HDADMO
COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000611145138	1075855469	/nfs/dbraw/zinc/85/54/69/1075855469.db2.gz	KWGGMEYKPAKFAS-OAHLLOKOSA-N	1	1	400.472	1.488	20	0		HDADMO
COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000611145138	1075855476	/nfs/dbraw/zinc/85/54/76/1075855476.db2.gz	KWGGMEYKPAKFAS-OAHLLOKOSA-N	1	1	400.472	1.488	20	0		HDADMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCCN1CCN(c2ccccc2)CC1	ZINC000509292555	1075856828	/nfs/dbraw/zinc/85/68/28/1075856828.db2.gz	ASXUJIQAFWNXNC-NRFANRHFSA-N	1	1	408.612	1.993	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(Cc2cccs2)CC1	ZINC000732807515	1075863007	/nfs/dbraw/zinc/86/30/07/1075863007.db2.gz	PWGVWKGZRDPGTG-GOSISDBHSA-N	1	1	404.580	1.869	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(Cc2cccs2)CC1	ZINC000732807515	1075863010	/nfs/dbraw/zinc/86/30/10/1075863010.db2.gz	PWGVWKGZRDPGTG-GOSISDBHSA-N	1	1	404.580	1.869	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)C2)CC1	ZINC000732779215	1075863265	/nfs/dbraw/zinc/86/32/65/1075863265.db2.gz	ASBDQNGVJFANGI-KRZKXXONSA-N	1	1	406.552	1.356	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)C2)CC1	ZINC000732779215	1075863270	/nfs/dbraw/zinc/86/32/70/1075863270.db2.gz	ASBDQNGVJFANGI-KRZKXXONSA-N	1	1	406.552	1.356	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C(F)(F)F)n1	ZINC000732779157	1075863640	/nfs/dbraw/zinc/86/36/40/1075863640.db2.gz	RDNSSUNVGYONFG-SUMWQHHRSA-N	1	1	420.501	1.876	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(F)(F)F)n1	ZINC000732779157	1075863644	/nfs/dbraw/zinc/86/36/44/1075863644.db2.gz	RDNSSUNVGYONFG-SUMWQHHRSA-N	1	1	420.501	1.876	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)CC1	ZINC000732779217	1075863775	/nfs/dbraw/zinc/86/37/75/1075863775.db2.gz	ASBDQNGVJFANGI-MTIYJEKLSA-N	1	1	406.552	1.356	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)CC1	ZINC000732779217	1075863779	/nfs/dbraw/zinc/86/37/79/1075863779.db2.gz	ASBDQNGVJFANGI-MTIYJEKLSA-N	1	1	406.552	1.356	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732780679	1075865411	/nfs/dbraw/zinc/86/54/11/1075865411.db2.gz	LTXWYZOETVSJFB-YNGKYYQNSA-N	1	1	413.501	1.403	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732780679	1075865415	/nfs/dbraw/zinc/86/54/15/1075865415.db2.gz	LTXWYZOETVSJFB-YNGKYYQNSA-N	1	1	413.501	1.403	20	0		HDADMO
COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000732782191	1075866109	/nfs/dbraw/zinc/86/61/09/1075866109.db2.gz	DZXPYLUXSKWMJF-GOSISDBHSA-N	1	1	403.479	1.515	20	0		HDADMO
COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1OC	ZINC000732807922	1075870390	/nfs/dbraw/zinc/87/03/90/1075870390.db2.gz	XGPKZSDZRRHIGN-SFHVURJKSA-N	1	1	403.523	1.839	20	0		HDADMO
COc1ccc(CCNC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1OC	ZINC000732807922	1075870399	/nfs/dbraw/zinc/87/03/99/1075870399.db2.gz	XGPKZSDZRRHIGN-SFHVURJKSA-N	1	1	403.523	1.839	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)[C@H]1C[N@H+](C)CCO1	ZINC000611200606	1075876914	/nfs/dbraw/zinc/87/69/14/1075876914.db2.gz	ACQXZRDGGUEYTR-BLLLJJGKSA-N	1	1	409.458	1.555	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)[C@H]1C[N@@H+](C)CCO1	ZINC000611200606	1075876917	/nfs/dbraw/zinc/87/69/17/1075876917.db2.gz	ACQXZRDGGUEYTR-BLLLJJGKSA-N	1	1	409.458	1.555	20	0		HDADMO
C[NH+]1CCN(c2nc3ccccc3nc2N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000611203603	1075877328	/nfs/dbraw/zinc/87/73/28/1075877328.db2.gz	ZJBLTVNCRMXMKZ-SFHVURJKSA-N	1	1	413.522	1.929	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CCN3C(=S)N=NC3c3cccs3)C2)CC1	ZINC000732834220	1075882325	/nfs/dbraw/zinc/88/23/25/1075882325.db2.gz	OWMCNBJWXOOOPO-CQSZACIVSA-N	1	1	420.608	1.970	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CCN3C(=S)N=NC3c3cccs3)C2)CC1	ZINC000732834220	1075882328	/nfs/dbraw/zinc/88/23/28/1075882328.db2.gz	OWMCNBJWXOOOPO-CQSZACIVSA-N	1	1	420.608	1.970	20	0		HDADMO
COC(=O)c1cncc(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)c1	ZINC000611229341	1075882425	/nfs/dbraw/zinc/88/24/25/1075882425.db2.gz	NZNAGPXZVXFLET-UHFFFAOYSA-N	1	1	406.446	1.998	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)n2)CCN1C	ZINC000489366523	1075882822	/nfs/dbraw/zinc/88/28/22/1075882822.db2.gz	KHRKLWHVNSFYGP-NHCUHLMSSA-N	1	1	415.582	1.906	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)n2)CCN1C	ZINC000489366523	1075882828	/nfs/dbraw/zinc/88/28/28/1075882828.db2.gz	KHRKLWHVNSFYGP-NHCUHLMSSA-N	1	1	415.582	1.906	20	0		HDADMO
COC(=O)c1ccc(OCCN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(Cl)c1	ZINC000611244329	1075884566	/nfs/dbraw/zinc/88/45/66/1075884566.db2.gz	WENSASKIDNQQBS-KRWDZBQOSA-N	1	1	409.914	1.920	20	0		HDADMO
COc1c(C(=O)O[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1C	ZINC000732854885	1075886791	/nfs/dbraw/zinc/88/67/91/1075886791.db2.gz	RPLRZIHRURKANK-RDJZCZTQSA-N	1	1	400.479	1.673	20	0		HDADMO
COc1c(C(=O)O[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1C	ZINC000732854886	1075886837	/nfs/dbraw/zinc/88/68/37/1075886837.db2.gz	RPLRZIHRURKANK-WBVHZDCISA-N	1	1	400.479	1.673	20	0		HDADMO
COC(=O)[C@@]1(NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265834	1075889402	/nfs/dbraw/zinc/88/94/02/1075889402.db2.gz	JWKQFSVHOQPVRM-KGVIQGDOSA-N	1	1	403.523	1.420	20	0		HDADMO
COC(=O)[C@@]1(NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265834	1075889404	/nfs/dbraw/zinc/88/94/04/1075889404.db2.gz	JWKQFSVHOQPVRM-KGVIQGDOSA-N	1	1	403.523	1.420	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000611321435	1075900085	/nfs/dbraw/zinc/90/00/85/1075900085.db2.gz	PBQXPNUMWUNDRU-SJORKVTESA-N	1	1	403.479	1.775	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C1	ZINC000611320839	1075900094	/nfs/dbraw/zinc/90/00/94/1075900094.db2.gz	WAQKQJSJIOOWMR-MRXNPFEDSA-N	1	1	419.522	1.970	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C1	ZINC000611320839	1075900096	/nfs/dbraw/zinc/90/00/96/1075900096.db2.gz	WAQKQJSJIOOWMR-MRXNPFEDSA-N	1	1	419.522	1.970	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1	ZINC000611323250	1075900840	/nfs/dbraw/zinc/90/08/40/1075900840.db2.gz	LDVCBYPBMDPCTD-CYBMUJFWSA-N	1	1	401.463	1.762	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1	ZINC000611323250	1075900842	/nfs/dbraw/zinc/90/08/42/1075900842.db2.gz	LDVCBYPBMDPCTD-CYBMUJFWSA-N	1	1	401.463	1.762	20	0		HDADMO
COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(OC)c1	ZINC000732871382	1075901865	/nfs/dbraw/zinc/90/18/65/1075901865.db2.gz	HANMUOKXDBMLAA-MSOLQXFVSA-N	1	1	420.506	1.698	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000611334117	1075910050	/nfs/dbraw/zinc/91/00/50/1075910050.db2.gz	WGDIVDHWNBERAO-MSOLQXFVSA-N	1	1	423.554	1.138	20	0		HDADMO
COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000611365613	1075913717	/nfs/dbraw/zinc/91/37/17/1075913717.db2.gz	GETJJIRQTATDJE-ZIAGYGMSSA-N	1	1	409.508	1.148	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br	ZINC000611380243	1075921459	/nfs/dbraw/zinc/92/14/59/1075921459.db2.gz	OWNDTTCAAPKTHO-STQMWFEESA-N	1	1	424.295	1.917	20	0		HDADMO
CCOC(=O)c1sc(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)nc1C	ZINC000611396896	1075925016	/nfs/dbraw/zinc/92/50/16/1075925016.db2.gz	PWGUIVAPCPORMU-GFCCVEGCSA-N	1	1	412.512	1.407	20	0		HDADMO
CCOC(=O)c1sc(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)nc1C	ZINC000611396896	1075925018	/nfs/dbraw/zinc/92/50/18/1075925018.db2.gz	PWGUIVAPCPORMU-GFCCVEGCSA-N	1	1	412.512	1.407	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)[C@H](C)C1	ZINC000611401310	1075925459	/nfs/dbraw/zinc/92/54/59/1075925459.db2.gz	ZGCPUNRJRYRAJY-YLJYHZDGSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)[C@H](C)C1	ZINC000611401310	1075925460	/nfs/dbraw/zinc/92/54/60/1075925460.db2.gz	ZGCPUNRJRYRAJY-YLJYHZDGSA-N	1	1	403.523	1.845	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1	ZINC000732970755	1075928618	/nfs/dbraw/zinc/92/86/18/1075928618.db2.gz	KAJHYUBRRHGBRW-UHFFFAOYSA-N	1	1	410.462	1.787	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1	ZINC000732955790	1075931110	/nfs/dbraw/zinc/93/11/10/1075931110.db2.gz	CNMSVRRPJUXFMB-CTBJKRMSSA-N	1	1	424.501	1.754	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1	ZINC000732955616	1075931191	/nfs/dbraw/zinc/93/11/91/1075931191.db2.gz	NUBOVDBIHJUFFA-RGEXLXHISA-N	1	1	410.474	1.377	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(=O)c2cc(Br)ccc2[nH]1	ZINC000732957241	1075931773	/nfs/dbraw/zinc/93/17/73/1075931773.db2.gz	QLOQVXAMPLARAM-QWHCGFSZSA-N	1	1	406.280	1.884	20	0		HDADMO
COC(=O)C1(c2ccc(S(=O)(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2)CC1	ZINC000611445754	1075935978	/nfs/dbraw/zinc/93/59/78/1075935978.db2.gz	QEHOOXQDPNBWDE-GOSISDBHSA-N	1	1	421.563	1.292	20	0		HDADMO
CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000732981510	1075936134	/nfs/dbraw/zinc/93/61/34/1075936134.db2.gz	AEIUDLHODGDSGD-IBGZPJMESA-N	1	1	402.539	1.930	20	0		HDADMO
O=C(CC[N@H+](CCO)CCc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000732983980	1075938085	/nfs/dbraw/zinc/93/80/85/1075938085.db2.gz	NITFRVFGASMXFP-UHFFFAOYSA-N	1	1	402.495	1.199	20	0		HDADMO
COC(=O)COc1cccc(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)c1	ZINC000611546601	1075959901	/nfs/dbraw/zinc/95/99/01/1075959901.db2.gz	URKKZTCSQXBCTL-UHFFFAOYSA-N	1	1	409.402	1.074	20	0		HDADMO
COC(=O)[C@H]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[C@H](C(=O)OC)C1	ZINC000611547413	1075960442	/nfs/dbraw/zinc/96/04/42/1075960442.db2.gz	UFQGJEWPMHLXKJ-IRXDYDNUSA-N	1	1	403.479	1.560	20	0		HDADMO
Cc1nc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)co1	ZINC001079252657	1075967671	/nfs/dbraw/zinc/96/76/71/1075967671.db2.gz	MPIMOLYANKPBCK-FYBDHJHVSA-N	1	1	413.518	1.846	20	0		HDADMO
Cc1nonc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3COC[C@@H]32)CC1	ZINC001079263521	1075968324	/nfs/dbraw/zinc/96/83/24/1075968324.db2.gz	ZMSYVVWMFXECSA-VYDRJQSISA-N	1	1	402.495	1.385	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N(CCO)CCN2CCOCC2)CC[N@H+]1Cc1ccccc1	ZINC000491425119	1075975463	/nfs/dbraw/zinc/97/54/63/1075975463.db2.gz	WBGNHFBYFKAZOK-CTNGQTDRSA-N	1	1	404.555	1.376	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1=O	ZINC000733146137	1075982772	/nfs/dbraw/zinc/98/27/72/1075982772.db2.gz	FHYJZCIMTNVCNI-WMZOPIPTSA-N	1	1	418.513	1.934	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001080180760	1075985610	/nfs/dbraw/zinc/98/56/10/1075985610.db2.gz	VRROUZDZOBOPLH-OKRWTYQPSA-N	1	1	402.491	1.446	20	0		HDADMO
CCOC(=O)Cc1cnc(N(C)C(=O)CC[NH+]2CCN(c3ccccn3)CC2)s1	ZINC001299298404	1075985936	/nfs/dbraw/zinc/98/59/36/1075985936.db2.gz	SYWYICUKVWMCOS-UHFFFAOYSA-N	1	1	417.535	1.819	20	0		HDADMO
O=C(C[NH+]1CCC2(CC1)OCCc1ccsc12)N1CCN(C(=O)C2CC2)CC1	ZINC000492467441	1075986711	/nfs/dbraw/zinc/98/67/11/1075986711.db2.gz	SBXIJOMPPKVZJA-UHFFFAOYSA-N	1	1	403.548	1.693	20	0		HDADMO
CC(C)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)N1CC[NH+](C)CC1	ZINC000733155980	1075988774	/nfs/dbraw/zinc/98/87/74/1075988774.db2.gz	IJCBPSLZJWGLCN-FQEVSTJZSA-N	1	1	401.555	1.322	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1	ZINC000733157247	1075990686	/nfs/dbraw/zinc/99/06/86/1075990686.db2.gz	WOKPOPLIVCJJSQ-XFHJGTJQSA-N	1	1	413.547	1.621	20	0		HDADMO
CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000493889754	1075993178	/nfs/dbraw/zinc/99/31/78/1075993178.db2.gz	XXNKKVMRDXDHGU-GFCCVEGCSA-N	1	1	405.446	1.867	20	0		HDADMO
CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000493889754	1075993181	/nfs/dbraw/zinc/99/31/81/1075993181.db2.gz	XXNKKVMRDXDHGU-GFCCVEGCSA-N	1	1	405.446	1.867	20	0		HDADMO
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1	ZINC000511912148	1075999818	/nfs/dbraw/zinc/99/98/18/1075999818.db2.gz	YSCDDFGDHJAZET-DLBZAZTESA-N	1	1	406.531	1.639	20	0		HDADMO
CO[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959771	1076019906	/nfs/dbraw/zinc/01/99/06/1076019906.db2.gz	XICJNBZIAISAKN-YBRIYBKASA-N	1	1	406.910	1.958	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959771	1076019914	/nfs/dbraw/zinc/01/99/14/1076019914.db2.gz	XICJNBZIAISAKN-YBRIYBKASA-N	1	1	406.910	1.958	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973609	1076021404	/nfs/dbraw/zinc/02/14/04/1076021404.db2.gz	PTSDXCGOWRGOPW-VNXMGFANSA-N	1	1	402.535	1.795	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973949	1076021616	/nfs/dbraw/zinc/02/16/16/1076021616.db2.gz	ZJIRNMOICWNEQF-VNXMGFANSA-N	1	1	400.519	1.542	20	0		HDADMO
COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)c1C	ZINC001081975079	1076022128	/nfs/dbraw/zinc/02/21/28/1076022128.db2.gz	OEDWUNLOFPLCGF-FSAOVCISSA-N	1	1	404.507	1.371	20	0		HDADMO
CCOc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](OC)C1	ZINC001082155875	1076023904	/nfs/dbraw/zinc/02/39/04/1076023904.db2.gz	ZYULUGYGQVSQTO-DKLJTFSYSA-N	1	1	404.507	1.847	20	0		HDADMO
CCOc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](OC)C1	ZINC001082155875	1076023908	/nfs/dbraw/zinc/02/39/08/1076023908.db2.gz	ZYULUGYGQVSQTO-DKLJTFSYSA-N	1	1	404.507	1.847	20	0		HDADMO
COC[C@]1(C)NC(=O)N(C[N@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000733298349	1076032921	/nfs/dbraw/zinc/03/29/21/1076032921.db2.gz	UXSOBBXRHGXXNR-FQEVSTJZSA-N	1	1	410.515	1.765	20	0		HDADMO
COC[C@]1(C)NC(=O)N(C[N@@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000733298349	1076032927	/nfs/dbraw/zinc/03/29/27/1076032927.db2.gz	UXSOBBXRHGXXNR-FQEVSTJZSA-N	1	1	410.515	1.765	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(c2O)OC(C)(C)C3)C1	ZINC000727024702	1076033067	/nfs/dbraw/zinc/03/30/67/1076033067.db2.gz	LVFSMUWUCMKNFF-MRXNPFEDSA-N	1	1	420.506	1.736	20	0		HDADMO
CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H](S(=O)(=O)NC)C3)cc(=O)oc2c1	ZINC000733310815	1076035523	/nfs/dbraw/zinc/03/55/23/1076035523.db2.gz	LCHXPIVMZCGCAC-OAHLLOKOSA-N	1	1	423.491	1.875	20	0		HDADMO
CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H](S(=O)(=O)NC)C3)cc(=O)oc2c1	ZINC000733310815	1076035530	/nfs/dbraw/zinc/03/55/30/1076035530.db2.gz	LCHXPIVMZCGCAC-OAHLLOKOSA-N	1	1	423.491	1.875	20	0		HDADMO
C[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)C1CCN(C(=O)c2ccccc2)CC1	ZINC000733310251	1076036401	/nfs/dbraw/zinc/03/64/01/1076036401.db2.gz	PPYCDHHBAFOVTO-UHFFFAOYSA-N	1	1	401.507	1.589	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=S)NCCNS(C)(=O)=O)C1	ZINC000727076334	1076038864	/nfs/dbraw/zinc/03/88/64/1076038864.db2.gz	DMOBVXXLBHKPCY-IYBDPMFKSA-N	1	1	412.625	1.678	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1	ZINC000733338532	1076046295	/nfs/dbraw/zinc/04/62/95/1076046295.db2.gz	YWZPUOFURDULKH-GJZGRUSLSA-N	1	1	411.547	1.236	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc2)CC1	ZINC000733339765	1076046539	/nfs/dbraw/zinc/04/65/39/1076046539.db2.gz	CGYNJVUXAATPJH-UHFFFAOYSA-N	1	1	424.567	1.087	20	0		HDADMO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000727137780	1076051357	/nfs/dbraw/zinc/05/13/57/1076051357.db2.gz	GSEZVZRHXYIYSS-CVEARBPZSA-N	1	1	410.559	1.691	20	0		HDADMO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000727137780	1076051361	/nfs/dbraw/zinc/05/13/61/1076051361.db2.gz	GSEZVZRHXYIYSS-CVEARBPZSA-N	1	1	410.559	1.691	20	0		HDADMO
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000727153997	1076053801	/nfs/dbraw/zinc/05/38/01/1076053801.db2.gz	MQOJEPZDRNLXON-SFHVURJKSA-N	1	1	418.538	1.750	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3F)cc2)CC1	ZINC000733369421	1076057738	/nfs/dbraw/zinc/05/77/38/1076057738.db2.gz	NLFBWSFCWLUECL-UHFFFAOYSA-N	1	1	420.466	1.113	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1	ZINC000053524876	1076058428	/nfs/dbraw/zinc/05/84/28/1076058428.db2.gz	WWPARAHWHWIJTK-QGZVFWFLSA-N	1	1	406.508	1.598	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1Cl	ZINC000053553457	1076058820	/nfs/dbraw/zinc/05/88/20/1076058820.db2.gz	SSOIKACDBVFPQG-GOSISDBHSA-N	1	1	407.946	1.549	20	0		HDADMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N1CCc2ccccc2CC1	ZINC000518246621	1076059178	/nfs/dbraw/zinc/05/91/78/1076059178.db2.gz	PSVZWUQJYIYPJV-JOCHJYFZSA-N	1	1	407.514	1.497	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)=NC(=O)N[C@H]1c1ccccc1	ZINC000727158252	1076071324	/nfs/dbraw/zinc/07/13/24/1076071324.db2.gz	JWGAIBIMOMAMAB-QRWLVFNGSA-N	1	1	414.506	1.835	20	0		HDADMO
CCOC(=O)C1C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)=NC(=O)N[C@H]1c1ccccc1	ZINC000727158252	1076071329	/nfs/dbraw/zinc/07/13/29/1076071329.db2.gz	JWGAIBIMOMAMAB-QRWLVFNGSA-N	1	1	414.506	1.835	20	0		HDADMO
Cc1nn(CC(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1Cl	ZINC000733518270	1076093318	/nfs/dbraw/zinc/09/33/18/1076093318.db2.gz	GPJVBFQAMQIDMM-OAHLLOKOSA-N	1	1	400.907	1.170	20	0		HDADMO
O=C(OCCCN1C(=O)CNC1=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000733529995	1076095489	/nfs/dbraw/zinc/09/54/89/1076095489.db2.gz	GHPNHCBDCOURPX-GOSISDBHSA-N	1	1	413.396	1.926	20	0		HDADMO
C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(S(N)(=O)=O)c1	ZINC000727318745	1076096191	/nfs/dbraw/zinc/09/61/91/1076096191.db2.gz	FWXJCDQLQUAXKE-CYBMUJFWSA-N	1	1	416.503	1.516	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC001626110497	1076097921	/nfs/dbraw/zinc/09/79/21/1076097921.db2.gz	BDPLKRKHCFISDY-KRWDZBQOSA-N	1	1	423.579	1.944	20	0		HDADMO
C[C@H]1C[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCCO1	ZINC000727436434	1076120831	/nfs/dbraw/zinc/12/08/31/1076120831.db2.gz	JCGTVWLPJILUOY-FBKCMUNRSA-N	1	1	404.492	1.345	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCCO1	ZINC000727436434	1076120839	/nfs/dbraw/zinc/12/08/39/1076120839.db2.gz	JCGTVWLPJILUOY-FBKCMUNRSA-N	1	1	404.492	1.345	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC1	ZINC000727441467	1076122625	/nfs/dbraw/zinc/12/26/25/1076122625.db2.gz	YSSTXDTUFORYBY-QGZVFWFLSA-N	1	1	403.479	1.895	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC1	ZINC000727441467	1076122668	/nfs/dbraw/zinc/12/26/68/1076122668.db2.gz	YSSTXDTUFORYBY-QGZVFWFLSA-N	1	1	403.479	1.895	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1	ZINC000727434277	1076128895	/nfs/dbraw/zinc/12/88/95/1076128895.db2.gz	HNMSQHVKTZBBLK-RQZCQDPDSA-N	1	1	413.446	1.815	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1	ZINC000727434277	1076128899	/nfs/dbraw/zinc/12/88/99/1076128899.db2.gz	HNMSQHVKTZBBLK-RQZCQDPDSA-N	1	1	413.446	1.815	20	0		HDADMO
Cc1cc(NC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1	ZINC000766191989	1076131699	/nfs/dbraw/zinc/13/16/99/1076131699.db2.gz	IVQFCSLJAFCPDA-UHFFFAOYSA-N	1	1	407.515	1.758	20	0		HDADMO
CC(=O)NCc1ccc(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1	ZINC000733664860	1076145841	/nfs/dbraw/zinc/14/58/41/1076145841.db2.gz	IHQDICRHKLEZMV-UHFFFAOYSA-N	1	1	406.446	1.467	20	0		HDADMO
Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cn1	ZINC000525920381	1076167650	/nfs/dbraw/zinc/16/76/50/1076167650.db2.gz	TXOVIFHCWTYNTK-CMKODMSKSA-N	1	1	400.502	1.818	20	0		HDADMO
Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cn1	ZINC000525920381	1076167653	/nfs/dbraw/zinc/16/76/53/1076167653.db2.gz	TXOVIFHCWTYNTK-CMKODMSKSA-N	1	1	400.502	1.818	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1F	ZINC000727609580	1076180030	/nfs/dbraw/zinc/18/00/30/1076180030.db2.gz	CMZPZMYTYDHZBM-QGZVFWFLSA-N	1	1	423.489	1.331	20	0		HDADMO
CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCCn2cc[nH+]c2C)CC1	ZINC000727742950	1076210932	/nfs/dbraw/zinc/21/09/32/1076210932.db2.gz	KMLGRKLXGLARJF-UHFFFAOYSA-N	1	1	405.524	1.229	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C3Cc4ccccc4C3)C2=O)c1	ZINC000733794168	1076214580	/nfs/dbraw/zinc/21/45/80/1076214580.db2.gz	NGRILUSOTSBZQT-HSZRJFAPSA-N	1	1	422.485	1.593	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C3Cc4ccccc4C3)C2=O)c1	ZINC000733794168	1076214588	/nfs/dbraw/zinc/21/45/88/1076214588.db2.gz	NGRILUSOTSBZQT-HSZRJFAPSA-N	1	1	422.485	1.593	20	0		HDADMO
CCOC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1	ZINC000733796303	1076216090	/nfs/dbraw/zinc/21/60/90/1076216090.db2.gz	BWJQAYWZVIUIPO-YCRPNKLZSA-N	1	1	418.494	1.242	20	0		HDADMO
CCOC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1	ZINC000733796303	1076216093	/nfs/dbraw/zinc/21/60/93/1076216093.db2.gz	BWJQAYWZVIUIPO-YCRPNKLZSA-N	1	1	418.494	1.242	20	0		HDADMO
C[C@H](CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[N@@H+](C)C1CC1	ZINC000727741762	1076216817	/nfs/dbraw/zinc/21/68/17/1076216817.db2.gz	LJESNWDOKHPBHC-CQSZACIVSA-N	1	1	404.536	1.446	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)c1C	ZINC000733871634	1076225073	/nfs/dbraw/zinc/22/50/73/1076225073.db2.gz	OCEAFDNKCOFBNP-UHFFFAOYSA-N	1	1	408.256	1.265	20	0		HDADMO
C[NH+](C)CCN1CCC(CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	ZINC000733882546	1076238110	/nfs/dbraw/zinc/23/81/10/1076238110.db2.gz	RDGQLLGNKJMISI-UHFFFAOYSA-N	1	1	421.485	1.984	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)C2)no1	ZINC000533127674	1076241674	/nfs/dbraw/zinc/24/16/74/1076241674.db2.gz	QGZHJSCCPNIEJN-IAGOWNOFSA-N	1	1	406.531	1.495	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)C2)no1	ZINC000533127673	1076241702	/nfs/dbraw/zinc/24/17/02/1076241702.db2.gz	QGZHJSCCPNIEJN-DLBZAZTESA-N	1	1	406.531	1.495	20	0		HDADMO
CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1	ZINC001299309242	1076242693	/nfs/dbraw/zinc/24/26/93/1076242693.db2.gz	WNSUWNNGPVWUSK-UHFFFAOYSA-N	1	1	421.571	1.200	20	0		HDADMO
CO[C@]1(C)CCCN(c2nnc([C@@H]3CCOC3)n2CCC[NH+]2CCOCC2)CC1	ZINC001299764164	1076243566	/nfs/dbraw/zinc/24/35/66/1076243566.db2.gz	OSRCYSIENSIBET-WIYYLYMNSA-N	1	1	407.559	1.900	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000533878742	1076246461	/nfs/dbraw/zinc/24/64/61/1076246461.db2.gz	QEIRZEHIYXAQJA-SFHVURJKSA-N	1	1	409.458	1.936	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000533878742	1076246471	/nfs/dbraw/zinc/24/64/71/1076246471.db2.gz	QEIRZEHIYXAQJA-SFHVURJKSA-N	1	1	409.458	1.936	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3c(F)cc(Br)cc3c2=O)C[C@@H](C)O1	ZINC000534146126	1076246742	/nfs/dbraw/zinc/24/67/42/1076246742.db2.gz	NSBHCDOPUSQUCC-NQBHXWOUSA-N	1	1	414.275	1.768	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3c(F)cc(Br)cc3c2=O)C[C@H](C)O1	ZINC000534146127	1076246898	/nfs/dbraw/zinc/24/68/98/1076246898.db2.gz	NSBHCDOPUSQUCC-NTZNESFSSA-N	1	1	414.275	1.768	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H](O)Cn2cnc3c(F)cc(Br)cc3c2=O)C[C@H](C)O1	ZINC000534146127	1076246902	/nfs/dbraw/zinc/24/69/02/1076246902.db2.gz	NSBHCDOPUSQUCC-NTZNESFSSA-N	1	1	414.275	1.768	20	0		HDADMO
COCC(COC)[NH+]1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC001299318927	1076247685	/nfs/dbraw/zinc/24/76/85/1076247685.db2.gz	MKJIDDXCOVPFDG-UHFFFAOYSA-N	1	1	413.559	1.829	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1	ZINC000534560095	1076248848	/nfs/dbraw/zinc/24/88/48/1076248848.db2.gz	TZFSFPWGZPITOW-DYESRHJHSA-N	1	1	424.501	1.797	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1	ZINC000534560095	1076248854	/nfs/dbraw/zinc/24/88/54/1076248854.db2.gz	TZFSFPWGZPITOW-DYESRHJHSA-N	1	1	424.501	1.797	20	0		HDADMO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000535267004	1076250456	/nfs/dbraw/zinc/25/04/56/1076250456.db2.gz	AIQWUXCFQBCPBW-CXAGYDPISA-N	1	1	405.524	1.007	20	0		HDADMO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535267004	1076250459	/nfs/dbraw/zinc/25/04/59/1076250459.db2.gz	AIQWUXCFQBCPBW-CXAGYDPISA-N	1	1	405.524	1.007	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000535277298	1076251370	/nfs/dbraw/zinc/25/13/70/1076251370.db2.gz	YDOQEJHAOZIIBR-HXUWFJFHSA-N	1	1	415.515	1.624	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000535277298	1076251372	/nfs/dbraw/zinc/25/13/72/1076251372.db2.gz	YDOQEJHAOZIIBR-HXUWFJFHSA-N	1	1	415.515	1.624	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000144161590	1076253785	/nfs/dbraw/zinc/25/37/85/1076253785.db2.gz	GZITXFOZYFVQLD-MSOLQXFVSA-N	1	1	418.538	1.325	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1	ZINC000536028076	1076253763	/nfs/dbraw/zinc/25/37/63/1076253763.db2.gz	RIOCLZVJHNYFIR-AVRDEDQJSA-N	1	1	407.474	1.727	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1	ZINC000536028076	1076253769	/nfs/dbraw/zinc/25/37/69/1076253769.db2.gz	RIOCLZVJHNYFIR-AVRDEDQJSA-N	1	1	407.474	1.727	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000536081110	1076255647	/nfs/dbraw/zinc/25/56/47/1076255647.db2.gz	XQHNITPBYPQMNX-LJQANCHMSA-N	1	1	401.488	1.470	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000536081110	1076255652	/nfs/dbraw/zinc/25/56/52/1076255652.db2.gz	XQHNITPBYPQMNX-LJQANCHMSA-N	1	1	401.488	1.470	20	0		HDADMO
Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCCOC(=O)NC(N)=O)C2)cc1	ZINC000733899035	1076259990	/nfs/dbraw/zinc/25/99/90/1076259990.db2.gz	YNZMNJDVSXLENK-HNNXBMFYSA-N	1	1	412.512	1.180	20	0		HDADMO
COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000727828565	1076262798	/nfs/dbraw/zinc/26/27/98/1076262798.db2.gz	UVWSHJUELJASFK-AWEZNQCLSA-N	1	1	403.932	1.837	20	0		HDADMO
COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000727828565	1076262802	/nfs/dbraw/zinc/26/28/02/1076262802.db2.gz	UVWSHJUELJASFK-AWEZNQCLSA-N	1	1	403.932	1.837	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)C1	ZINC000727820186	1076267414	/nfs/dbraw/zinc/26/74/14/1076267414.db2.gz	VSLUTIMXPXXFGU-KYMGHPBBSA-N	1	1	422.570	1.944	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)C1	ZINC000727820186	1076267419	/nfs/dbraw/zinc/26/74/19/1076267419.db2.gz	VSLUTIMXPXXFGU-KYMGHPBBSA-N	1	1	422.570	1.944	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC([N@H+](CN2C(=O)NC3(CCOCC3)C2=O)C2CC2)CC1	ZINC000727822104	1076267810	/nfs/dbraw/zinc/26/78/10/1076267810.db2.gz	WCQVZMYXLMQILV-UHFFFAOYSA-N	1	1	422.526	1.909	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC([N@@H+](CN2C(=O)NC3(CCOCC3)C2=O)C2CC2)CC1	ZINC000727822104	1076267814	/nfs/dbraw/zinc/26/78/14/1076267814.db2.gz	WCQVZMYXLMQILV-UHFFFAOYSA-N	1	1	422.526	1.909	20	0		HDADMO
C[C@H](C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[NH+]1CCCCCC1	ZINC000733922720	1076271433	/nfs/dbraw/zinc/27/14/33/1076271433.db2.gz	QNRXQRXGXPZVNV-MRXNPFEDSA-N	1	1	404.536	1.544	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1	ZINC000727860127	1076275002	/nfs/dbraw/zinc/27/50/02/1076275002.db2.gz	SAUZNPGWPCEIPO-KRWDZBQOSA-N	1	1	424.505	1.681	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O	ZINC000727861166	1076275067	/nfs/dbraw/zinc/27/50/67/1076275067.db2.gz	YWKVRASKKFCJFE-HNNXBMFYSA-N	1	1	409.508	1.080	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O	ZINC000727861167	1076275209	/nfs/dbraw/zinc/27/52/09/1076275209.db2.gz	YWKVRASKKFCJFE-OAHLLOKOSA-N	1	1	409.508	1.080	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1	ZINC000733975822	1076280122	/nfs/dbraw/zinc/28/01/22/1076280122.db2.gz	PQVYPLAPTGCMRS-UHFFFAOYSA-N	1	1	412.556	1.016	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1	ZINC000733975363	1076280369	/nfs/dbraw/zinc/28/03/69/1076280369.db2.gz	SFKYAAZOZBBKSO-MNDPQUGUSA-N	1	1	410.474	1.331	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000733976462	1076280994	/nfs/dbraw/zinc/28/09/94/1076280994.db2.gz	QEBHVTKJBCTHKM-KRWDZBQOSA-N	1	1	416.595	1.932	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1	ZINC000727936317	1076289324	/nfs/dbraw/zinc/28/93/24/1076289324.db2.gz	MXKOOQXZSHLYTJ-UHFFFAOYSA-N	1	1	423.583	1.571	20	0		HDADMO
NS(=O)(=O)c1ccc(CNC(=S)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1	ZINC000734099320	1076304246	/nfs/dbraw/zinc/30/42/46/1076304246.db2.gz	PSLLTGDODBIPFI-SFHVURJKSA-N	1	1	418.588	1.963	20	0		HDADMO
C[N@@H+](CCOc1cccc(CNC(=O)CCN2CCOC2=O)c1)C1CCOCC1	ZINC000728032009	1076316479	/nfs/dbraw/zinc/31/64/79/1076316479.db2.gz	SXTZYRUBFZJQSN-UHFFFAOYSA-N	1	1	405.495	1.635	20	0		HDADMO
CNC(=O)c1nn(CN2CC[NH+](Cc3ccccc3OC)CC2)c(=O)c2ccccc21	ZINC000728048100	1076318954	/nfs/dbraw/zinc/31/89/54/1076318954.db2.gz	DIVLSWHGJOOYLC-UHFFFAOYSA-N	1	1	421.501	1.540	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000728055375	1076322426	/nfs/dbraw/zinc/32/24/26/1076322426.db2.gz	RNDIBMKKVKFINA-HNNXBMFYSA-N	1	1	422.551	1.891	20	0		HDADMO
CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1	ZINC000728056080	1076323126	/nfs/dbraw/zinc/32/31/26/1076323126.db2.gz	AJMKAEKAMVIPOQ-XKSYAXFZSA-N	1	1	407.536	1.242	20	0		HDADMO
CO[C@@H]1CCC[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1	ZINC000728056393	1076323143	/nfs/dbraw/zinc/32/31/43/1076323143.db2.gz	STLBEEBHZZJHMM-CCAPLTMGSA-N	1	1	404.492	1.345	20	0		HDADMO
CO[C@@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1	ZINC000728056393	1076323144	/nfs/dbraw/zinc/32/31/44/1076323144.db2.gz	STLBEEBHZZJHMM-CCAPLTMGSA-N	1	1	404.492	1.345	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)ccc12	ZINC000728072825	1076332704	/nfs/dbraw/zinc/33/27/04/1076332704.db2.gz	JQDLGWOVWJJLSH-SFHVURJKSA-N	1	1	415.490	1.539	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000728072582	1076332740	/nfs/dbraw/zinc/33/27/40/1076332740.db2.gz	DVSNVBYBHUILKU-KBPBESRZSA-N	1	1	422.448	1.209	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2cc[nH]c2=S)cc1	ZINC000728073964	1076333803	/nfs/dbraw/zinc/33/38/03/1076333803.db2.gz	ZNBTWPIEUROCJA-QGZVFWFLSA-N	1	1	401.536	1.834	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C(F)(F)F)n1	ZINC000728078134	1076334658	/nfs/dbraw/zinc/33/46/58/1076334658.db2.gz	ULCRRXQGTPYIJH-BLLLJJGKSA-N	1	1	422.473	1.295	20	0		HDADMO
CCOc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1	ZINC000728078113	1076335027	/nfs/dbraw/zinc/33/50/27/1076335027.db2.gz	STKMZFALZWLBDV-SJORKVTESA-N	1	1	416.522	1.142	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@H+]1CCC[C@H](C)C1	ZINC000728135392	1076340030	/nfs/dbraw/zinc/34/00/30/1076340030.db2.gz	IYRRKDRROCQSEI-HOTGVXAUSA-N	1	1	406.502	1.837	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000728140701	1076341274	/nfs/dbraw/zinc/34/12/74/1076341274.db2.gz	DPFUYBJCLKZWND-CVEARBPZSA-N	1	1	406.502	1.837	20	0		HDADMO
C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc2Cl)CC1	ZINC000728144945	1076343839	/nfs/dbraw/zinc/34/38/39/1076343839.db2.gz	MDJPNHARQYRPBU-UHFFFAOYSA-N	1	1	423.945	1.451	20	0		HDADMO
O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000023958523	1076344660	/nfs/dbraw/zinc/34/46/60/1076344660.db2.gz	TZHFLQIAVQKUDG-UHFFFAOYSA-N	1	1	411.458	1.294	20	0		HDADMO
C[C@@H]1c2cccn2CC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000027368191	1076359588	/nfs/dbraw/zinc/35/95/88/1076359588.db2.gz	UDXJDHYYEBJQGJ-QGZVFWFLSA-N	1	1	405.520	1.965	20	0		HDADMO
C[C@@H]1c2cccn2CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000027368191	1076359593	/nfs/dbraw/zinc/35/95/93/1076359593.db2.gz	UDXJDHYYEBJQGJ-QGZVFWFLSA-N	1	1	405.520	1.965	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCCC[C@H]3C3OCCO3)CC2)cc1	ZINC000728174844	1076365105	/nfs/dbraw/zinc/36/51/05/1076365105.db2.gz	YKJNOAMYLFFRDQ-NRFANRHFSA-N	1	1	417.550	1.957	20	0		HDADMO
CC(C)(C)n1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)cn1	ZINC001084540479	1076370138	/nfs/dbraw/zinc/37/01/38/1076370138.db2.gz	FNHJQTPZVYBTIQ-LCWAXJCOSA-N	1	1	402.539	1.722	20	0		HDADMO
CC(C)(C)n1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)cn1	ZINC001084540479	1076370149	/nfs/dbraw/zinc/37/01/49/1076370149.db2.gz	FNHJQTPZVYBTIQ-LCWAXJCOSA-N	1	1	402.539	1.722	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1F	ZINC000730083932	1076430863	/nfs/dbraw/zinc/43/08/63/1076430863.db2.gz	BPNTXMVXALEIDR-SJORKVTESA-N	1	1	413.515	1.184	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1	ZINC000730085789	1076432978	/nfs/dbraw/zinc/43/29/78/1076432978.db2.gz	GNZRIWOLDWVYOH-SFHVURJKSA-N	1	1	402.495	1.100	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Cl	ZINC000730087314	1076441685	/nfs/dbraw/zinc/44/16/85/1076441685.db2.gz	UNHDFPCLPQXQEQ-JKSUJKDBSA-N	1	1	415.943	1.262	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CON=C(N)C[N@H+]1CCCC[C@@H]1C)CC2	ZINC000730100431	1076453855	/nfs/dbraw/zinc/45/38/55/1076453855.db2.gz	ZCQHYQMAAXDRQJ-HNNXBMFYSA-N	1	1	404.511	1.961	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000730123967	1076464886	/nfs/dbraw/zinc/46/48/86/1076464886.db2.gz	AUTYELQFKACHAV-FGTMMUONSA-N	1	1	411.591	1.957	20	0		HDADMO
Cc1csc(=NCc2ccc(S(N)(=O)=O)cc2)n1[C@H](C)C[NH+]1CCN(C)CC1	ZINC000730141622	1076467620	/nfs/dbraw/zinc/46/76/20/1076467620.db2.gz	OEISTCPXZJLCLQ-OAHLLOKOSA-N	1	1	423.608	1.415	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730218191	1076479957	/nfs/dbraw/zinc/47/99/57/1076479957.db2.gz	FURZYZRFDVKBCG-KBXCAEBGSA-N	1	1	402.470	1.119	20	0		HDADMO
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000730222302	1076492659	/nfs/dbraw/zinc/49/26/59/1076492659.db2.gz	SZTHGMHUIPMSDE-UHFFFAOYSA-N	1	1	415.494	1.275	20	0		HDADMO
COC(=O)[C@@H](C)C[N@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1	ZINC000730254042	1076499468	/nfs/dbraw/zinc/49/94/68/1076499468.db2.gz	KLRWGOSWXYMIGP-LHSJRXKWSA-N	1	1	403.479	1.779	20	0		HDADMO
COC(=O)[C@@H](C)C[N@@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1	ZINC000730254042	1076499473	/nfs/dbraw/zinc/49/94/73/1076499473.db2.gz	KLRWGOSWXYMIGP-LHSJRXKWSA-N	1	1	403.479	1.779	20	0		HDADMO
CCOC(=O)C1C(C[NH+]2CCC(CCO)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000730261236	1076502183	/nfs/dbraw/zinc/50/21/83/1076502183.db2.gz	WNHJBPXOFGMXEN-FQEVSTJZSA-N	1	1	417.506	1.961	20	0		HDADMO
CCOC(=O)C1=C(C[NH+]2CCC(CCO)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000730261236	1076502196	/nfs/dbraw/zinc/50/21/96/1076502196.db2.gz	WNHJBPXOFGMXEN-FQEVSTJZSA-N	1	1	417.506	1.961	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000730263894	1076504800	/nfs/dbraw/zinc/50/48/00/1076504800.db2.gz	KBSNDUGUKBDRDS-MRXNPFEDSA-N	1	1	404.515	1.114	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730273733	1076517384	/nfs/dbraw/zinc/51/73/84/1076517384.db2.gz	WBIKSKQJRYXSPD-SFHVURJKSA-N	1	1	411.591	1.960	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1	ZINC000730277311	1076519580	/nfs/dbraw/zinc/51/95/80/1076519580.db2.gz	NUONHLRJSFPKBF-AWEZNQCLSA-N	1	1	407.518	1.984	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+](C[C@H](C)O)C(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000730420291	1076575089	/nfs/dbraw/zinc/57/50/89/1076575089.db2.gz	WWPUAMNDNNWQHH-IFXJQAMLSA-N	1	1	405.495	1.958	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+](C[C@H](C)O)C(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000730420291	1076575092	/nfs/dbraw/zinc/57/50/92/1076575092.db2.gz	WWPUAMNDNNWQHH-IFXJQAMLSA-N	1	1	405.495	1.958	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](C[C@H](C)O)C(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000730420291	1076575098	/nfs/dbraw/zinc/57/50/98/1076575098.db2.gz	WWPUAMNDNNWQHH-IFXJQAMLSA-N	1	1	405.495	1.958	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000730559570	1076595082	/nfs/dbraw/zinc/59/50/82/1076595082.db2.gz	HHYDGUMGDNOJDG-FLZZUQBBSA-N	1	1	408.612	1.873	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1	ZINC000730938094	1076698532	/nfs/dbraw/zinc/69/85/32/1076698532.db2.gz	RNQSALZHHQUATB-UHFFFAOYSA-N	1	1	405.495	1.403	20	0		HDADMO
COC(=O)c1ccc(N2CC[N@@H+](CCc3ccc(S(N)(=O)=O)cc3)[C@@H](C)C2)cc1	ZINC000730940174	1076699097	/nfs/dbraw/zinc/69/90/97/1076699097.db2.gz	ZYVNVJYPFAXVJA-INIZCTEOSA-N	1	1	417.531	1.874	20	0		HDADMO
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+](C)CCO)C2=O)cc1	ZINC000731030250	1076708830	/nfs/dbraw/zinc/70/88/30/1076708830.db2.gz	CQTAUDPYURCJKC-VBKFSLOCSA-N	1	1	407.492	1.162	20	0		HDADMO
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+](C)CCO)C2=O)cc1	ZINC000731030250	1076708833	/nfs/dbraw/zinc/70/88/33/1076708833.db2.gz	CQTAUDPYURCJKC-VBKFSLOCSA-N	1	1	407.492	1.162	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000731017986	1076711886	/nfs/dbraw/zinc/71/18/86/1076711886.db2.gz	JPROKSSSUDMDCU-QGZVFWFLSA-N	1	1	416.547	1.448	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1	ZINC000731034575	1076715116	/nfs/dbraw/zinc/71/51/16/1076715116.db2.gz	VQGWZFPJYCDOHO-CYBMUJFWSA-N	1	1	409.430	1.577	20	0		HDADMO
COC(=O)CN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1	ZINC000731107812	1076728342	/nfs/dbraw/zinc/72/83/42/1076728342.db2.gz	GPCWREGVRKLHEJ-LJQANCHMSA-N	1	1	415.538	1.587	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2F)C[C@H](C)O1	ZINC000731133529	1076736683	/nfs/dbraw/zinc/73/66/83/1076736683.db2.gz	BDDPMHNLEPXMSK-DAYGRLMNSA-N	1	1	418.513	1.978	20	0		HDADMO
O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000731134372	1076737086	/nfs/dbraw/zinc/73/70/86/1076737086.db2.gz	JFKKZBGMYGDOAJ-KRWDZBQOSA-N	1	1	404.474	1.960	20	0		HDADMO
CCN1CCN(C(=O)CC2CCN(C(=S)NC[C@@H]3CCC[N@H+]3CC)CC2)CC1	ZINC000731161811	1076740215	/nfs/dbraw/zinc/74/02/15/1076740215.db2.gz	ATEDCETXVJJMSU-IBGZPJMESA-N	1	1	409.644	1.611	20	0		HDADMO
Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nnn1-c1ccc(OC(F)F)cc1	ZINC000731188699	1076742027	/nfs/dbraw/zinc/74/20/27/1076742027.db2.gz	JFJSCEHKNXKMKE-HOCLYGCPSA-N	1	1	407.421	1.770	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cccnc3-n3cccn3)CC2)CC1	ZINC000731180924	1076745258	/nfs/dbraw/zinc/74/52/58/1076745258.db2.gz	YTUIZYOMPABYBC-UHFFFAOYSA-N	1	1	410.522	1.674	20	0		HDADMO
CCOC(=O)c1cn(CN2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nc1C	ZINC000731209325	1076755776	/nfs/dbraw/zinc/75/57/76/1076755776.db2.gz	LZVATZMPTZMMBG-UHFFFAOYSA-N	1	1	405.543	1.592	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(Cn3nc(N(C)C)sc3=S)CC2)CC1	ZINC000731209669	1076755918	/nfs/dbraw/zinc/75/59/18/1076755918.db2.gz	SUUMGYUDGZUXFH-UHFFFAOYSA-N	1	1	412.629	1.964	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCC(=O)N1CCNC(=O)C1	ZINC000731256204	1076771580	/nfs/dbraw/zinc/77/15/80/1076771580.db2.gz	KHDWKJDUWLVOEK-INIZCTEOSA-N	1	1	403.479	1.055	20	0		HDADMO
COc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(S(C)(=O)=O)n1	ZINC001164623653	719079842	/nfs/dbraw/zinc/07/98/42/719079842.db2.gz	KDQZNJWVFHBDIR-IAGOWNOFSA-N	1	1	402.520	1.990	20	0		HDADMO
CN1CCN(c2cccc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)n2)CC1	ZINC001164641798	719266995	/nfs/dbraw/zinc/26/69/95/719266995.db2.gz	WOUWIZARBAPBQG-UHFFFAOYSA-N	1	1	406.494	1.595	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)n2)CC1	ZINC001164656946	719294859	/nfs/dbraw/zinc/29/48/59/719294859.db2.gz	ZRZHRKJSQCNUTB-SBHAEUEKSA-N	1	1	410.522	1.576	20	0		HDADMO
COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1	ZINC001164666479	719418525	/nfs/dbraw/zinc/41/85/25/719418525.db2.gz	CYGRKBFTZPGWSJ-NNTYKDFWSA-N	1	1	402.495	1.772	20	0		HDADMO
C[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)C[C@H]21	ZINC001164668122	719459776	/nfs/dbraw/zinc/45/97/76/719459776.db2.gz	OAVFXLQHRJPUKR-IAGOWNOFSA-N	1	1	410.446	1.680	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1	ZINC001164685831	719720751	/nfs/dbraw/zinc/72/07/51/719720751.db2.gz	NOJIOJOXAIHECV-UHFFFAOYSA-N	1	1	409.918	1.416	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2	ZINC001164683668	719732526	/nfs/dbraw/zinc/73/25/26/719732526.db2.gz	BVTNDAPCOZDKFB-UHFFFAOYSA-N	1	1	417.554	1.739	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cnccc21	ZINC001164699405	719849012	/nfs/dbraw/zinc/84/90/12/719849012.db2.gz	IJECPPWAARVDGQ-ORAYPTAESA-N	1	1	405.886	1.911	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1	ZINC001164699022	719897713	/nfs/dbraw/zinc/89/77/13/719897713.db2.gz	VQRLMQHNVAIKRD-UHFFFAOYSA-N	1	1	422.576	1.923	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)nc3cnccc31)C2	ZINC001164814972	720132069	/nfs/dbraw/zinc/13/20/69/720132069.db2.gz	UUOVPSYJCVVPJS-ZHRRBRCNSA-N	1	1	411.506	1.996	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)C2	ZINC001164814311	720166061	/nfs/dbraw/zinc/16/60/61/720166061.db2.gz	FRLRHXBKYGWRNI-GHTZIAJQSA-N	1	1	422.595	1.953	20	0		HDADMO
CCOC(=O)c1ccc(C)c(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1	ZINC001164716102	720209415	/nfs/dbraw/zinc/20/94/15/720209415.db2.gz	APYFUBPZKJHHQW-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1ccc(C)c(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1	ZINC001164716102	720209423	/nfs/dbraw/zinc/20/94/23/720209423.db2.gz	APYFUBPZKJHHQW-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)Cc1cccnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164810185	720214961	/nfs/dbraw/zinc/21/49/61/720214961.db2.gz	AHFOPZGQYCVKEO-UHFFFAOYSA-N	1	1	413.522	1.994	20	0		HDADMO
CC(C)OC(=O)c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nn1	ZINC001164812643	720215566	/nfs/dbraw/zinc/21/55/66/720215566.db2.gz	LNYHLFPKNHBFFE-UHFFFAOYSA-N	1	1	414.510	1.849	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ncc1C(N)=O)CCC2	ZINC001164813358	720215661	/nfs/dbraw/zinc/21/56/61/720215661.db2.gz	OXCFXFGZGTVKRE-UHFFFAOYSA-N	1	1	405.890	1.036	20	0		HDADMO
CCOC(=O)/C=C\c1cccnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2	ZINC001164719647	720217915	/nfs/dbraw/zinc/21/79/15/720217915.db2.gz	RXWDHFIOIPSCEM-KOIKXXGWSA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)/C=C\c1cccnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2	ZINC001164719647	720217924	/nfs/dbraw/zinc/21/79/24/720217924.db2.gz	RXWDHFIOIPSCEM-KOIKXXGWSA-N	1	1	416.522	1.323	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccnc43)C2)C1	ZINC001164717793	720227562	/nfs/dbraw/zinc/22/75/62/720227562.db2.gz	IJSZJZLPSCVJDB-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccnc43)C2)C1	ZINC001164717793	720227569	/nfs/dbraw/zinc/22/75/69/720227569.db2.gz	IJSZJZLPSCVJDB-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3ncnc(Cl)c3n1)CCC2	ZINC001164813381	720231274	/nfs/dbraw/zinc/23/12/74/720231274.db2.gz	NPLLKUHQCOAVGY-UHFFFAOYSA-N	1	1	414.901	1.880	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)nccc1C(N)=O)CCC2	ZINC001164816886	720244116	/nfs/dbraw/zinc/24/41/16/720244116.db2.gz	NLIRDDRBFSYEBY-UHFFFAOYSA-N	1	1	404.902	1.641	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1	ZINC001164720935	720283965	/nfs/dbraw/zinc/28/39/65/720283965.db2.gz	FQWJVUXAKUQROQ-QFIPXVFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1	ZINC001164720935	720283977	/nfs/dbraw/zinc/28/39/77/720283977.db2.gz	FQWJVUXAKUQROQ-QFIPXVFZSA-N	1	1	410.522	1.512	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CNCC3)CC1	ZINC001164819493	720289967	/nfs/dbraw/zinc/28/99/67/720289967.db2.gz	QXOMBABMJKLEER-ZWKOTPCHSA-N	1	1	418.973	1.687	20	0		HDADMO
Cn1cnc2c1nc(N1CC[C@@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)nc2N1CCOCC1	ZINC001164727838	720360599	/nfs/dbraw/zinc/36/05/99/720360599.db2.gz	UQXUYBMKNFKTFE-MSOLQXFVSA-N	1	1	420.521	1.448	20	0		HDADMO
O=C(NC1CCOCC1)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nn1	ZINC001164734431	720457551	/nfs/dbraw/zinc/45/75/51/720457551.db2.gz	SBBHRUKPWODFEZ-VQTJNVASSA-N	1	1	408.506	1.634	20	0		HDADMO
O=C(NC1CCOCC1)c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nn1	ZINC001164734433	720458827	/nfs/dbraw/zinc/45/88/27/720458827.db2.gz	SBBHRUKPWODFEZ-WOJBJXKFSA-N	1	1	408.506	1.634	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(C(N)=O)n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164834292	720529373	/nfs/dbraw/zinc/52/93/73/720529373.db2.gz	DHFGMARDIVUDCH-IJEWVQPXSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(S(N)(=O)=O)cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164834272	720532932	/nfs/dbraw/zinc/53/29/32/720532932.db2.gz	DFLKNODLXHMISL-SOLBZPMBSA-N	1	1	404.540	1.303	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)C(=O)NC2=O	ZINC001164842781	720596599	/nfs/dbraw/zinc/59/65/99/720596599.db2.gz	VMJRHTJPUYQWGT-XYJFISCASA-N	1	1	408.506	1.848	20	0		HDADMO
COC(=O)c1cc2ccncc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741082	720709312	/nfs/dbraw/zinc/70/93/12/720709312.db2.gz	SPWDHOREMDGUPI-HZPDHXFCSA-N	1	1	406.446	1.548	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(S(N)(=O)=O)n1)CC2	ZINC001164840290	720727476	/nfs/dbraw/zinc/72/74/76/720727476.db2.gz	OPMKVVIBIDARDB-GOSISDBHSA-N	1	1	416.547	1.989	20	0		HDADMO
CCc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)n1	ZINC001164746943	720730828	/nfs/dbraw/zinc/73/08/28/720730828.db2.gz	ZBVJRKZNRDLTLB-ROUUACIJSA-N	1	1	411.510	1.008	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164738913	720742723	/nfs/dbraw/zinc/74/27/23/720742723.db2.gz	GZCWQWRRJJCSPE-HUUCEWRRSA-N	1	1	423.477	1.277	20	0		HDADMO
COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743455	720748319	/nfs/dbraw/zinc/74/83/19/720748319.db2.gz	QFGNYIQZTLZKRY-RYUDHWBXSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743455	720748324	/nfs/dbraw/zinc/74/83/24/720748324.db2.gz	QFGNYIQZTLZKRY-RYUDHWBXSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(Cl)n1	ZINC001164743354	720805203	/nfs/dbraw/zinc/80/52/03/720805203.db2.gz	FPBIFKUZMINAHV-NEPJUHHUSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(Cl)n1	ZINC001164743354	720805207	/nfs/dbraw/zinc/80/52/07/720805207.db2.gz	FPBIFKUZMINAHV-NEPJUHHUSA-N	1	1	412.828	1.815	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1	ZINC001164742166	720812076	/nfs/dbraw/zinc/81/20/76/720812076.db2.gz	CJXGTAFWKSNSDR-IXDOHACOSA-N	1	1	415.929	1.805	20	0		HDADMO
CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164737968	720816700	/nfs/dbraw/zinc/81/67/00/720816700.db2.gz	CSJWKWVCCZFIKU-ZHALLVOQSA-N	1	1	411.510	1.624	20	0		HDADMO
CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1	ZINC001164745145	720821343	/nfs/dbraw/zinc/82/13/43/720821343.db2.gz	WQBQSOGKELWYPD-ZHALLVOQSA-N	1	1	411.510	1.624	20	0		HDADMO
CN(C)C(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164741359	720824053	/nfs/dbraw/zinc/82/40/53/720824053.db2.gz	NMZNDMSGMKCKKB-SLFFLAALSA-N	1	1	409.538	1.754	20	0		HDADMO
O=C1COc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2N1	ZINC001164738022	720827956	/nfs/dbraw/zinc/82/79/56/720827956.db2.gz	DOXFIRCJZQBSIU-LZLYRXPVSA-N	1	1	409.494	1.383	20	0		HDADMO
CCOC(=O)c1nccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745566	720828320	/nfs/dbraw/zinc/82/83/20/720828320.db2.gz	WUVYLMYZPHZZIN-FGTMMUONSA-N	1	1	411.510	1.624	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21	ZINC001164743814	720830296	/nfs/dbraw/zinc/83/02/96/720830296.db2.gz	SNAFRPGUSLSLCT-SLFFLAALSA-N	1	1	419.533	1.904	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc4cc(C(=O)OC)ccc4n3)CC[C@@H]2C1	ZINC001164850934	720839726	/nfs/dbraw/zinc/83/97/26/720839726.db2.gz	FRSMJRSXTDBMAT-APWZRJJASA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc4cc(C(=O)OC)ccc4n3)CC[C@@H]2C1	ZINC001164850940	720840105	/nfs/dbraw/zinc/84/01/05/720840105.db2.gz	FRSMJRSXTDBMAT-VQIMIIECSA-N	1	1	400.479	1.590	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164743534	720842946	/nfs/dbraw/zinc/84/29/46/720842946.db2.gz	IYEHJVBLLKSJPP-YQVWRLOYSA-N	1	1	416.551	1.456	20	0		HDADMO
CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c12	ZINC001164851360	720843096	/nfs/dbraw/zinc/84/30/96/720843096.db2.gz	GUOQMAJBVWJJFJ-GOEBONIOSA-N	1	1	403.483	1.308	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c12	ZINC001164851360	720843098	/nfs/dbraw/zinc/84/30/98/720843098.db2.gz	GUOQMAJBVWJJFJ-GOEBONIOSA-N	1	1	403.483	1.308	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c12	ZINC001164851360	720843100	/nfs/dbraw/zinc/84/31/00/720843100.db2.gz	GUOQMAJBVWJJFJ-GOEBONIOSA-N	1	1	403.483	1.308	20	0		HDADMO
COCCOc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164739535	720848862	/nfs/dbraw/zinc/84/88/62/720848862.db2.gz	AZMRBCPOUHJIJZ-GBESFXJTSA-N	1	1	413.526	1.473	20	0		HDADMO
CN(C)C(=O)c1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164739968	720849782	/nfs/dbraw/zinc/84/97/82/720849782.db2.gz	BEPSHDGYQKTAIF-ZHALLVOQSA-N	1	1	410.526	1.149	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c2c1	ZINC001164856835	720855363	/nfs/dbraw/zinc/85/53/63/720855363.db2.gz	POCVGBRXIDGTOI-XLIONFOSSA-N	1	1	414.506	1.980	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)n1	ZINC001164753568	720861380	/nfs/dbraw/zinc/86/13/80/720861380.db2.gz	YCZQLNKHJQMACZ-ZHALLVOQSA-N	1	1	422.537	1.424	20	0		HDADMO
CCc1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164853623	720865466	/nfs/dbraw/zinc/86/54/66/720865466.db2.gz	HVICTRNQPZAMRN-PKOBYXMFSA-N	1	1	405.543	1.049	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1	ZINC001164851966	720867694	/nfs/dbraw/zinc/86/76/94/720867694.db2.gz	BKLONEZWZZRXJA-APWZRJJASA-N	1	1	420.554	1.732	20	0		HDADMO
NC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1	ZINC001164747900	720878609	/nfs/dbraw/zinc/87/86/09/720878609.db2.gz	CGBJOEONFKDWLE-CVDCTZTESA-N	1	1	422.533	1.726	20	0		HDADMO
NC(=O)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164757477	720884859	/nfs/dbraw/zinc/88/48/59/720884859.db2.gz	VCUZJSKHQFOZJA-WMZHIEFXSA-N	1	1	422.533	1.726	20	0		HDADMO
NC(=O)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164757478	720884959	/nfs/dbraw/zinc/88/49/59/720884959.db2.gz	VCUZJSKHQFOZJA-XXBNENTESA-N	1	1	422.533	1.726	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164861965	720892294	/nfs/dbraw/zinc/89/22/94/720892294.db2.gz	ZSEZPGOLGCHVCF-GDBMZVCRSA-N	1	1	411.934	1.443	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1	ZINC001164867058	721051865	/nfs/dbraw/zinc/05/18/65/721051865.db2.gz	HDVBQNQHCSURJD-WOJBJXKFSA-N	1	1	409.538	1.103	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1	ZINC001164867058	721051875	/nfs/dbraw/zinc/05/18/75/721051875.db2.gz	HDVBQNQHCSURJD-WOJBJXKFSA-N	1	1	409.538	1.103	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164771040	721076735	/nfs/dbraw/zinc/07/67/35/721076735.db2.gz	RDDMSPXVLRWRDK-GJZGRUSLSA-N	1	1	404.902	1.999	20	0		HDADMO
COC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164774162	721109161	/nfs/dbraw/zinc/10/91/61/721109161.db2.gz	ZWGUDFSONIBJQK-LSDHHAIUSA-N	1	1	404.902	1.537	20	0		HDADMO
CN1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1	ZINC001164867651	721109648	/nfs/dbraw/zinc/10/96/48/721109648.db2.gz	ZGCMEKHRJZFRGY-NHCUHLMSSA-N	1	1	408.550	1.708	20	0		HDADMO
CN1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1	ZINC001164867651	721109650	/nfs/dbraw/zinc/10/96/50/721109650.db2.gz	ZGCMEKHRJZFRGY-NHCUHLMSSA-N	1	1	408.550	1.708	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164772224	721159810	/nfs/dbraw/zinc/15/98/10/721159810.db2.gz	UKXBCSRNHHTMRV-IRXDYDNUSA-N	1	1	404.540	1.072	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1	ZINC001164767614	721180678	/nfs/dbraw/zinc/18/06/78/721180678.db2.gz	KEOHYEMPSRRQQC-IRXDYDNUSA-N	1	1	423.521	1.837	20	0		HDADMO
CC(C)OC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nn1	ZINC001164869872	721267105	/nfs/dbraw/zinc/26/71/05/721267105.db2.gz	RJIXIHFLERNBHA-UHFFFAOYSA-N	1	1	419.526	1.049	20	0		HDADMO
C=C(OCC)c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nn1	ZINC001164868987	721273744	/nfs/dbraw/zinc/27/37/44/721273744.db2.gz	IJKFJYAHFKJNLV-UHFFFAOYSA-N	1	1	403.527	1.491	20	0		HDADMO
C=Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1OC	ZINC001164875887	721284101	/nfs/dbraw/zinc/28/41/01/721284101.db2.gz	ZJAHPDKXUCRKNQ-UHFFFAOYSA-N	1	1	423.945	1.789	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(-n4cncn4)n3)C2)C1	ZINC001164785303	721368705	/nfs/dbraw/zinc/36/87/05/721368705.db2.gz	UIANYPBUAGZHBL-NRFANRHFSA-N	1	1	424.509	1.781	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(-n4cncn4)n3)C2)C1	ZINC001164785303	721368709	/nfs/dbraw/zinc/36/87/09/721368709.db2.gz	UIANYPBUAGZHBL-NRFANRHFSA-N	1	1	424.509	1.781	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164886178	721384780	/nfs/dbraw/zinc/38/47/80/721384780.db2.gz	DPGLWDLCXNSMGV-UTKZUKDTSA-N	1	1	406.502	1.773	20	0		HDADMO
CCOC(=O)Cc1cccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164884965	721390805	/nfs/dbraw/zinc/39/08/05/721390805.db2.gz	BEYSDCUSHDAFPR-NFBKMPQASA-N	1	1	416.566	1.953	20	0		HDADMO
CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890546	721398035	/nfs/dbraw/zinc/39/80/35/721398035.db2.gz	OCCFCXMPEPWKCC-GCJKJVERSA-N	1	1	417.554	1.727	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cn1	ZINC001164891373	721407763	/nfs/dbraw/zinc/40/77/63/721407763.db2.gz	VONHMSMPDNJWLZ-DYESRHJHSA-N	1	1	403.527	1.419	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(n4)OCC(=O)N5)C3)O2)CC1	ZINC001164887726	721410106	/nfs/dbraw/zinc/41/01/06/721410106.db2.gz	MSGBEZXBVRKOJY-KKSFZXQISA-N	1	1	401.511	1.178	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)C3)O2)CC1	ZINC001164891354	721415867	/nfs/dbraw/zinc/41/58/67/721415867.db2.gz	VKJCIUPGEGFONA-YCRPNKLZSA-N	1	1	419.957	1.995	20	0		HDADMO
CCNC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164891957	721422099	/nfs/dbraw/zinc/42/20/99/721422099.db2.gz	WZEGQKLPENUABL-GCJKJVERSA-N	1	1	401.555	1.597	20	0		HDADMO
CCCNC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164899895	721433810	/nfs/dbraw/zinc/43/38/10/721433810.db2.gz	ZMRPPANLXXJBTJ-WMZHIEFXSA-N	1	1	415.582	1.987	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(Cn5cncn5)cn4)C3)O2)CC1	ZINC001164899368	721434924	/nfs/dbraw/zinc/43/49/24/721434924.db2.gz	YIZURXCASYTBJI-IFMALSPDSA-N	1	1	411.554	1.487	20	0		HDADMO
CCOC(=O)c1nccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164899839	721438629	/nfs/dbraw/zinc/43/86/29/721438629.db2.gz	ZGKZNNCKOCAOPB-LAUBAEHRSA-N	1	1	403.527	1.419	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1OC	ZINC001164890338	721452620	/nfs/dbraw/zinc/45/26/20/721452620.db2.gz	QXTSDGFVBVRGFL-IIBYNOLFSA-N	1	1	419.526	1.037	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164889146	721453133	/nfs/dbraw/zinc/45/31/33/721453133.db2.gz	NXRNIOJMNCJISC-WIYYLYMNSA-N	1	1	422.595	1.641	20	0		HDADMO
CCOC(=O)c1c[nH]c2cc(N3CCn4cc(CN5CCN(C)CC5)nc4C3)[nH+]cc21	ZINC001164796831	721518141	/nfs/dbraw/zinc/51/81/41/721518141.db2.gz	CZHKDDZZNPSRRW-UHFFFAOYSA-N	1	1	423.521	1.704	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)CC1	ZINC001164922698	721869935	/nfs/dbraw/zinc/86/99/35/721869935.db2.gz	HSZLBBJQXMMAOV-MSOLQXFVSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)CC1	ZINC001164922698	721869937	/nfs/dbraw/zinc/86/99/37/721869937.db2.gz	HSZLBBJQXMMAOV-MSOLQXFVSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)n2)CC1	ZINC001164927006	721872099	/nfs/dbraw/zinc/87/20/99/721872099.db2.gz	UGACTFVMFRFOPB-ZWKOTPCHSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)CC1	ZINC001164927006	721872101	/nfs/dbraw/zinc/87/21/01/721872101.db2.gz	UGACTFVMFRFOPB-ZWKOTPCHSA-N	1	1	402.543	1.081	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)C1	ZINC001164930163	721880586	/nfs/dbraw/zinc/88/05/86/721880586.db2.gz	CIELEZCYNZGIBN-CEXWTWQISA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)C1	ZINC001164930163	721880588	/nfs/dbraw/zinc/88/05/88/721880588.db2.gz	CIELEZCYNZGIBN-CEXWTWQISA-N	1	1	416.570	1.471	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1	ZINC001164931490	721881187	/nfs/dbraw/zinc/88/11/87/721881187.db2.gz	FTPNYRHPYKNDOL-IRXDYDNUSA-N	1	1	400.527	1.127	20	0		HDADMO
C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1	ZINC001164931490	721881189	/nfs/dbraw/zinc/88/11/89/721881189.db2.gz	FTPNYRHPYKNDOL-IRXDYDNUSA-N	1	1	400.527	1.127	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164935479	721881402	/nfs/dbraw/zinc/88/14/02/721881402.db2.gz	WYQBUUKYWXDELK-WDSOQIARSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164935479	721881404	/nfs/dbraw/zinc/88/14/04/721881404.db2.gz	WYQBUUKYWXDELK-WDSOQIARSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164933022	721881524	/nfs/dbraw/zinc/88/15/24/721881524.db2.gz	KVHJSFKIVBEPCF-MOPGFXCFSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164933022	721881525	/nfs/dbraw/zinc/88/15/25/721881525.db2.gz	KVHJSFKIVBEPCF-MOPGFXCFSA-N	1	1	409.600	1.763	20	0		HDADMO
CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]2C1	ZINC001164948844	721990020	/nfs/dbraw/zinc/99/00/20/721990020.db2.gz	FJEWTRDZFDITLI-SJORKVTESA-N	1	1	423.583	1.119	20	0		HDADMO
NS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164958171	722052696	/nfs/dbraw/zinc/05/26/96/722052696.db2.gz	DLEDIWCJHDAUSS-UHFFFAOYSA-N	1	1	417.535	1.243	20	0		HDADMO
Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CNCC2	ZINC001164986001	722100298	/nfs/dbraw/zinc/10/02/98/722100298.db2.gz	XQWRGKLQOHOBMZ-QFBILLFUSA-N	1	1	414.941	1.898	20	0		HDADMO
Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CNCC2	ZINC001164986001	722100301	/nfs/dbraw/zinc/10/03/01/722100301.db2.gz	XQWRGKLQOHOBMZ-QFBILLFUSA-N	1	1	414.941	1.898	20	0		HDADMO
CN1CCN(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1	ZINC001164978359	722102218	/nfs/dbraw/zinc/10/22/18/722102218.db2.gz	GTATXHBIQMTXIR-LEWJYISDSA-N	1	1	423.565	1.351	20	0		HDADMO
CN1CCN(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1	ZINC001164978359	722102219	/nfs/dbraw/zinc/10/22/19/722102219.db2.gz	GTATXHBIQMTXIR-LEWJYISDSA-N	1	1	423.565	1.351	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2C(=O)N2CCCC2)CC3)CC1	ZINC001164996039	722229214	/nfs/dbraw/zinc/22/92/14/722229214.db2.gz	BDQGZJYOKMSCNH-UHFFFAOYSA-N	1	1	421.549	1.465	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1	ZINC001164998130	722230237	/nfs/dbraw/zinc/23/02/37/722230237.db2.gz	YBAKNJLOHLYSQI-UHFFFAOYSA-N	1	1	416.913	1.669	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4ncccc42)CC3)CC1	ZINC001164997063	722230666	/nfs/dbraw/zinc/23/06/66/722230666.db2.gz	NLHXYLDVCAQEJE-UHFFFAOYSA-N	1	1	410.913	1.825	20	0		HDADMO
CCOc1nc(Cl)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164996414	722231941	/nfs/dbraw/zinc/23/19/41/722231941.db2.gz	FWLWGSYPDPWZMQ-UHFFFAOYSA-N	1	1	403.918	1.676	20	0		HDADMO
CC(=O)N[C@@](C)(C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(S(C)(=O)=O)cc1	ZINC001299281582	1073493373	/nfs/dbraw/zinc/49/33/73/1073493373.db2.gz	PJVTWBBNWDVTLK-YLJYHZDGSA-N	1	1	409.552	1.383	20	0		HDADMO
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000429069193	1073507684	/nfs/dbraw/zinc/50/76/84/1073507684.db2.gz	PGEMTHWJIOEBKY-INIZCTEOSA-N	1	1	412.581	1.781	20	0		HDADMO
C[N@H+]1C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[C@@H](c2ccccc2)C1	ZINC001004673032	1073528020	/nfs/dbraw/zinc/52/80/20/1073528020.db2.gz	NPXNDKLBGJIEIC-LVXVCZMBSA-N	1	1	409.530	1.330	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000429084838	1073531678	/nfs/dbraw/zinc/53/16/78/1073531678.db2.gz	XMWDEPHBNVXANC-QAPCUYQASA-N	1	1	400.483	1.161	20	0		HDADMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)C[C@H](C)O1	ZINC000429086273	1073532513	/nfs/dbraw/zinc/53/25/13/1073532513.db2.gz	UOKLYQWFQCCSIN-CALCHBBNSA-N	1	1	420.558	1.715	20	0		HDADMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1	ZINC000671406959	1073532959	/nfs/dbraw/zinc/53/29/59/1073532959.db2.gz	RLQVDODFXZGBAX-FUHWJXTLSA-N	1	1	406.571	1.520	20	0		HDADMO
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H](CCCO)c1ccccc1	ZINC000509109217	1073550436	/nfs/dbraw/zinc/55/04/36/1073550436.db2.gz	IEOZOWLIHOKFPH-HXUWFJFHSA-N	1	1	404.555	1.101	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H](CCCO)c1ccccc1	ZINC000509109217	1073550441	/nfs/dbraw/zinc/55/04/41/1073550441.db2.gz	IEOZOWLIHOKFPH-HXUWFJFHSA-N	1	1	404.555	1.101	20	0		HDADMO
CCOc1ccc(C2(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)CCOCC2)cc1	ZINC000671415877	1073576407	/nfs/dbraw/zinc/57/64/07/1073576407.db2.gz	VWDYZDDNKDNHEN-SFHVURJKSA-N	1	1	403.523	1.460	20	0		HDADMO
Cc1nnc(CN(C)CC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1C	ZINC000509119171	1073590195	/nfs/dbraw/zinc/59/01/95/1073590195.db2.gz	AXYQFUWWGISHRL-CALCHBBNSA-N	1	1	414.554	1.481	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1	ZINC000429112265	1073617166	/nfs/dbraw/zinc/61/71/66/1073617166.db2.gz	GOMLIMTWNSPOSI-UHFFFAOYSA-N	1	1	419.526	1.509	20	0		HDADMO
CCOCCCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673669994	1073625445	/nfs/dbraw/zinc/62/54/45/1073625445.db2.gz	YDCARGDYGSQJCP-FQEVSTJZSA-N	1	1	402.539	1.827	20	0		HDADMO
CCOCCCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673669994	1073625450	/nfs/dbraw/zinc/62/54/50/1073625450.db2.gz	YDCARGDYGSQJCP-FQEVSTJZSA-N	1	1	402.539	1.827	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1	ZINC000673682366	1073638097	/nfs/dbraw/zinc/63/80/97/1073638097.db2.gz	YTLXQTCTZAWJJX-AZUAARDMSA-N	1	1	423.517	1.910	20	0		HDADMO
O=C(NCCc1nc2ccccc2s1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673703390	1073644741	/nfs/dbraw/zinc/64/47/41/1073644741.db2.gz	PNZQESOQKXFPIN-INIZCTEOSA-N	1	1	403.552	1.545	20	0		HDADMO
CC(C)C(=O)N1CCC(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000303003547	1073650195	/nfs/dbraw/zinc/65/01/95/1073650195.db2.gz	NHSBVIPNSWXARH-LJQANCHMSA-N	1	1	400.523	1.969	20	0		HDADMO
CC(C)C(=O)N1CCC(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000303003547	1073650198	/nfs/dbraw/zinc/65/01/98/1073650198.db2.gz	NHSBVIPNSWXARH-LJQANCHMSA-N	1	1	400.523	1.969	20	0		HDADMO
Cc1cc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)ccc1-n1cnnn1	ZINC000673728729	1073663315	/nfs/dbraw/zinc/66/33/15/1073663315.db2.gz	JINODMCBAHCQLJ-UHFFFAOYSA-N	1	1	419.489	1.540	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl	ZINC000509136580	1073702347	/nfs/dbraw/zinc/70/23/47/1073702347.db2.gz	IONAJUDLWDDCND-CYBMUJFWSA-N	1	1	420.938	1.931	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CC2)CC1	ZINC000673763128	1073702855	/nfs/dbraw/zinc/70/28/55/1073702855.db2.gz	YEELXYZJWQAZNL-IBGZPJMESA-N	1	1	418.542	1.470	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CC[C@H](O)C[C@@H]3C)CC2)cc1OC	ZINC000429126937	1073705693	/nfs/dbraw/zinc/70/56/93/1073705693.db2.gz	AJGSVURBAKKTIF-HKUYNNGSSA-N	1	1	405.539	1.502	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000673771930	1073705909	/nfs/dbraw/zinc/70/59/09/1073705909.db2.gz	PFCRSRSLUGUALX-MJGOQNOKSA-N	1	1	408.568	1.716	20	0		HDADMO
CN(C)c1nc(CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cs1	ZINC000673792173	1073737294	/nfs/dbraw/zinc/73/72/94/1073737294.db2.gz	WGYDSUCJHJRNBF-INIZCTEOSA-N	1	1	402.524	1.981	20	0		HDADMO
CN(C)c1nc(CNC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cs1	ZINC000673792173	1073737300	/nfs/dbraw/zinc/73/73/00/1073737300.db2.gz	WGYDSUCJHJRNBF-INIZCTEOSA-N	1	1	402.524	1.981	20	0		HDADMO
CC(=O)N1CC[C@](C)(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000673797534	1073739498	/nfs/dbraw/zinc/73/94/98/1073739498.db2.gz	CKKSWEURKFVKIH-QFIPXVFZSA-N	1	1	415.538	1.094	20	0		HDADMO
CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1	ZINC000429135336	1073740176	/nfs/dbraw/zinc/74/01/76/1073740176.db2.gz	NIUBZQNVWMDUNR-UHFFFAOYSA-N	1	1	417.959	1.996	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC(N)=O)c1	ZINC000429136562	1073744945	/nfs/dbraw/zinc/74/49/45/1073744945.db2.gz	XKEBCVGLTTVOAJ-QFIPXVFZSA-N	1	1	412.490	1.651	20	0		HDADMO
CC(C)c1nc(S(=O)(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c[nH]1	ZINC000673822090	1073767101	/nfs/dbraw/zinc/76/71/01/1073767101.db2.gz	ZZFCERGSLFYQNT-UHFFFAOYSA-N	1	1	407.544	1.204	20	0		HDADMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)C[C@H](C)O1	ZINC000509156802	1073780167	/nfs/dbraw/zinc/78/01/67/1073780167.db2.gz	VMVRFMNDARSWIY-CALCHBBNSA-N	1	1	415.600	1.732	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466541962	1073799184	/nfs/dbraw/zinc/79/91/84/1073799184.db2.gz	SSZGIYJEKYGUOR-WMLDXEAASA-N	1	1	422.489	1.417	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccc(F)cc1	ZINC000673839901	1073805407	/nfs/dbraw/zinc/80/54/07/1073805407.db2.gz	IENDJQSAOGFNBO-YADHBBJMSA-N	1	1	418.557	1.703	20	0		HDADMO
CC[C@@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1c(C)noc1C	ZINC000543494858	1073835083	/nfs/dbraw/zinc/83/50/83/1073835083.db2.gz	ABZMOAJEZWPOLN-MRXNPFEDSA-N	1	1	412.498	1.358	20	0		HDADMO
O=C(NC1CCN(CC(F)F)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000673876605	1073843841	/nfs/dbraw/zinc/84/38/41/1073843841.db2.gz	HDDIZQPGKXQYIG-IEBWSBKVSA-N	1	1	410.509	1.898	20	0		HDADMO
O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000673879196	1073851072	/nfs/dbraw/zinc/85/10/72/1073851072.db2.gz	WQSOQRSHVMLFKS-UYAOXDASSA-N	1	1	421.505	1.345	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(OC[C@@H]2CCCO2)c1	ZINC000466548072	1073851175	/nfs/dbraw/zinc/85/11/75/1073851175.db2.gz	KYWCQJAGRDGIOS-ICSRJNTNSA-N	1	1	404.555	1.988	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3csc(N(C)C)n3)CC2)CC1	ZINC000673882222	1073854572	/nfs/dbraw/zinc/85/45/72/1073854572.db2.gz	YWCYBVOSNOVGLE-UHFFFAOYSA-N	1	1	422.599	1.685	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN[C@@H](C)c2nnnn2-c2ccccc2)CC1	ZINC000543500792	1073864539	/nfs/dbraw/zinc/86/45/39/1073864539.db2.gz	OFRLDYIWXJJGSZ-IBGZPJMESA-N	1	1	419.533	1.966	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1	ZINC000766041461	1073871435	/nfs/dbraw/zinc/87/14/35/1073871435.db2.gz	ALDFDMYSNDICTH-SFHVURJKSA-N	1	1	415.538	1.985	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)CC1=O	ZINC001299288682	1073875059	/nfs/dbraw/zinc/87/50/59/1073875059.db2.gz	ATCKTHSGMMXPRY-OGWOLHLISA-N	1	1	400.479	1.183	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)s3)C2=O)c1	ZINC000673914869	1073885622	/nfs/dbraw/zinc/88/56/22/1073885622.db2.gz	FDYFYLPMNOSFTD-HNNXBMFYSA-N	1	1	411.505	1.308	20	0		HDADMO
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000030523615	1073936273	/nfs/dbraw/zinc/93/62/73/1073936273.db2.gz	ZJOOEMXOXNMECU-HXUWFJFHSA-N	1	1	401.532	1.908	20	0		HDADMO
COC[C@@H](NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)c1ccc(F)cc1	ZINC000466567684	1073955128	/nfs/dbraw/zinc/95/51/28/1073955128.db2.gz	STPWJIUILBJBHX-NHCUHLMSSA-N	1	1	422.545	1.950	20	0		HDADMO
Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1	ZINC000543520931	1073987667	/nfs/dbraw/zinc/98/76/67/1073987667.db2.gz	UAWYUNHERWVPHK-INIZCTEOSA-N	1	1	424.505	1.351	20	0		HDADMO
C[C@@H](NC(=O)C[N@H+](CCO)CCN1CCOCC1)c1ccc(Cl)cc1Cl	ZINC000484424297	1073999433	/nfs/dbraw/zinc/99/94/33/1073999433.db2.gz	ONNGHZMOVBOYTR-CQSZACIVSA-N	1	1	404.338	1.797	20	0		HDADMO
C[C@@H](NC(=O)C[N@@H+](CCO)CCN1CCOCC1)c1ccc(Cl)cc1Cl	ZINC000484424297	1073999438	/nfs/dbraw/zinc/99/94/38/1073999438.db2.gz	ONNGHZMOVBOYTR-CQSZACIVSA-N	1	1	404.338	1.797	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1	ZINC000673985739	1074000316	/nfs/dbraw/zinc/00/03/16/1074000316.db2.gz	OVZNCEKDAWRSNW-PKOBYXMFSA-N	1	1	418.538	1.789	20	0		HDADMO
CCOc1cccnc1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000673989744	1074005289	/nfs/dbraw/zinc/00/52/89/1074005289.db2.gz	SBPQNOCKAATRML-UHFFFAOYSA-N	1	1	411.506	1.943	20	0		HDADMO
COCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673990597	1074010122	/nfs/dbraw/zinc/01/01/22/1074010122.db2.gz	JUIZQIYZRTUYLT-QGZVFWFLSA-N	1	1	411.930	1.502	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CC(=O)N(c2cccc(Br)c2)C1	ZINC000670447486	1074012398	/nfs/dbraw/zinc/01/23/98/1074012398.db2.gz	ZMIOQLOUTAFTMW-YOEHRIQHSA-N	1	1	421.339	1.308	20	0		HDADMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1	ZINC000543536507	1074040501	/nfs/dbraw/zinc/04/05/01/1074040501.db2.gz	PIYYWOSUTMEOOP-MRXNPFEDSA-N	1	1	401.511	1.387	20	0		HDADMO
Cc1ccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(OC[C@@H]2CCCO2)c1	ZINC000466607682	1074083117	/nfs/dbraw/zinc/08/31/17/1074083117.db2.gz	MZVJMDGPVPJALP-UGKGYDQZSA-N	1	1	421.538	1.435	20	0		HDADMO
CCC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000543561279	1074099940	/nfs/dbraw/zinc/09/99/40/1074099940.db2.gz	WRTIMKHORJKNQU-LJQANCHMSA-N	1	1	423.579	1.978	20	0		HDADMO
O=C(Nc1ccc(OCC(F)F)cc1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000674038433	1074110817	/nfs/dbraw/zinc/11/08/17/1074110817.db2.gz	CVHANKWZFJIFDO-QGZVFWFLSA-N	1	1	411.449	1.982	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)C[C@@H](C)O1	ZINC000466623523	1074138945	/nfs/dbraw/zinc/13/89/45/1074138945.db2.gz	RXFCRLOJRMVBBN-QINHECLXSA-N	1	1	403.523	1.696	20	0		HDADMO
Cn1cc[nH+]c1CC1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1	ZINC000429217802	1074155613	/nfs/dbraw/zinc/15/56/13/1074155613.db2.gz	HWVPDRNHHGJZNG-UHFFFAOYSA-N	1	1	411.466	1.597	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000766057124	1074159974	/nfs/dbraw/zinc/15/99/74/1074159974.db2.gz	WAZUAJUIMJZGLQ-UHFFFAOYSA-N	1	1	410.559	1.646	20	0		HDADMO
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)C3)CC[N@H+]1C	ZINC001005103042	1074161540	/nfs/dbraw/zinc/16/15/40/1074161540.db2.gz	GADZAFSMDOFKEO-RKYPPNDESA-N	1	1	401.555	1.920	20	0		HDADMO
O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccnc(O[C@H]2CCOC2)c1	ZINC000543579818	1074166103	/nfs/dbraw/zinc/16/61/03/1074166103.db2.gz	QKSZUAWBUSFGPQ-QHAWAJNXSA-N	1	1	411.502	1.862	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1	ZINC000509218781	1074170154	/nfs/dbraw/zinc/17/01/54/1074170154.db2.gz	PWJCOJJLSMMSLB-RHSMWYFYSA-N	1	1	403.570	1.478	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1	ZINC000509218781	1074170158	/nfs/dbraw/zinc/17/01/58/1074170158.db2.gz	PWJCOJJLSMMSLB-RHSMWYFYSA-N	1	1	403.570	1.478	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)C1	ZINC000674091743	1074180582	/nfs/dbraw/zinc/18/05/82/1074180582.db2.gz	VJFGGRCFPOYGSI-YLJYHZDGSA-N	1	1	404.486	1.581	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Br	ZINC000674094648	1074181713	/nfs/dbraw/zinc/18/17/13/1074181713.db2.gz	QPWAZJRGKOLSLN-CYBMUJFWSA-N	1	1	400.292	1.725	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1	ZINC000674168689	1074201059	/nfs/dbraw/zinc/20/10/59/1074201059.db2.gz	HJPBNGBUZKDPBR-BHIYHBOVSA-N	1	1	408.568	1.620	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)nc(C)n1	ZINC000674189285	1074203789	/nfs/dbraw/zinc/20/37/89/1074203789.db2.gz	KDIYNPKTIVMGPO-HXUWFJFHSA-N	1	1	415.586	1.484	20	0		HDADMO
CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000674191952	1074205271	/nfs/dbraw/zinc/20/52/71/1074205271.db2.gz	JWNCAMGLIDSMNA-MRXNPFEDSA-N	1	1	407.536	1.894	20	0		HDADMO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000674192639	1074206254	/nfs/dbraw/zinc/20/62/54/1074206254.db2.gz	ICWZZZMLFHZXCW-MRXNPFEDSA-N	1	1	402.495	1.326	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](CO)c3ccccc3)cc2)CC1	ZINC000674195333	1074210772	/nfs/dbraw/zinc/21/07/72/1074210772.db2.gz	RNJHFPHFANSOOF-FQEVSTJZSA-N	1	1	424.501	1.253	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCC[C@H](CCO)C2)C[C@@H](C)O1	ZINC000674205614	1074220867	/nfs/dbraw/zinc/22/08/67/1074220867.db2.gz	IUXAQNQFYXDZKF-KZNAEPCWSA-N	1	1	403.523	1.855	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(OC)n1	ZINC000674229828	1074235606	/nfs/dbraw/zinc/23/56/06/1074235606.db2.gz	MPYLCXXGKPLLBV-UHFFFAOYSA-N	1	1	414.466	1.229	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OCC	ZINC000674229308	1074236026	/nfs/dbraw/zinc/23/60/26/1074236026.db2.gz	BIRSBDJSTPCUEO-INIZCTEOSA-N	1	1	405.495	1.603	20	0		HDADMO
CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C	ZINC001626098596	1074246318	/nfs/dbraw/zinc/24/63/18/1074246318.db2.gz	MTWVGBSJPUQXFV-QGZVFWFLSA-N	1	1	424.567	1.828	20	0		HDADMO
COc1ccc(C(=O)NCCN2CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1	ZINC000785471348	1074247629	/nfs/dbraw/zinc/24/76/29/1074247629.db2.gz	GFDRZZIFVAVJKI-QGZVFWFLSA-N	1	1	420.554	1.956	20	0		HDADMO
CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000674268393	1074249593	/nfs/dbraw/zinc/24/95/93/1074249593.db2.gz	BKGXTKOJAIOFGE-QGZVFWFLSA-N	1	1	416.522	1.860	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1	ZINC000674274379	1074254339	/nfs/dbraw/zinc/25/43/39/1074254339.db2.gz	OLDFMKBSYSCDRP-RXVVDRJESA-N	1	1	408.587	1.915	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1	ZINC000674274379	1074254341	/nfs/dbraw/zinc/25/43/41/1074254341.db2.gz	OLDFMKBSYSCDRP-RXVVDRJESA-N	1	1	408.587	1.915	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)CC1	ZINC000674276867	1074258985	/nfs/dbraw/zinc/25/89/85/1074258985.db2.gz	KTBKSFDRIAHMFY-QZTJIDSGSA-N	1	1	416.515	1.079	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)CC1	ZINC000674276867	1074258988	/nfs/dbraw/zinc/25/89/88/1074258988.db2.gz	KTBKSFDRIAHMFY-QZTJIDSGSA-N	1	1	416.515	1.079	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CNC(=O)c3ccncc3)cc2)CC1	ZINC000674325795	1074275252	/nfs/dbraw/zinc/27/52/52/1074275252.db2.gz	GTMFVSAOWQEOCK-UHFFFAOYSA-N	1	1	409.490	1.157	20	0		HDADMO
CCN1CCN(c2ccc(CNC(=O)NCC[NH+]3CCC(OC)CC3)cn2)CC1	ZINC000674327809	1074277308	/nfs/dbraw/zinc/27/73/08/1074277308.db2.gz	BHLFNIWGHPJFLC-UHFFFAOYSA-N	1	1	404.559	1.134	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)NCCCN2CCCS2(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000674329176	1074277889	/nfs/dbraw/zinc/27/78/89/1074277889.db2.gz	YWASXBDTPXTHMM-MJGOQNOKSA-N	1	1	408.568	1.764	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H]3C(C)C)CC2)cc1	ZINC000140472170	1074283382	/nfs/dbraw/zinc/28/33/82/1074283382.db2.gz	OESJFLDZTVTYBT-IBGZPJMESA-N	1	1	409.552	1.649	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CCN2C1=O	ZINC000674376977	1074301942	/nfs/dbraw/zinc/30/19/42/1074301942.db2.gz	JDNNXFVYPDFXJQ-DLBZAZTESA-N	1	1	402.520	1.271	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl	ZINC000674405728	1074315841	/nfs/dbraw/zinc/31/58/41/1074315841.db2.gz	HKIPJWRFRQYTES-UHFFFAOYSA-N	1	1	410.671	1.875	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1	ZINC000674428391	1074316985	/nfs/dbraw/zinc/31/69/85/1074316985.db2.gz	XCWJOEGEMQJWKT-GRXQJBFDSA-N	1	1	407.559	1.764	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1=O	ZINC000674424171	1074325431	/nfs/dbraw/zinc/32/54/31/1074325431.db2.gz	NLKSSXOTFOUFLE-LAUBAEHRSA-N	1	1	401.511	1.528	20	0		HDADMO
C[C@H](CNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@H+]1CCc2ccccc2C1	ZINC000674423609	1074326579	/nfs/dbraw/zinc/32/65/79/1074326579.db2.gz	GFHFXTOHZRHYRR-YBOAYWMSSA-N	1	1	413.522	1.453	20	0		HDADMO
COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000674434177	1074332060	/nfs/dbraw/zinc/33/20/60/1074332060.db2.gz	IYGFRGCORIIMGK-HNNXBMFYSA-N	1	1	415.498	1.305	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1	ZINC000674434910	1074333173	/nfs/dbraw/zinc/33/31/73/1074333173.db2.gz	NOUSPXAXMJCOCH-TXEJJXNPSA-N	1	1	418.382	1.921	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1	ZINC000674438405	1074337000	/nfs/dbraw/zinc/33/70/00/1074337000.db2.gz	IEWGOMBNQLTRKT-PGRDOPGGSA-N	1	1	413.522	1.543	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)[C@H](C)C1	ZINC000674432798	1074343825	/nfs/dbraw/zinc/34/38/25/1074343825.db2.gz	HWDGZKMPKUFDMM-MXTNKPTQSA-N	1	1	423.558	1.143	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3ccc(OC)c(OC)c3)CCN2C1=O	ZINC000674467926	1074365957	/nfs/dbraw/zinc/36/59/57/1074365957.db2.gz	KNTIFAXJVMQDEF-ZBFHGGJFSA-N	1	1	418.494	1.019	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3ccc(OC)c(OC)c3)CCN2C1=O	ZINC000674467926	1074365963	/nfs/dbraw/zinc/36/59/63/1074365963.db2.gz	KNTIFAXJVMQDEF-ZBFHGGJFSA-N	1	1	418.494	1.019	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CCN2C1=O	ZINC000674467537	1074366458	/nfs/dbraw/zinc/36/64/58/1074366458.db2.gz	GHMHJJNGRYDOLR-BXUZGUMPSA-N	1	1	402.278	1.701	20	0		HDADMO
Cc1cc(C)c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(=O)[nH]1	ZINC001005312473	1074369577	/nfs/dbraw/zinc/36/95/77/1074369577.db2.gz	QEMLEIUVIJSCHO-RTYCURFASA-N	1	1	400.523	1.535	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@H]3COC)cc2)CC1	ZINC000674477757	1074375390	/nfs/dbraw/zinc/37/53/90/1074375390.db2.gz	IWRZFFXQLFJLFP-SFHVURJKSA-N	1	1	402.495	1.040	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@@H](O)c1cccc(Br)c1	ZINC001626099908	1074408468	/nfs/dbraw/zinc/40/84/68/1074408468.db2.gz	CJOANOKODBYCDT-INIZCTEOSA-N	1	1	413.312	1.480	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)C1	ZINC000674516779	1074419365	/nfs/dbraw/zinc/41/93/65/1074419365.db2.gz	WAESGNRGSZNZTE-HZPDHXFCSA-N	1	1	405.495	1.284	20	0		HDADMO
CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH+]1CCCC1	ZINC000674567282	1074443195	/nfs/dbraw/zinc/44/31/95/1074443195.db2.gz	LIFUEVYOMRASLP-MRXNPFEDSA-N	1	1	415.943	1.085	20	0		HDADMO
Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)cs1	ZINC000674583038	1074449181	/nfs/dbraw/zinc/44/91/81/1074449181.db2.gz	YGMWQXDZXPSHGQ-MGPUTAFESA-N	1	1	419.551	1.500	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)c1ccc(N3CC[NH+](CC)CC3)c(F)c1)CC2	ZINC000674592433	1074469928	/nfs/dbraw/zinc/46/99/28/1074469928.db2.gz	OJBZAFUYTBKCOQ-UHFFFAOYSA-N	1	1	413.497	1.743	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2ccc3c(c2)OCO3)C1	ZINC000509234074	1074508942	/nfs/dbraw/zinc/50/89/42/1074508942.db2.gz	MANKZNDALZOSEK-OAHLLOKOSA-N	1	1	417.487	1.913	20	0		HDADMO
CO[C@H]1C[C@@H](NC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1(C)C	ZINC000674678921	1074520706	/nfs/dbraw/zinc/52/07/06/1074520706.db2.gz	JYOYWDYJQPZKJI-MOPGFXCFSA-N	1	1	417.554	1.832	20	0		HDADMO
CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(F)c1	ZINC000674673258	1074524600	/nfs/dbraw/zinc/52/46/00/1074524600.db2.gz	FSLFWJIPJFJDQK-MOPGFXCFSA-N	1	1	408.518	1.689	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000674707399	1074535639	/nfs/dbraw/zinc/53/56/39/1074535639.db2.gz	DTIFSHFZOKEEON-SFHVURJKSA-N	1	1	420.554	1.894	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCCO)[C@@H]1CCc2ccccc21	ZINC000674724989	1074541172	/nfs/dbraw/zinc/54/11/72/1074541172.db2.gz	PYZCCIRGMRDFDL-RBBKRZOGSA-N	1	1	416.566	1.474	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1	ZINC000674799702	1074569671	/nfs/dbraw/zinc/56/96/71/1074569671.db2.gz	BEFAHGNITXEBDA-UHFFFAOYSA-N	1	1	400.445	1.579	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1	ZINC000674799702	1074569680	/nfs/dbraw/zinc/56/96/80/1074569680.db2.gz	BEFAHGNITXEBDA-UHFFFAOYSA-N	1	1	400.445	1.579	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1	ZINC000674799702	1074569689	/nfs/dbraw/zinc/56/96/89/1074569689.db2.gz	BEFAHGNITXEBDA-UHFFFAOYSA-N	1	1	400.445	1.579	20	0		HDADMO
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000674808870	1074575263	/nfs/dbraw/zinc/57/52/63/1074575263.db2.gz	KYIYUBAQZQOOBX-IAGOWNOFSA-N	1	1	419.551	1.210	20	0		HDADMO
O[C@H](C[NH+]1CCN(c2ncc(I)cn2)CC1)c1ccccc1	ZINC000766077274	1074580881	/nfs/dbraw/zinc/58/08/81/1074580881.db2.gz	NXJFJIYSPRSKAU-OAHLLOKOSA-N	1	1	410.259	1.937	20	0		HDADMO
CC[C@@H](CCO)CNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674851283	1074592044	/nfs/dbraw/zinc/59/20/44/1074592044.db2.gz	VTHSRBZSXJMHJE-KRWDZBQOSA-N	1	1	405.543	1.427	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N(CCCCO)C2CC2)cc1	ZINC000674851037	1074592170	/nfs/dbraw/zinc/59/21/70/1074592170.db2.gz	QZFKNPABLWUCBP-UHFFFAOYSA-N	1	1	417.554	1.666	20	0		HDADMO
CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1	ZINC000674898637	1074605574	/nfs/dbraw/zinc/60/55/74/1074605574.db2.gz	RZZCSFRBUGCBBL-AUUYWEPGSA-N	1	1	410.474	1.973	20	0		HDADMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC001128872225	1074605612	/nfs/dbraw/zinc/60/56/12/1074605612.db2.gz	KTGYCEXUPGTBHT-MRXNPFEDSA-N	1	1	413.515	1.403	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC000674919856	1074621676	/nfs/dbraw/zinc/62/16/76/1074621676.db2.gz	MBTQVRZRJUNDOV-UXHICEINSA-N	1	1	406.502	1.537	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)c2)CCO1	ZINC000674921255	1074622585	/nfs/dbraw/zinc/62/25/85/1074622585.db2.gz	ZFMOPFVUXMBMMR-QMMLZNLJSA-N	1	1	403.523	1.997	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)c2)CCO1	ZINC000674921255	1074622589	/nfs/dbraw/zinc/62/25/89/1074622589.db2.gz	ZFMOPFVUXMBMMR-QMMLZNLJSA-N	1	1	403.523	1.997	20	0		HDADMO
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000674935158	1074637672	/nfs/dbraw/zinc/63/76/72/1074637672.db2.gz	VQRKXYWVFZHDSN-KBMXLJTQSA-N	1	1	401.429	1.940	20	0		HDADMO
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000674935158	1074637680	/nfs/dbraw/zinc/63/76/80/1074637680.db2.gz	VQRKXYWVFZHDSN-KBMXLJTQSA-N	1	1	401.429	1.940	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c2cccs2)CC1	ZINC000674972352	1074648497	/nfs/dbraw/zinc/64/84/97/1074648497.db2.gz	RVUJHJKMGILPDP-KURKYZTESA-N	1	1	408.568	1.626	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1	ZINC000674979829	1074652363	/nfs/dbraw/zinc/65/23/63/1074652363.db2.gz	IYQXSINYPOBEDO-VQTJNVASSA-N	1	1	416.522	1.876	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CC[C@@]3(CCOC3)C2)cc1	ZINC000674982613	1074657619	/nfs/dbraw/zinc/65/76/19/1074657619.db2.gz	HMDGRERGVJOEGC-JOCHJYFZSA-N	1	1	415.538	1.541	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CC[C@]3(CCOC3)C2)cc1	ZINC000674982615	1074657760	/nfs/dbraw/zinc/65/77/60/1074657760.db2.gz	HMDGRERGVJOEGC-QFIPXVFZSA-N	1	1	415.538	1.541	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1)[NH+]1CCOCC1	ZINC000674999442	1074666347	/nfs/dbraw/zinc/66/63/47/1074666347.db2.gz	ZTLAUBSROPJGPA-AHRSYUTCSA-N	1	1	417.506	1.425	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)nn1-c1ccc(F)cc1F	ZINC000554771398	1074704928	/nfs/dbraw/zinc/70/49/28/1074704928.db2.gz	PPSDKRODKHWBEG-UHFFFAOYSA-N	1	1	405.449	2.340	20	0		HDADMO
COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2	ZINC000675095804	1074707277	/nfs/dbraw/zinc/70/72/77/1074707277.db2.gz	ZNJXJHFWEHPRLW-MOPGFXCFSA-N	1	1	412.538	1.951	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(CN3C(=O)c4ccc(Br)cc4C3=O)CC2)C1	ZINC000766090598	1074708264	/nfs/dbraw/zinc/70/82/64/1074708264.db2.gz	FZDMAYNAXQTRQR-HNNXBMFYSA-N	1	1	421.339	1.714	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)Nc1ncn(C2CCCCC2)n1	ZINC000544517621	1074712168	/nfs/dbraw/zinc/71/21/68/1074712168.db2.gz	PIYDXPSKKKHYGJ-UHFFFAOYSA-N	1	1	418.542	1.873	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nn1C1CCCCC1	ZINC000574005896	1074714512	/nfs/dbraw/zinc/71/45/12/1074714512.db2.gz	DTEFSZYYDZJTRR-KRWDZBQOSA-N	1	1	417.554	2.347	20	0		HDADMO
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000536797484	1074718109	/nfs/dbraw/zinc/71/81/09/1074718109.db2.gz	SEEDASDIPPNLQH-UHFFFAOYSA-N	1	1	405.462	1.634	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)s1	ZINC000561809832	1074726984	/nfs/dbraw/zinc/72/69/84/1074726984.db2.gz	DYZWXJCPQPYKGO-DZGCQCFKSA-N	1	1	403.508	2.428	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)s1	ZINC000467469226	1074727361	/nfs/dbraw/zinc/72/73/61/1074727361.db2.gz	MUBDGHBTCOWWCE-DZGCQCFKSA-N	1	1	403.508	2.428	20	0		HDADMO
COc1ccc(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1OC	ZINC000675132727	1074736834	/nfs/dbraw/zinc/73/68/34/1074736834.db2.gz	PMAIARSSYJMIRW-GOSISDBHSA-N	1	1	405.539	1.504	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCSCC3)CCN2C1=O	ZINC000675140696	1074739550	/nfs/dbraw/zinc/73/95/50/1074739550.db2.gz	JVYDMSGBPOWYNS-KRWDZBQOSA-N	1	1	417.535	1.736	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1[C@@H](C)C1CC1	ZINC000583958139	1074740261	/nfs/dbraw/zinc/74/02/61/1074740261.db2.gz	CAIMPLLOMBXZKB-KRWDZBQOSA-N	1	1	417.554	2.252	20	0		HDADMO
Cc1cc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(C)n1CC(F)(F)F	ZINC000675143849	1074742389	/nfs/dbraw/zinc/74/23/89/1074742389.db2.gz	FUOKHVNIBIFOGV-AWEZNQCLSA-N	1	1	409.474	1.858	20	0		HDADMO
C[NH+]1CCN(CC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1	ZINC000675147952	1074744280	/nfs/dbraw/zinc/74/42/80/1074744280.db2.gz	VGBZUNVBMDTTAO-ZDUSSCGKSA-N	1	1	405.852	1.696	20	0		HDADMO
C[NH+]1CCN(CC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1	ZINC000675147949	1074744484	/nfs/dbraw/zinc/74/44/84/1074744484.db2.gz	VGBZUNVBMDTTAO-CYBMUJFWSA-N	1	1	405.852	1.696	20	0		HDADMO
Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)C2=O)cc1	ZINC000675189544	1074752675	/nfs/dbraw/zinc/75/26/75/1074752675.db2.gz	PHGJYWZLRPWLIC-RTBURBONSA-N	1	1	400.523	1.011	20	0		HDADMO
Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)C2=O)cc1	ZINC000675189544	1074752681	/nfs/dbraw/zinc/75/26/81/1074752681.db2.gz	PHGJYWZLRPWLIC-RTBURBONSA-N	1	1	400.523	1.011	20	0		HDADMO
Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)cc1	ZINC000675189506	1074752724	/nfs/dbraw/zinc/75/27/24/1074752724.db2.gz	KGCLUGKPMRCFNJ-AABGKKOBSA-N	1	1	412.534	1.155	20	0		HDADMO
CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1=O	ZINC000429322283	1074754412	/nfs/dbraw/zinc/75/44/12/1074754412.db2.gz	JSRFNCXWXIIIHJ-QRVBRYPASA-N	1	1	402.539	1.568	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000675220078	1074761486	/nfs/dbraw/zinc/76/14/86/1074761486.db2.gz	ZLLLUPYJDUTLPH-LJQANCHMSA-N	1	1	423.579	1.583	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cccn4c(=O)[nH]nc34)c2)C1	ZINC000509319172	1074769654	/nfs/dbraw/zinc/76/96/54/1074769654.db2.gz	MTZSAIKOQKQFOM-MRXNPFEDSA-N	1	1	408.462	1.062	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000675240334	1074769753	/nfs/dbraw/zinc/76/97/53/1074769753.db2.gz	GJKMAIBSGZJQKN-IBGZPJMESA-N	1	1	412.542	1.577	20	0		HDADMO
CCOc1cc(Cl)ccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000675263309	1074773678	/nfs/dbraw/zinc/77/36/78/1074773678.db2.gz	DTAVPXGJMORZDS-INIZCTEOSA-N	1	1	408.930	1.916	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000675252529	1074778318	/nfs/dbraw/zinc/77/83/18/1074778318.db2.gz	XUXLABBZASHEAA-QGZVFWFLSA-N	1	1	401.536	1.912	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000675252529	1074778331	/nfs/dbraw/zinc/77/83/31/1074778331.db2.gz	XUXLABBZASHEAA-QGZVFWFLSA-N	1	1	401.536	1.912	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1	ZINC000429243988	1074778909	/nfs/dbraw/zinc/77/89/09/1074778909.db2.gz	CYRNMAYIJPWAQW-WMLDXEAASA-N	1	1	407.536	1.360	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1	ZINC000429243988	1074778915	/nfs/dbraw/zinc/77/89/15/1074778915.db2.gz	CYRNMAYIJPWAQW-WMLDXEAASA-N	1	1	407.536	1.360	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000675291909	1074782408	/nfs/dbraw/zinc/78/24/08/1074782408.db2.gz	WQSVENLCIANVSK-CPUCHLNUSA-N	1	1	422.476	1.423	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000675291911	1074782551	/nfs/dbraw/zinc/78/25/51/1074782551.db2.gz	WQSVENLCIANVSK-KEYYUXOJSA-N	1	1	422.476	1.423	20	0		HDADMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000675290924	1074782600	/nfs/dbraw/zinc/78/26/00/1074782600.db2.gz	FWORZXXYAVHROR-MOPGFXCFSA-N	1	1	418.513	1.376	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1)[NH+]1CCOCC1	ZINC000554748416	1074786144	/nfs/dbraw/zinc/78/61/44/1074786144.db2.gz	AGIXNVROVVUREX-LPHOPBHVSA-N	1	1	419.570	2.354	20	0		HDADMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)Nc1ccn(-c2ccccc2)n1	ZINC000498649872	1074804319	/nfs/dbraw/zinc/80/43/19/1074804319.db2.gz	OMERDFCXOWJNJA-UHFFFAOYSA-N	1	1	419.485	1.959	20	0		HDADMO
O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000675335769	1074805182	/nfs/dbraw/zinc/80/51/82/1074805182.db2.gz	SLHVXTRSJWUIGE-UHFFFAOYSA-N	1	1	406.530	1.789	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675326777	1074808022	/nfs/dbraw/zinc/80/80/22/1074808022.db2.gz	ZXKICLDEIXIXQK-JLZZUVOBSA-N	1	1	404.898	1.160	20	0		HDADMO
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1nc2cc(Cl)ccn2n1	ZINC000582934244	1074811654	/nfs/dbraw/zinc/81/16/54/1074811654.db2.gz	GRSLCYJEVUYOTE-UHFFFAOYSA-N	1	1	400.870	2.537	20	0		HDADMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1nc2cc(Cl)ccn2n1	ZINC000583758418	1074815670	/nfs/dbraw/zinc/81/56/70/1074815670.db2.gz	IDHPGGCNCOCQLF-MRXNPFEDSA-N	1	1	400.870	2.271	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@H]21	ZINC000766109888	1074817045	/nfs/dbraw/zinc/81/70/45/1074817045.db2.gz	QPSWFAUIMJLONV-IUODEOHRSA-N	1	1	405.300	1.981	20	0		HDADMO
C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1nnnn1CC1CCOCC1	ZINC000766113262	1074820467	/nfs/dbraw/zinc/82/04/67/1074820467.db2.gz	JIVTVOZXBGFJMM-CYBMUJFWSA-N	1	1	411.507	1.601	20	0		HDADMO
O=C(NCc1c[nH+]c2n1CCCC2)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000560215821	1074820640	/nfs/dbraw/zinc/82/06/40/1074820640.db2.gz	IIGQIVDAFLLHCP-UHFFFAOYSA-N	1	1	413.869	1.768	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCC(C)(O)CC2)cc1	ZINC000675367639	1074822108	/nfs/dbraw/zinc/82/21/08/1074822108.db2.gz	SEIXYIUIYIECOP-UHFFFAOYSA-N	1	1	403.527	1.276	20	0		HDADMO
Cc1cc(NC(=O)CCN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)no1	ZINC000501987357	1075094811	/nfs/dbraw/zinc/09/48/11/1075094811.db2.gz	VRRROGKKQAYFRF-NRFANRHFSA-N	1	1	411.462	1.898	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC[N@@H+]1CCO	ZINC000429332418	1075096024	/nfs/dbraw/zinc/09/60/24/1075096024.db2.gz	XBSJMHGXQULTEY-MRXNPFEDSA-N	1	1	404.511	1.468	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC[N@H+]1CCO	ZINC000429332418	1075096026	/nfs/dbraw/zinc/09/60/26/1075096026.db2.gz	XBSJMHGXQULTEY-MRXNPFEDSA-N	1	1	404.511	1.468	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1	ZINC000429247856	1075116400	/nfs/dbraw/zinc/11/64/00/1075116400.db2.gz	XPVZSWACZIDWPI-SFHVURJKSA-N	1	1	407.580	1.648	20	0		HDADMO
CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000509331300	1075120735	/nfs/dbraw/zinc/12/07/35/1075120735.db2.gz	MBELYLFKUIJBGF-GFCCVEGCSA-N	1	1	419.345	1.386	20	0		HDADMO
CN(CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ncnc2nc[nH]c21	ZINC000429341650	1075122532	/nfs/dbraw/zinc/12/25/32/1075122532.db2.gz	QETDPZZYIPHQGM-KRWDZBQOSA-N	1	1	409.494	1.196	20	0		HDADMO
CN(CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ncnc2[nH]cnc21	ZINC000429341650	1075122536	/nfs/dbraw/zinc/12/25/36/1075122536.db2.gz	QETDPZZYIPHQGM-KRWDZBQOSA-N	1	1	409.494	1.196	20	0		HDADMO
CN(CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ncnc2[nH]cnc21	ZINC000429341650	1075122538	/nfs/dbraw/zinc/12/25/38/1075122538.db2.gz	QETDPZZYIPHQGM-KRWDZBQOSA-N	1	1	409.494	1.196	20	0		HDADMO
CCCN1CCC[C@@H]1C(=O)Nc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+]1CCC	ZINC000477794725	1075123441	/nfs/dbraw/zinc/12/34/41/1075123441.db2.gz	OWUQHLUUHJEKMK-ZWKOTPCHSA-N	1	1	404.559	1.724	20	0		HDADMO
CCCN1CCC[C@@H]1C(=O)Nc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@H+]1CCC	ZINC000477794725	1075123443	/nfs/dbraw/zinc/12/34/43/1075123443.db2.gz	OWUQHLUUHJEKMK-ZWKOTPCHSA-N	1	1	404.559	1.724	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1	ZINC000501904972	1075126578	/nfs/dbraw/zinc/12/65/78/1075126578.db2.gz	SZILUYQPKYDVDF-XHSDSOJGSA-N	1	1	410.540	1.755	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1	ZINC000501904972	1075126580	/nfs/dbraw/zinc/12/65/80/1075126580.db2.gz	SZILUYQPKYDVDF-XHSDSOJGSA-N	1	1	410.540	1.755	20	0		HDADMO
COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000429342420	1075128351	/nfs/dbraw/zinc/12/83/51/1075128351.db2.gz	YLDVQWYQOLRDLZ-GFCCVEGCSA-N	1	1	411.455	1.029	20	0		HDADMO
COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000429342420	1075128355	/nfs/dbraw/zinc/12/83/55/1075128355.db2.gz	YLDVQWYQOLRDLZ-GFCCVEGCSA-N	1	1	411.455	1.029	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1	ZINC000675404846	1075129640	/nfs/dbraw/zinc/12/96/40/1075129640.db2.gz	VIALUVQGTIKBBP-AZUAARDMSA-N	1	1	424.549	1.669	20	0		HDADMO
COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1	ZINC000539642857	1075137323	/nfs/dbraw/zinc/13/73/23/1075137323.db2.gz	BYDVFFLAJSZZNK-UHFFFAOYSA-N	1	1	407.902	1.857	20	0		HDADMO
COCCOC[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1	ZINC000670525516	1075147541	/nfs/dbraw/zinc/14/75/41/1075147541.db2.gz	DFYRJGIABHWRLB-ZWKOTPCHSA-N	1	1	407.511	1.434	20	0		HDADMO
O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000670526905	1075149342	/nfs/dbraw/zinc/14/93/42/1075149342.db2.gz	JRQMONLVHKOEIM-SFHVURJKSA-N	1	1	406.571	1.271	20	0		HDADMO
CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccnn1C	ZINC000670527158	1075151522	/nfs/dbraw/zinc/15/15/22/1075151522.db2.gz	IHVNOPXUYUIYJH-GOSISDBHSA-N	1	1	419.570	1.427	20	0		HDADMO
Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1	ZINC000543627805	1075151603	/nfs/dbraw/zinc/15/16/03/1075151603.db2.gz	HESLCCGGVMFYEW-HUUCEWRRSA-N	1	1	417.574	1.643	20	0		HDADMO
CS(=O)(=O)C1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000675449689	1075154334	/nfs/dbraw/zinc/15/43/34/1075154334.db2.gz	UOERFYKIKCRBHB-KRWDZBQOSA-N	1	1	408.524	1.177	20	0		HDADMO
CS(=O)(=O)C1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000675449689	1075154335	/nfs/dbraw/zinc/15/43/35/1075154335.db2.gz	UOERFYKIKCRBHB-KRWDZBQOSA-N	1	1	408.524	1.177	20	0		HDADMO
CS(=O)(=O)C1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000675449690	1075154340	/nfs/dbraw/zinc/15/43/40/1075154340.db2.gz	UOERFYKIKCRBHB-QGZVFWFLSA-N	1	1	408.524	1.177	20	0		HDADMO
CS(=O)(=O)C1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000675449690	1075154342	/nfs/dbraw/zinc/15/43/42/1075154342.db2.gz	UOERFYKIKCRBHB-QGZVFWFLSA-N	1	1	408.524	1.177	20	0		HDADMO
O=C(Nc1ccn(-c2ccccc2)n1)C(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000589805770	1075155857	/nfs/dbraw/zinc/15/58/57/1075155857.db2.gz	ZBLULMNVOZSTIU-UHFFFAOYSA-N	1	1	409.515	2.259	20	0		HDADMO
CCOc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ccn1	ZINC001005971362	1075156155	/nfs/dbraw/zinc/15/61/55/1075156155.db2.gz	FMVHJUKIHOELKA-FXXCCUJSSA-N	1	1	402.495	1.061	20	0		HDADMO
CCOc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ccn1	ZINC001005971362	1075156156	/nfs/dbraw/zinc/15/61/56/1075156156.db2.gz	FMVHJUKIHOELKA-FXXCCUJSSA-N	1	1	402.495	1.061	20	0		HDADMO
Cc1ccc(OCC[NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1	ZINC000766164375	1075157743	/nfs/dbraw/zinc/15/77/43/1075157743.db2.gz	RLDJSIZZKPGYQM-UHFFFAOYSA-N	1	1	403.548	1.970	20	0		HDADMO
O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C(=O)N[C@H]2C=CCCC2)ccc1F	ZINC000466680251	1075159024	/nfs/dbraw/zinc/15/90/24/1075159024.db2.gz	QTTHVHMLLWTCIM-HNNXBMFYSA-N	1	1	418.469	1.650	20	0		HDADMO
CCC[C@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@H+]1Cc1ccccc1	ZINC000537259242	1075161789	/nfs/dbraw/zinc/16/17/89/1075161789.db2.gz	UWAQHKBYELZPQY-SFHVURJKSA-N	1	1	413.526	1.885	20	0		HDADMO
COCCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1	ZINC000466680313	1075170311	/nfs/dbraw/zinc/17/03/11/1075170311.db2.gz	RFHBAWRUKQIANT-QFBILLFUSA-N	1	1	412.490	1.825	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(S(C)(=O)=O)CC2)CC1	ZINC000675480791	1075171330	/nfs/dbraw/zinc/17/13/30/1075171330.db2.gz	XXLDYUZLUOCTTN-UHFFFAOYSA-N	1	1	422.595	1.543	20	0		HDADMO
O=C(CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000675497061	1075177340	/nfs/dbraw/zinc/17/73/40/1075177340.db2.gz	VDCRTFDCNIDQRO-INIZCTEOSA-N	1	1	419.917	1.441	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1	ZINC000675497053	1075177347	/nfs/dbraw/zinc/17/73/47/1075177347.db2.gz	UPCSWFWEWFEPMM-MOPGFXCFSA-N	1	1	405.587	1.635	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1	ZINC000675497053	1075177350	/nfs/dbraw/zinc/17/73/50/1075177350.db2.gz	UPCSWFWEWFEPMM-MOPGFXCFSA-N	1	1	405.587	1.635	20	0		HDADMO
Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000675496921	1075178522	/nfs/dbraw/zinc/17/85/22/1075178522.db2.gz	YMTIXTIPIAHLPV-KRWDZBQOSA-N	1	1	417.489	1.235	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)CC1	ZINC000543633180	1075183557	/nfs/dbraw/zinc/18/35/57/1075183557.db2.gz	APDWJNOSBWSPQB-UHFFFAOYSA-N	1	1	410.540	1.622	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)no1	ZINC000675519873	1075184810	/nfs/dbraw/zinc/18/48/10/1075184810.db2.gz	NKDBTLCXWVVVNP-QZTJIDSGSA-N	1	1	400.479	1.971	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1	ZINC000675519873	1075184815	/nfs/dbraw/zinc/18/48/15/1075184815.db2.gz	NKDBTLCXWVVVNP-QZTJIDSGSA-N	1	1	400.479	1.971	20	0		HDADMO
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21	ZINC000675511944	1075191193	/nfs/dbraw/zinc/19/11/93/1075191193.db2.gz	ZUCWUFBMCROQMR-OAHLLOKOSA-N	1	1	420.473	1.846	20	0		HDADMO
O=C(Nc1ccn(CCN2CCOCC2)n1)c1cnn(-c2cc[nH+]cc2)c1C(F)F	ZINC000469397391	1075191853	/nfs/dbraw/zinc/19/18/53/1075191853.db2.gz	KDRPKCGZUUCPBK-UHFFFAOYSA-N	1	1	417.420	1.986	20	0		HDADMO
CC(=O)Nc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc(C(F)(F)F)c1	ZINC000675529937	1075200765	/nfs/dbraw/zinc/20/07/65/1075200765.db2.gz	ZKDSRLMOEYVBNO-UHFFFAOYSA-N	1	1	400.401	1.510	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675557888	1075202356	/nfs/dbraw/zinc/20/23/56/1075202356.db2.gz	ADLABKQXDLJRIK-SFHVURJKSA-N	1	1	407.559	1.067	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)no1	ZINC000470510845	1075204445	/nfs/dbraw/zinc/20/44/45/1075204445.db2.gz	KPOCMMWRVDFZON-UKRRQHHQSA-N	1	1	410.540	1.755	20	0		HDADMO
O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000675578769	1075211132	/nfs/dbraw/zinc/21/11/32/1075211132.db2.gz	IAASPGFZXXEMLU-WIYYLYMNSA-N	1	1	424.501	1.487	20	0		HDADMO
O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCC[N@H+]1Cc1ccccn1	ZINC000675578769	1075211136	/nfs/dbraw/zinc/21/11/36/1075211136.db2.gz	IAASPGFZXXEMLU-WIYYLYMNSA-N	1	1	424.501	1.487	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1	ZINC000509353184	1075214763	/nfs/dbraw/zinc/21/47/63/1075214763.db2.gz	AXYZKMDJPBMSKU-AWEZNQCLSA-N	1	1	403.570	1.478	20	0		HDADMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CCOC)n1	ZINC000444514724	1075215525	/nfs/dbraw/zinc/21/55/25/1075215525.db2.gz	HUYOCQZCFGSYKA-LJQANCHMSA-N	1	1	413.522	1.839	20	0		HDADMO
CC[C@@](C)(CCO)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000675567755	1075217806	/nfs/dbraw/zinc/21/78/06/1075217806.db2.gz	DFCUSCKRVLLNDT-NRFANRHFSA-N	1	1	405.543	1.569	20	0		HDADMO
COC(=O)c1cc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)ccn1	ZINC000429363090	1075217922	/nfs/dbraw/zinc/21/79/22/1075217922.db2.gz	IKKGHPLUJZMUEI-GOSISDBHSA-N	1	1	410.474	1.496	20	0		HDADMO
CC[C@](C)(CCO)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000675567757	1075217875	/nfs/dbraw/zinc/21/78/75/1075217875.db2.gz	DFCUSCKRVLLNDT-OAQYLSRUSA-N	1	1	405.543	1.569	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429363026	1075218498	/nfs/dbraw/zinc/21/84/98/1075218498.db2.gz	CIGUGJUHZVDTDV-JKSUJKDBSA-N	1	1	420.579	1.418	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1	ZINC000609559418	1075220413	/nfs/dbraw/zinc/22/04/13/1075220413.db2.gz	IWVXFEAWXSQDRC-DOTOQJQBSA-N	1	1	423.583	1.670	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)no1	ZINC000609559418	1075220416	/nfs/dbraw/zinc/22/04/16/1075220416.db2.gz	IWVXFEAWXSQDRC-DOTOQJQBSA-N	1	1	423.583	1.670	20	0		HDADMO
COc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC	ZINC000675605283	1075221449	/nfs/dbraw/zinc/22/14/49/1075221449.db2.gz	LOIBRRVIRXBTAN-GOSISDBHSA-N	1	1	418.538	1.061	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466688215	1075221437	/nfs/dbraw/zinc/22/14/37/1075221437.db2.gz	FLRXQDYBMMJCIT-YJBOKZPZSA-N	1	1	410.474	1.268	20	0		HDADMO
COc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC	ZINC000675605283	1075221456	/nfs/dbraw/zinc/22/14/56/1075221456.db2.gz	LOIBRRVIRXBTAN-GOSISDBHSA-N	1	1	418.538	1.061	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)no1	ZINC000448200559	1075222847	/nfs/dbraw/zinc/22/28/47/1075222847.db2.gz	FFLUDAAXONQAJQ-ZMSDIMECSA-N	1	1	406.552	2.519	20	0		HDADMO
CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1	ZINC000466690898	1075228048	/nfs/dbraw/zinc/22/80/48/1075228048.db2.gz	SCYRQCCODKUOBA-YJBOKZPZSA-N	1	1	424.501	1.773	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000550838611	1075229085	/nfs/dbraw/zinc/22/90/85/1075229085.db2.gz	HXQWHUHBOZXRBF-CQSZACIVSA-N	1	1	401.433	1.619	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3OCC(F)F)CC2)C1	ZINC000675594284	1075231819	/nfs/dbraw/zinc/23/18/19/1075231819.db2.gz	SDTBIJNDEKAGBU-OAHLLOKOSA-N	1	1	410.465	1.507	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)Nc1cnn(CC2CC2)c1	ZINC000675595507	1075232686	/nfs/dbraw/zinc/23/26/86/1075232686.db2.gz	MZMDDRSTWCVTGX-KRWDZBQOSA-N	1	1	410.522	1.559	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1	ZINC000497874833	1075232835	/nfs/dbraw/zinc/23/28/35/1075232835.db2.gz	QYVDSERJQHFISR-UHFFFAOYSA-N	1	1	424.549	1.612	20	0		HDADMO
C[NH+]1CCC(CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)(N2CCCCC2)CC1	ZINC000675594859	1075233359	/nfs/dbraw/zinc/23/33/59/1075233359.db2.gz	GBMRJZWYCKMDMN-UHFFFAOYSA-N	1	1	402.543	1.298	20	0		HDADMO
COc1ccc(-c2nc([C@@H]3C[N@H+](C)CCN3C)no2)cc1S(=O)(=O)NC(C)C	ZINC000547205723	1075236273	/nfs/dbraw/zinc/23/62/73/1075236273.db2.gz	WRPMAVDJQHCCSC-AWEZNQCLSA-N	1	1	409.512	1.350	20	0		HDADMO
COc1ccc(-c2nc([C@@H]3C[N@@H+](C)CCN3C)no2)cc1S(=O)(=O)NC(C)C	ZINC000547205723	1075236278	/nfs/dbraw/zinc/23/62/78/1075236278.db2.gz	WRPMAVDJQHCCSC-AWEZNQCLSA-N	1	1	409.512	1.350	20	0		HDADMO
COc1ccc(-c2nc(C(=O)N(C)CC(=O)N3CC[NH+](C)CC3)cs2)cc1OC	ZINC000675630187	1075243566	/nfs/dbraw/zinc/24/35/66/1075243566.db2.gz	DBECFJNDQXZOLN-UHFFFAOYSA-N	1	1	418.519	1.673	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCc2ccc(F)cn2)cc1	ZINC000675688827	1075254898	/nfs/dbraw/zinc/25/48/98/1075254898.db2.gz	BLXODPYOIDJHGJ-UHFFFAOYSA-N	1	1	414.485	1.753	20	0		HDADMO
CNS(=O)(=O)c1cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1C	ZINC000429373626	1075256704	/nfs/dbraw/zinc/25/67/04/1075256704.db2.gz	ADHQAPVJDRFUQF-HNNXBMFYSA-N	1	1	408.568	1.648	20	0		HDADMO
CN(C(=O)COCC(=O)NCc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000470674066	1075257706	/nfs/dbraw/zinc/25/77/06/1075257706.db2.gz	SIIJEDYFHCBSRH-OAQYLSRUSA-N	1	1	410.518	1.837	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H](Nc2ccccc2)C1	ZINC000675714221	1075259643	/nfs/dbraw/zinc/25/96/43/1075259643.db2.gz	ZHRGJVVAHCOGJI-LEWJYISDSA-N	1	1	401.555	1.679	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1NS(C)(=O)=O	ZINC000675757807	1075265259	/nfs/dbraw/zinc/26/52/59/1075265259.db2.gz	SCCJMSQVATXLLI-CJNGLKHVSA-N	1	1	415.581	1.744	20	0		HDADMO
CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1	ZINC000675760022	1075266071	/nfs/dbraw/zinc/26/60/71/1075266071.db2.gz	DJHCIKKJXGPZDD-UHFFFAOYSA-N	1	1	402.520	1.580	20	0		HDADMO
C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000675742407	1075266808	/nfs/dbraw/zinc/26/68/08/1075266808.db2.gz	OLPSFAKUIVUITH-GOSISDBHSA-N	1	1	424.611	1.384	20	0		HDADMO
CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000429377896	1075270222	/nfs/dbraw/zinc/27/02/22/1075270222.db2.gz	FYEIOVNKSABOEG-YVSFHVDLSA-N	1	1	402.557	1.320	20	0		HDADMO
CCCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000429377896	1075270224	/nfs/dbraw/zinc/27/02/24/1075270224.db2.gz	FYEIOVNKSABOEG-YVSFHVDLSA-N	1	1	402.557	1.320	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)C(C3CC3)C3CC3)n2)c1C	ZINC000434843810	1075277273	/nfs/dbraw/zinc/27/72/73/1075277273.db2.gz	XHPQSDAMTVFIRD-UHFFFAOYSA-N	1	1	412.494	1.932	20	0		HDADMO
COc1cccc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CCO2)c1	ZINC000675821635	1075277540	/nfs/dbraw/zinc/27/75/40/1075277540.db2.gz	KFLJGWAXUNGDSP-RXVVDRJESA-N	1	1	402.539	1.947	20	0		HDADMO
COc1cccc([C@@H]2CN(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CCO2)c1	ZINC000675821635	1075277545	/nfs/dbraw/zinc/27/75/45/1075277545.db2.gz	KFLJGWAXUNGDSP-RXVVDRJESA-N	1	1	402.539	1.947	20	0		HDADMO
COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1S(=O)(=O)NC1CCCC1	ZINC001129073745	1075278603	/nfs/dbraw/zinc/27/86/03/1075278603.db2.gz	IQHOQZIQRBYDBT-WBVHZDCISA-N	1	1	407.536	1.692	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCc4cc(F)ccc43)n2)c1C	ZINC000572082749	1075278741	/nfs/dbraw/zinc/27/87/41/1075278741.db2.gz	VXNGZDDGXHPBFK-UHFFFAOYSA-N	1	1	424.436	2.014	20	0		HDADMO
O=S(=O)(NCC1CC1)c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc1	ZINC000541933433	1075278747	/nfs/dbraw/zinc/27/87/47/1075278747.db2.gz	LVZXEVMBSIUXGR-IBGZPJMESA-N	1	1	416.547	1.949	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O	ZINC000675826655	1075279027	/nfs/dbraw/zinc/27/90/27/1075279027.db2.gz	PLNRNUONQRNORJ-ROUUACIJSA-N	1	1	407.559	1.162	20	0		HDADMO
COc1cccc([C@H]2CN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CCO2)c1	ZINC000675827281	1075279219	/nfs/dbraw/zinc/27/92/19/1075279219.db2.gz	ZBKCMKXFNUAOHL-PZJWPPBQSA-N	1	1	418.538	1.185	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[N@H+]1Cc1ccccc1	ZINC000466701865	1075282129	/nfs/dbraw/zinc/28/21/29/1075282129.db2.gz	GZHOKAOGWSLYGU-RHSMWYFYSA-N	1	1	408.458	1.735	20	0		HDADMO
Cc1ccc(Cc2nnc(NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)s2)cc1	ZINC000438067006	1075286928	/nfs/dbraw/zinc/28/69/28/1075286928.db2.gz	NLIKMBOCIHKCJZ-LJQANCHMSA-N	1	1	405.524	1.642	20	0		HDADMO
O=S(=O)([C@@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1)N1CCCC1	ZINC000509371592	1075286981	/nfs/dbraw/zinc/28/69/81/1075286981.db2.gz	JTNCRTGLRNGKAB-OAQYLSRUSA-N	1	1	406.596	1.699	20	0		HDADMO
O=S(=O)([C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1)N1CCCC1	ZINC000509371592	1075286985	/nfs/dbraw/zinc/28/69/85/1075286985.db2.gz	JTNCRTGLRNGKAB-OAQYLSRUSA-N	1	1	406.596	1.699	20	0		HDADMO
CN(C)c1nc2cc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)ccc2o1	ZINC000675917233	1075291461	/nfs/dbraw/zinc/29/14/61/1075291461.db2.gz	CGZZZZUQTHROQL-MRXNPFEDSA-N	1	1	415.494	1.546	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1	ZINC000675918091	1075291557	/nfs/dbraw/zinc/29/15/57/1075291557.db2.gz	OAPVZFXUCQZVJG-OAHLLOKOSA-N	1	1	406.918	1.109	20	0		HDADMO
CC(C)n1nnnc1C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035208018	1075293588	/nfs/dbraw/zinc/29/35/88/1075293588.db2.gz	NJSDZHLZWFVLJC-BCDMZGRMSA-N	1	1	400.527	1.492	20	0		HDADMO
CC(C)n1nnnc1C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035208018	1075293592	/nfs/dbraw/zinc/29/35/92/1075293592.db2.gz	NJSDZHLZWFVLJC-BCDMZGRMSA-N	1	1	400.527	1.492	20	0		HDADMO
C[NH+]1CCN(CC(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)CC1	ZINC000675907528	1075294240	/nfs/dbraw/zinc/29/42/40/1075294240.db2.gz	DBLDEIDKLMLLMB-UHFFFAOYSA-N	1	1	413.335	1.480	20	0		HDADMO
OCC[NH+]1CCN(CCCCNc2ccc3nnc(-c4ccsc4)n3n2)CC1	ZINC000480111497	1075301518	/nfs/dbraw/zinc/30/15/18/1075301518.db2.gz	AKUDXAJLJJDPSD-UHFFFAOYSA-N	1	1	401.540	1.655	20	0		HDADMO
CCC1(CC)NC(=O)N(CC(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1=O	ZINC000731300747	1075302384	/nfs/dbraw/zinc/30/23/84/1075302384.db2.gz	STCNFCKKVNZBAL-OAHLLOKOSA-N	1	1	403.483	1.716	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccnc4c3nnn4C)cc2)CC1	ZINC000509373694	1075302944	/nfs/dbraw/zinc/30/29/44/1075302944.db2.gz	FFMYWEBQTMMKEF-UHFFFAOYSA-N	1	1	407.478	1.322	20	0		HDADMO
OCC[C@]1(CNc2cc(NC[C@]3(CCO)CCOC3)[nH+]c3cnccc23)CCOC1	ZINC000582054377	1075303142	/nfs/dbraw/zinc/30/31/42/1075303142.db2.gz	RTAGTJHMDCFQOB-YADHBBJMSA-N	1	1	416.522	2.032	20	0		HDADMO
OC[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccc(Br)cc1	ZINC000428650300	1075304358	/nfs/dbraw/zinc/30/43/58/1075304358.db2.gz	IFQKSOBLDHIEHQ-OAHLLOKOSA-N	1	1	407.312	2.339	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1-c1ncco1	ZINC000675928115	1075305398	/nfs/dbraw/zinc/30/53/98/1075305398.db2.gz	IMTUEVIVXNDPJS-SFHVURJKSA-N	1	1	411.506	1.827	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCNC(=O)OCC(F)(F)F)CC2)CC1	ZINC000731351069	1075313872	/nfs/dbraw/zinc/31/38/72/1075313872.db2.gz	KPFLILVNEBITDM-UHFFFAOYSA-N	1	1	422.448	1.068	20	0		HDADMO
COc1cc(NC(=O)CC[N@H+](C)CC(=O)Nc2cc(C)on2)cc(OC)c1OC	ZINC000532917997	1075317648	/nfs/dbraw/zinc/31/76/48/1075317648.db2.gz	PNAFOOFVRQYHLF-UHFFFAOYSA-N	1	1	406.439	1.908	20	0		HDADMO
COc1cc(NC(=O)CC[N@@H+](C)CC(=O)Nc2cc(C)on2)cc(OC)c1OC	ZINC000532917997	1075317656	/nfs/dbraw/zinc/31/76/56/1075317656.db2.gz	PNAFOOFVRQYHLF-UHFFFAOYSA-N	1	1	406.439	1.908	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3nc(-c4ccccc4)ccc3=O)CC2)CC1	ZINC000731355972	1075318354	/nfs/dbraw/zinc/31/83/54/1075318354.db2.gz	MIROWQPPWHWNMG-UHFFFAOYSA-N	1	1	409.534	1.744	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1	ZINC000675981321	1075318683	/nfs/dbraw/zinc/31/86/83/1075318683.db2.gz	KQMPUINXOYLSSZ-LPHOPBHVSA-N	1	1	421.492	1.492	20	0		HDADMO
C[C@@H]1CCc2c(sc(=O)n2CN2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000731355924	1075318943	/nfs/dbraw/zinc/31/89/43/1075318943.db2.gz	IYNNUUPSSBNWNG-MRXNPFEDSA-N	1	1	406.596	1.868	20	0		HDADMO
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(n2cccn2)CC1	ZINC000731355289	1075319317	/nfs/dbraw/zinc/31/93/17/1075319317.db2.gz	QFJOSPKZYYTCLI-HNNXBMFYSA-N	1	1	405.524	1.798	20	0		HDADMO
COc1cccc(OCCN2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)c1	ZINC000675995354	1075319656	/nfs/dbraw/zinc/31/96/56/1075319656.db2.gz	PYXZQRCJGGBGMF-IBGZPJMESA-N	1	1	402.539	1.886	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1	ZINC000675996482	1075320180	/nfs/dbraw/zinc/32/01/80/1075320180.db2.gz	FSPSIXZCUZPTND-WOJBJXKFSA-N	1	1	410.522	1.572	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CCCc3ccccc32)CC1	ZINC000731362799	1075321399	/nfs/dbraw/zinc/32/13/99/1075321399.db2.gz	LSUHOKXCYQHBIP-QFIPXVFZSA-N	1	1	402.539	1.500	20	0		HDADMO
O=C(C[N@H+]1CCOCC2(CCC2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000546809590	1075322045	/nfs/dbraw/zinc/32/20/45/1075322045.db2.gz	XMZAPRDUZJZEEW-UHFFFAOYSA-N	1	1	407.536	1.022	20	0		HDADMO
COC(=O)c1cn(C2CC[NH+]([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1	ZINC000546810019	1075336138	/nfs/dbraw/zinc/33/61/38/1075336138.db2.gz	JGYNGEYFCHLBEF-GFCCVEGCSA-N	1	1	401.423	1.458	20	0		HDADMO
O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCC1N=NC(=S)N1C1CC1	ZINC000731443486	1075340998	/nfs/dbraw/zinc/34/09/98/1075340998.db2.gz	GQWHBTOQBSZXRQ-UHFFFAOYSA-N	1	1	400.552	1.378	20	0		HDADMO
C[NH+]1CCN([C@@H](C(=O)NCCC2N=NC(=S)N2C2CC2)c2ccccc2)CC1	ZINC000731446326	1075342864	/nfs/dbraw/zinc/34/28/64/1075342864.db2.gz	GDYKWVQREMBPAE-GOSISDBHSA-N	1	1	400.552	1.549	20	0		HDADMO
Cc1cccc(N2CCC(NC(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)CC2)[nH+]1	ZINC000497858970	1075345068	/nfs/dbraw/zinc/34/50/68/1075345068.db2.gz	DEOCWALUKHDAJB-UHFFFAOYSA-N	1	1	423.477	1.871	20	0		HDADMO
Cc1cccc(C)c1CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000804083894	1075346367	/nfs/dbraw/zinc/34/63/67/1075346367.db2.gz	HUYJOAGJQWZMHZ-UHFFFAOYSA-N	1	1	409.534	1.643	20	0		HDADMO
O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000676095119	1075357813	/nfs/dbraw/zinc/35/78/13/1075357813.db2.gz	GVEMFMUFFULAFF-CYBMUJFWSA-N	1	1	422.411	1.825	20	0		HDADMO
Cc1c(C(=O)N(C)CC(=O)NCc2ccco2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000731471249	1075358940	/nfs/dbraw/zinc/35/89/40/1075358940.db2.gz	PHUKLTYMGDWILS-UHFFFAOYSA-N	1	1	422.489	1.545	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2c(OC)cc(OC)cc2OC)[C@H]1C(C)C	ZINC000429396313	1075361670	/nfs/dbraw/zinc/36/16/70/1075361670.db2.gz	WCASPEVALXUCRX-YWZLYKJASA-N	1	1	408.495	1.848	20	0		HDADMO
CNC(=O)c1ccc(C[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C2CC2)cc1	ZINC000731487677	1075367016	/nfs/dbraw/zinc/36/70/16/1075367016.db2.gz	VHCUZWGXRLTDHD-FQEVSTJZSA-N	1	1	422.485	1.888	20	0		HDADMO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804087122	1075378785	/nfs/dbraw/zinc/37/87/85/1075378785.db2.gz	CZZAOLNJHBWTPR-ULQDDVLXSA-N	1	1	410.559	1.737	20	0		HDADMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804087122	1075378792	/nfs/dbraw/zinc/37/87/92/1075378792.db2.gz	CZZAOLNJHBWTPR-ULQDDVLXSA-N	1	1	410.559	1.737	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466713710	1075380299	/nfs/dbraw/zinc/38/02/99/1075380299.db2.gz	QFQZYZVIVXLDOZ-QFBILLFUSA-N	1	1	424.501	1.659	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466713708	1075380364	/nfs/dbraw/zinc/38/03/64/1075380364.db2.gz	QFQZYZVIVXLDOZ-APWZRJJASA-N	1	1	424.501	1.659	20	0		HDADMO
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000429396992	1075382320	/nfs/dbraw/zinc/38/23/20/1075382320.db2.gz	YBVWIYJQWABQLJ-IYFHLELXSA-N	1	1	412.600	1.262	20	0		HDADMO
CN(CCOC(C)(C)C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000676101555	1075382457	/nfs/dbraw/zinc/38/24/57/1075382457.db2.gz	YNUFBVMGNWIRAK-UHFFFAOYSA-N	1	1	420.554	1.525	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3(CCOC)CC3)cc2)CC1	ZINC000676104007	1075383697	/nfs/dbraw/zinc/38/36/97/1075383697.db2.gz	PQPBCTFMEWQQTQ-UHFFFAOYSA-N	1	1	416.522	1.336	20	0		HDADMO
CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000804091619	1075388825	/nfs/dbraw/zinc/38/88/25/1075388825.db2.gz	GXLPNNHTHDLZAL-IAGOWNOFSA-N	1	1	410.559	1.739	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000804093764	1075393397	/nfs/dbraw/zinc/39/33/97/1075393397.db2.gz	POEGQTHADIKTLL-IRXDYDNUSA-N	1	1	410.559	1.881	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)n2)cc1	ZINC000441503145	1075396350	/nfs/dbraw/zinc/39/63/50/1075396350.db2.gz	SODWIFJEVGZHGX-HKUYNNGSSA-N	1	1	411.506	1.821	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC[C@H](O)C(F)(F)F)cc2)CC1	ZINC000676127036	1075396744	/nfs/dbraw/zinc/39/67/44/1075396744.db2.gz	NNDNHKAQBLJULG-HNNXBMFYSA-N	1	1	402.417	1.899	20	0		HDADMO
C[C@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC[N@H+](C2CCC2)C1	ZINC000429400298	1075399259	/nfs/dbraw/zinc/39/92/59/1075399259.db2.gz	YFLJMJHVSGQVIJ-ZDUSSCGKSA-N	1	1	414.959	1.732	20	0		HDADMO
CN(C)c1nc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cs1	ZINC000676161290	1075414650	/nfs/dbraw/zinc/41/46/50/1075414650.db2.gz	ZQVIOZMQJIJOFD-FUHWJXTLSA-N	1	1	403.552	1.891	20	0		HDADMO
CCN(C1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1)S(C)(=O)=O	ZINC000509389226	1075419344	/nfs/dbraw/zinc/41/93/44/1075419344.db2.gz	RGJCKXUTHDXYDD-UHFFFAOYSA-N	1	1	408.612	1.945	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O	ZINC000466719952	1075419779	/nfs/dbraw/zinc/41/97/79/1075419779.db2.gz	SXEMFNSCXQBBGG-WMZOPIPTSA-N	1	1	420.579	1.742	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000446798516	1075422299	/nfs/dbraw/zinc/42/22/99/1075422299.db2.gz	BVPZHVYNGWWWOJ-GOEBONIOSA-N	1	1	400.458	1.596	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1	ZINC000731656960	1075440365	/nfs/dbraw/zinc/44/03/65/1075440365.db2.gz	UUVFGBRWZPHFND-QGZVFWFLSA-N	1	1	420.510	1.995	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)s1	ZINC000676242166	1075444564	/nfs/dbraw/zinc/44/45/64/1075444564.db2.gz	RDTYTBIZLWKJJR-HIFRSBDPSA-N	1	1	418.585	1.297	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)s1	ZINC000676242166	1075444566	/nfs/dbraw/zinc/44/45/66/1075444566.db2.gz	RDTYTBIZLWKJJR-HIFRSBDPSA-N	1	1	418.585	1.297	20	0		HDADMO
COc1cc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc(Br)c1OC	ZINC000676244141	1075445345	/nfs/dbraw/zinc/44/53/45/1075445345.db2.gz	PVQNZPDCZHBPHI-XHDPSFHLSA-N	1	1	416.316	1.985	20	0		HDADMO
COc1cc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc(Br)c1OC	ZINC000676244141	1075445350	/nfs/dbraw/zinc/44/53/50/1075445350.db2.gz	PVQNZPDCZHBPHI-XHDPSFHLSA-N	1	1	416.316	1.985	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1C[N@H+](C)CCO1	ZINC000676244069	1075445440	/nfs/dbraw/zinc/44/54/40/1075445440.db2.gz	NOVDFMVKUWQQGJ-GDBMZVCRSA-N	1	1	412.556	1.282	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1C[N@@H+](C)CCO1	ZINC000676244069	1075445445	/nfs/dbraw/zinc/44/54/45/1075445445.db2.gz	NOVDFMVKUWQQGJ-GDBMZVCRSA-N	1	1	412.556	1.282	20	0		HDADMO
C[C@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@H+](C2CCC2)C1	ZINC000429408475	1075448349	/nfs/dbraw/zinc/44/83/49/1075448349.db2.gz	WSYLXDYBIWDHFF-HNNXBMFYSA-N	1	1	406.552	1.029	20	0		HDADMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1	ZINC000676231352	1075449353	/nfs/dbraw/zinc/44/93/53/1075449353.db2.gz	FEGNYTCACBOOAI-OKILXGFUSA-N	1	1	403.458	1.871	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257099	1075451089	/nfs/dbraw/zinc/45/10/89/1075451089.db2.gz	MMCJUHGVDGAFGL-KSSFIOAISA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257099	1075451098	/nfs/dbraw/zinc/45/10/98/1075451098.db2.gz	MMCJUHGVDGAFGL-KSSFIOAISA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676256743	1075451647	/nfs/dbraw/zinc/45/16/47/1075451647.db2.gz	FWHNDTOEMPRCII-WMLDXEAASA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676256743	1075451649	/nfs/dbraw/zinc/45/16/49/1075451649.db2.gz	FWHNDTOEMPRCII-WMLDXEAASA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257873	1075453209	/nfs/dbraw/zinc/45/32/09/1075453209.db2.gz	MWJVNKZHZJWBOL-YWZLYKJASA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257873	1075453213	/nfs/dbraw/zinc/45/32/13/1075453213.db2.gz	MWJVNKZHZJWBOL-YWZLYKJASA-N	1	1	407.470	1.932	20	0		HDADMO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676258871	1075454791	/nfs/dbraw/zinc/45/47/91/1075454791.db2.gz	OOGOIFPJCYGEIM-BXUZGUMPSA-N	1	1	414.432	1.528	20	0		HDADMO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676258871	1075454794	/nfs/dbraw/zinc/45/47/94/1075454794.db2.gz	OOGOIFPJCYGEIM-BXUZGUMPSA-N	1	1	414.432	1.528	20	0		HDADMO
C[C@@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676260077	1075455804	/nfs/dbraw/zinc/45/58/04/1075455804.db2.gz	DHFPMYGSQRYHGS-PBHICJAKSA-N	1	1	416.478	1.746	20	0		HDADMO
C[C@@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260077	1075455808	/nfs/dbraw/zinc/45/58/08/1075455808.db2.gz	DHFPMYGSQRYHGS-PBHICJAKSA-N	1	1	416.478	1.746	20	0		HDADMO
C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@H]1C[N@H+](C)CCO1	ZINC000676258528	1075455976	/nfs/dbraw/zinc/45/59/76/1075455976.db2.gz	CNNPOJWDMOEOOP-OXJNMPFZSA-N	1	1	406.486	1.894	20	0		HDADMO
C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@H]1C[N@@H+](C)CCO1	ZINC000676258528	1075455980	/nfs/dbraw/zinc/45/59/80/1075455980.db2.gz	CNNPOJWDMOEOOP-OXJNMPFZSA-N	1	1	406.486	1.894	20	0		HDADMO
C[C@@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@@H]1C[N@H+](C)CCO1	ZINC000676259287	1075457776	/nfs/dbraw/zinc/45/77/76/1075457776.db2.gz	UBHIEWRABAHJPR-WBMJQRKESA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259287	1075457779	/nfs/dbraw/zinc/45/77/79/1075457779.db2.gz	UBHIEWRABAHJPR-WBMJQRKESA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676260811	1075458365	/nfs/dbraw/zinc/45/83/65/1075458365.db2.gz	HWPUFXUUUMZLMT-SDMXJPDVSA-N	1	1	408.543	1.349	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676260811	1075458370	/nfs/dbraw/zinc/45/83/70/1075458370.db2.gz	HWPUFXUUUMZLMT-SDMXJPDVSA-N	1	1	408.543	1.349	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)C2)cc1	ZINC000676260566	1075458700	/nfs/dbraw/zinc/45/87/00/1075458700.db2.gz	FZAIQLILACXENT-ZIFCJYIRSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)C2)cc1	ZINC000676260566	1075458703	/nfs/dbraw/zinc/45/87/03/1075458703.db2.gz	FZAIQLILACXENT-ZIFCJYIRSA-N	1	1	409.552	1.231	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[N@H+](C)CCO1	ZINC000676260359	1075459376	/nfs/dbraw/zinc/45/93/76/1075459376.db2.gz	CSMPAZVMSZGMGS-BEFAXECRSA-N	1	1	409.552	1.069	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260359	1075459379	/nfs/dbraw/zinc/45/93/79/1075459379.db2.gz	CSMPAZVMSZGMGS-BEFAXECRSA-N	1	1	409.552	1.069	20	0		HDADMO
C[C@@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1C[N@H+](C)CCO1	ZINC000676262061	1075460253	/nfs/dbraw/zinc/46/02/53/1075460253.db2.gz	VNQXMNJECSOXJS-ABAIWWIYSA-N	1	1	416.291	1.543	20	0		HDADMO
C[C@@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262061	1075460258	/nfs/dbraw/zinc/46/02/58/1075460258.db2.gz	VNQXMNJECSOXJS-ABAIWWIYSA-N	1	1	416.291	1.543	20	0		HDADMO
CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1	ZINC000676264676	1075463244	/nfs/dbraw/zinc/46/32/44/1075463244.db2.gz	XGDGOLIAYFHEGA-UHFFFAOYSA-N	1	1	406.502	1.839	20	0		HDADMO
Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676264714	1075463671	/nfs/dbraw/zinc/46/36/71/1075463671.db2.gz	YPYSIXFPOSKWMP-HOCLYGCPSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676264714	1075463675	/nfs/dbraw/zinc/46/36/75/1075463675.db2.gz	YPYSIXFPOSKWMP-HOCLYGCPSA-N	1	1	412.556	1.912	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248708	1075465302	/nfs/dbraw/zinc/46/53/02/1075465302.db2.gz	WDHVBMHRMWQULP-YJBOKZPZSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248708	1075465308	/nfs/dbraw/zinc/46/53/08/1075465308.db2.gz	WDHVBMHRMWQULP-YJBOKZPZSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251488	1075469102	/nfs/dbraw/zinc/46/91/02/1075469102.db2.gz	NIHFVINEKCNBCN-DZGCQCFKSA-N	1	1	412.332	1.395	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251488	1075469104	/nfs/dbraw/zinc/46/91/04/1075469104.db2.gz	NIHFVINEKCNBCN-DZGCQCFKSA-N	1	1	412.332	1.395	20	0		HDADMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000731685305	1075469142	/nfs/dbraw/zinc/46/91/42/1075469142.db2.gz	XFLPCZKDBUZSHM-GOSISDBHSA-N	1	1	402.605	1.449	20	0		HDADMO
CCn1nc2c(cc1=O)CN([C@H](C)CC[N@H+]1CCc3nn(CC)c(=O)cc3C1)CC2	ZINC000676252489	1075470530	/nfs/dbraw/zinc/47/05/30/1075470530.db2.gz	OQSSNEMZPHPVGJ-MRXNPFEDSA-N	1	1	412.538	1.035	20	0		HDADMO
CCn1nc2c(cc1=O)CN(CC[C@@H](C)[N@@H+]1CCc3nn(CC)c(=O)cc3C1)CC2	ZINC000676252489	1075470536	/nfs/dbraw/zinc/47/05/36/1075470536.db2.gz	OQSSNEMZPHPVGJ-MRXNPFEDSA-N	1	1	412.538	1.035	20	0		HDADMO
CCn1nc2c(cc1=O)CN(CC[C@@H](C)[N@H+]1CCc3nn(CC)c(=O)cc3C1)CC2	ZINC000676252489	1075470540	/nfs/dbraw/zinc/47/05/40/1075470540.db2.gz	OQSSNEMZPHPVGJ-MRXNPFEDSA-N	1	1	412.538	1.035	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676253296	1075471760	/nfs/dbraw/zinc/47/17/60/1075471760.db2.gz	VMSRGAAPIYHXBP-YLJYHZDGSA-N	1	1	417.554	1.234	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676253296	1075471764	/nfs/dbraw/zinc/47/17/64/1075471764.db2.gz	VMSRGAAPIYHXBP-YLJYHZDGSA-N	1	1	417.554	1.234	20	0		HDADMO
CCOCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1C	ZINC000676278146	1075476332	/nfs/dbraw/zinc/47/63/32/1075476332.db2.gz	FDLOQDPPLXZINV-LPHOPBHVSA-N	1	1	407.511	1.322	20	0		HDADMO
CCOCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C	ZINC000676278146	1075476337	/nfs/dbraw/zinc/47/63/37/1075476337.db2.gz	FDLOQDPPLXZINV-LPHOPBHVSA-N	1	1	407.511	1.322	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277740	1075477026	/nfs/dbraw/zinc/47/70/26/1075477026.db2.gz	AHKANRNSGUXLIN-CJNGLKHVSA-N	1	1	416.503	1.774	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277740	1075477028	/nfs/dbraw/zinc/47/70/28/1075477028.db2.gz	AHKANRNSGUXLIN-CJNGLKHVSA-N	1	1	416.503	1.774	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676279143	1075478597	/nfs/dbraw/zinc/47/85/97/1075478597.db2.gz	AJHPEXXIQCMKOY-HNAYVOBHSA-N	1	1	405.495	1.266	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279143	1075478600	/nfs/dbraw/zinc/47/86/00/1075478600.db2.gz	AJHPEXXIQCMKOY-HNAYVOBHSA-N	1	1	405.495	1.266	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278978	1075479126	/nfs/dbraw/zinc/47/91/26/1075479126.db2.gz	LDMLCQZTTFFNPE-WMLDXEAASA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278978	1075479130	/nfs/dbraw/zinc/47/91/30/1075479130.db2.gz	LDMLCQZTTFFNPE-WMLDXEAASA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278629	1075480500	/nfs/dbraw/zinc/48/05/00/1075480500.db2.gz	JBJUEMBZVXQPNZ-YOEHRIQHSA-N	1	1	412.494	1.055	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278629	1075480503	/nfs/dbraw/zinc/48/05/03/1075480503.db2.gz	JBJUEMBZVXQPNZ-YOEHRIQHSA-N	1	1	412.494	1.055	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1C[N@H+](C)CCO1	ZINC000676279330	1075481515	/nfs/dbraw/zinc/48/15/15/1075481515.db2.gz	NFZCCFZCHSCMNV-UFBFGSQYSA-N	1	1	406.227	1.501	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279330	1075481519	/nfs/dbraw/zinc/48/15/19/1075481519.db2.gz	NFZCCFZCHSCMNV-UFBFGSQYSA-N	1	1	406.227	1.501	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280061	1075482786	/nfs/dbraw/zinc/48/27/86/1075482786.db2.gz	QWJCQENOHDWICD-KSSFIOAISA-N	1	1	402.495	1.133	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280061	1075482795	/nfs/dbraw/zinc/48/27/95/1075482795.db2.gz	QWJCQENOHDWICD-KSSFIOAISA-N	1	1	402.495	1.133	20	0		HDADMO
CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1	ZINC000543667954	1075483810	/nfs/dbraw/zinc/48/38/10/1075483810.db2.gz	LSYFNWGLCRKZFG-SFHVURJKSA-N	1	1	402.605	1.715	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280951	1075485102	/nfs/dbraw/zinc/48/51/02/1075485102.db2.gz	LAIQTIFNDKUHNZ-BEFAXECRSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280951	1075485105	/nfs/dbraw/zinc/48/51/05/1075485105.db2.gz	LAIQTIFNDKUHNZ-BEFAXECRSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280288	1075486672	/nfs/dbraw/zinc/48/66/72/1075486672.db2.gz	UXBUCIWGQUQXAN-LPHOPBHVSA-N	1	1	416.522	1.477	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280288	1075486676	/nfs/dbraw/zinc/48/66/76/1075486676.db2.gz	UXBUCIWGQUQXAN-LPHOPBHVSA-N	1	1	416.522	1.477	20	0		HDADMO
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1)C(C)C	ZINC000676281791	1075488351	/nfs/dbraw/zinc/48/83/51/1075488351.db2.gz	WPJLZMGMEPLGGV-DNVCBOLYSA-N	1	1	404.511	1.217	20	0		HDADMO
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1)C(C)C	ZINC000676281791	1075488353	/nfs/dbraw/zinc/48/83/53/1075488353.db2.gz	WPJLZMGMEPLGGV-DNVCBOLYSA-N	1	1	404.511	1.217	20	0		HDADMO
CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676281602	1075488685	/nfs/dbraw/zinc/48/86/85/1075488685.db2.gz	YZKGXTDYLZQYGL-ABAIWWIYSA-N	1	1	414.300	1.622	20	0		HDADMO
CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281602	1075488689	/nfs/dbraw/zinc/48/86/89/1075488689.db2.gz	YZKGXTDYLZQYGL-ABAIWWIYSA-N	1	1	414.300	1.622	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc3c([nH]c2=O)CCCC3)C1	ZINC000731739078	1075489112	/nfs/dbraw/zinc/48/91/12/1075489112.db2.gz	JDNZEUYPEWGAIX-MRXNPFEDSA-N	1	1	405.495	1.296	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281371	1075489071	/nfs/dbraw/zinc/48/90/71/1075489071.db2.gz	VZRYMWMNIMOVQT-DYVFJYSZSA-N	1	1	405.886	1.359	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281371	1075489078	/nfs/dbraw/zinc/48/90/78/1075489078.db2.gz	VZRYMWMNIMOVQT-DYVFJYSZSA-N	1	1	405.886	1.359	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281373	1075489285	/nfs/dbraw/zinc/48/92/85/1075489285.db2.gz	VZRYMWMNIMOVQT-GUYCJALGSA-N	1	1	405.886	1.359	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281373	1075489287	/nfs/dbraw/zinc/48/92/87/1075489287.db2.gz	VZRYMWMNIMOVQT-GUYCJALGSA-N	1	1	405.886	1.359	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1C[N@H+](C)CCO1	ZINC000676287061	1075491039	/nfs/dbraw/zinc/49/10/39/1075491039.db2.gz	NOJSWSZFNLGNMM-RRFJBIMHSA-N	1	1	401.554	1.127	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1C[N@@H+](C)CCO1	ZINC000676287061	1075491041	/nfs/dbraw/zinc/49/10/41/1075491041.db2.gz	NOJSWSZFNLGNMM-RRFJBIMHSA-N	1	1	401.554	1.127	20	0		HDADMO
O=S(=O)(c1ccccc1)N1CCC(CNc2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676309253	1075493970	/nfs/dbraw/zinc/49/39/70/1075493970.db2.gz	LCUWFVVKUIJNQX-UHFFFAOYSA-N	1	1	417.535	1.826	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676291977	1075495938	/nfs/dbraw/zinc/49/59/38/1075495938.db2.gz	GZPQXYKDDUEOIO-OXQOHEQNSA-N	1	1	418.538	1.247	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676291977	1075495941	/nfs/dbraw/zinc/49/59/41/1075495941.db2.gz	GZPQXYKDDUEOIO-OXQOHEQNSA-N	1	1	418.538	1.247	20	0		HDADMO
COc1ccc2c(c1)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)CCO2	ZINC000466726574	1075499757	/nfs/dbraw/zinc/49/97/57/1075499757.db2.gz	BXNVEDMJSITOTM-AZUAARDMSA-N	1	1	417.506	1.348	20	0		HDADMO
CCO[C@@H]1COCC[C@@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000546825373	1075501486	/nfs/dbraw/zinc/50/14/86/1075501486.db2.gz	SGCVMQHEOGJMDT-VQTJNVASSA-N	1	1	406.527	1.510	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676305296	1075503221	/nfs/dbraw/zinc/50/32/21/1075503221.db2.gz	HCKPDMVZGGFBBJ-NOLJZWGESA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676305296	1075503227	/nfs/dbraw/zinc/50/32/27/1075503227.db2.gz	HCKPDMVZGGFBBJ-NOLJZWGESA-N	1	1	405.417	1.463	20	0		HDADMO
CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434807788	1075503788	/nfs/dbraw/zinc/50/37/88/1075503788.db2.gz	HELGIBMQWAYCGZ-LSDHHAIUSA-N	1	1	400.483	1.980	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cncc(-c2ccc3c(c2)CCO3)c1	ZINC000676336590	1075511279	/nfs/dbraw/zinc/51/12/79/1075511279.db2.gz	RPIMOJCJAONZRM-QFIPXVFZSA-N	1	1	422.529	1.820	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCC[C@@H]3CCO)c2)CC1	ZINC000429423121	1075512298	/nfs/dbraw/zinc/51/22/98/1075512298.db2.gz	IIKWKFQRYWYBDP-QGZVFWFLSA-N	1	1	410.540	1.392	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCC[C@@H]3CCO)c2)CC1	ZINC000429423121	1075512301	/nfs/dbraw/zinc/51/23/01/1075512301.db2.gz	IIKWKFQRYWYBDP-QGZVFWFLSA-N	1	1	410.540	1.392	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000731757380	1075512922	/nfs/dbraw/zinc/51/29/22/1075512922.db2.gz	DQQUDYFWAJVQNT-INIZCTEOSA-N	1	1	411.547	1.238	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000731756890	1075513273	/nfs/dbraw/zinc/51/32/73/1075513273.db2.gz	KSGAZSXYIXBLDW-UHFFFAOYSA-N	1	1	411.547	1.238	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(Br)nnn1C	ZINC000711781066	1075516222	/nfs/dbraw/zinc/51/62/22/1075516222.db2.gz	WUMZSSLMUVUYOK-QGZVFWFLSA-N	1	1	408.300	1.287	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)CC1	ZINC000731762072	1075516413	/nfs/dbraw/zinc/51/64/13/1075516413.db2.gz	AOIQNCPIGHCXHT-INIZCTEOSA-N	1	1	416.444	1.591	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000731761941	1075516800	/nfs/dbraw/zinc/51/68/00/1075516800.db2.gz	PNFQQLKIPPVHKJ-UHFFFAOYSA-N	1	1	411.547	1.191	20	0		HDADMO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676332374	1075522986	/nfs/dbraw/zinc/52/29/86/1075522986.db2.gz	CFDGAGUROGJETM-CDHQVMDDSA-N	1	1	400.523	1.687	20	0		HDADMO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676332374	1075522992	/nfs/dbraw/zinc/52/29/92/1075522992.db2.gz	CFDGAGUROGJETM-CDHQVMDDSA-N	1	1	400.523	1.687	20	0		HDADMO
C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)CO)c1	ZINC000676361886	1075524240	/nfs/dbraw/zinc/52/42/40/1075524240.db2.gz	FVNGWMIJWRMRRW-AWEZNQCLSA-N	1	1	422.501	1.712	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)CO)c1	ZINC000676361886	1075524252	/nfs/dbraw/zinc/52/42/52/1075524252.db2.gz	FVNGWMIJWRMRRW-AWEZNQCLSA-N	1	1	422.501	1.712	20	0		HDADMO
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CC[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)[C@H]2C1	ZINC001084945850	1075527076	/nfs/dbraw/zinc/52/70/76/1075527076.db2.gz	VZKSAEYJQUDZNY-ZRSRNVLSSA-N	1	1	400.523	1.453	20	0		HDADMO
CN(C)C(=O)c1cc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccn1	ZINC000429428699	1075527251	/nfs/dbraw/zinc/52/72/51/1075527251.db2.gz	UPRMAPZYCHPDOZ-JOCHJYFZSA-N	1	1	411.506	1.884	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000676353770	1075529866	/nfs/dbraw/zinc/52/98/66/1075529866.db2.gz	JRUKOWZDLOVBLR-HNNXBMFYSA-N	1	1	401.467	1.139	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N(C)CCOc2ccccc2F)CC1	ZINC000676354818	1075530474	/nfs/dbraw/zinc/53/04/74/1075530474.db2.gz	UMBMNCSLSGAVFO-UHFFFAOYSA-N	1	1	405.474	1.860	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000676357509	1075531518	/nfs/dbraw/zinc/53/15/18/1075531518.db2.gz	FPIPJNMYWSKRFL-DLBZAZTESA-N	1	1	412.490	1.177	20	0		HDADMO
C[N@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1	ZINC000731852310	1075534428	/nfs/dbraw/zinc/53/44/28/1075534428.db2.gz	NGLFKSGBHNYTHR-LLVKDONJSA-N	1	1	416.341	1.571	20	0		HDADMO
CC[C@H](CO)[NH+]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1	ZINC000676408687	1075540337	/nfs/dbraw/zinc/54/03/37/1075540337.db2.gz	SMTZUJUZSJHMCD-OAHLLOKOSA-N	1	1	409.943	1.928	20	0		HDADMO
CC[C@@H](CO)[NH+]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1	ZINC000676408684	1075540392	/nfs/dbraw/zinc/54/03/92/1075540392.db2.gz	SMTZUJUZSJHMCD-HNNXBMFYSA-N	1	1	409.943	1.928	20	0		HDADMO
COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000676393190	1075541182	/nfs/dbraw/zinc/54/11/82/1075541182.db2.gz	MUNNNUKMXBRALL-DOTOQJQBSA-N	1	1	410.536	1.475	20	0		HDADMO
C[NH+](C)[C@@H](CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)c1ccco1	ZINC000804142832	1075543914	/nfs/dbraw/zinc/54/39/14/1075543914.db2.gz	KLHWQGAAUSMVEX-KXBFYZLASA-N	1	1	405.476	1.753	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)CCN2C(=S)N=NC2c2cccs2)CC1	ZINC000731837970	1075544796	/nfs/dbraw/zinc/54/47/96/1075544796.db2.gz	QWLRGWBMTTUYEJ-UHFFFAOYSA-N	1	1	422.580	1.354	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(N2C(=O)N[C@H](Cc3cccc(Cl)c3)C2=O)CC1	ZINC000804145232	1075546788	/nfs/dbraw/zinc/54/67/88/1075546788.db2.gz	AYUXGXVFJQYNSK-QGZVFWFLSA-N	1	1	406.914	1.794	20	0		HDADMO
CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000676426333	1075546863	/nfs/dbraw/zinc/54/68/63/1075546863.db2.gz	MAZMLFIMJKLJCU-HXUWFJFHSA-N	1	1	416.570	1.182	20	0		HDADMO
CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000676426333	1075546865	/nfs/dbraw/zinc/54/68/65/1075546865.db2.gz	MAZMLFIMJKLJCU-HXUWFJFHSA-N	1	1	416.570	1.182	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1	ZINC000731843290	1075548198	/nfs/dbraw/zinc/54/81/98/1075548198.db2.gz	OJGNQSXKKCAZQM-QFIPXVFZSA-N	1	1	415.582	1.564	20	0		HDADMO
COc1ccc(C2(CNC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CCC2)cc1	ZINC000676416996	1075548211	/nfs/dbraw/zinc/54/82/11/1075548211.db2.gz	HTBZLTOSPHNNAB-GOSISDBHSA-N	1	1	415.534	1.414	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1	ZINC000731873381	1075549059	/nfs/dbraw/zinc/54/90/59/1075549059.db2.gz	QRYJJIKNISPLBR-AWEZNQCLSA-N	1	1	416.975	1.345	20	0		HDADMO
Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2)cc1	ZINC000731878069	1075550088	/nfs/dbraw/zinc/55/00/88/1075550088.db2.gz	FIZZWVRQTSQNTP-ZWKOTPCHSA-N	1	1	403.504	1.627	20	0		HDADMO
Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2)cc1	ZINC000731878066	1075550144	/nfs/dbraw/zinc/55/01/44/1075550144.db2.gz	FIZZWVRQTSQNTP-MSOLQXFVSA-N	1	1	403.504	1.627	20	0		HDADMO
Cc1cc(CNC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1	ZINC000676453336	1075558276	/nfs/dbraw/zinc/55/82/76/1075558276.db2.gz	MAHQYUBUOFHMPA-GOSISDBHSA-N	1	1	407.478	1.617	20	0		HDADMO
Cc1cc(CNC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1	ZINC000676453336	1075558281	/nfs/dbraw/zinc/55/82/81/1075558281.db2.gz	MAHQYUBUOFHMPA-GOSISDBHSA-N	1	1	407.478	1.617	20	0		HDADMO
Cc1cc(CNC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1	ZINC000676453336	1075558288	/nfs/dbraw/zinc/55/82/88/1075558288.db2.gz	MAHQYUBUOFHMPA-GOSISDBHSA-N	1	1	407.478	1.617	20	0		HDADMO
Cc1cc(CNC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1	ZINC000676453337	1075558564	/nfs/dbraw/zinc/55/85/64/1075558564.db2.gz	MAHQYUBUOFHMPA-SFHVURJKSA-N	1	1	407.478	1.617	20	0		HDADMO
Cc1cc(CNC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1	ZINC000676453337	1075558573	/nfs/dbraw/zinc/55/85/73/1075558573.db2.gz	MAHQYUBUOFHMPA-SFHVURJKSA-N	1	1	407.478	1.617	20	0		HDADMO
Cc1cc(CNC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1	ZINC000676453337	1075558582	/nfs/dbraw/zinc/55/85/82/1075558582.db2.gz	MAHQYUBUOFHMPA-SFHVURJKSA-N	1	1	407.478	1.617	20	0		HDADMO
CCN(CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)C(=O)OC(C)(C)C	ZINC000804257242	1075559554	/nfs/dbraw/zinc/55/95/54/1075559554.db2.gz	VADAAZZQPJDJJP-UHFFFAOYSA-N	1	1	419.526	1.412	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)s1	ZINC000676478397	1075560162	/nfs/dbraw/zinc/56/01/62/1075560162.db2.gz	SUBSIMZQJYGIRI-MRXNPFEDSA-N	1	1	408.549	1.511	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)s1	ZINC000676478397	1075560166	/nfs/dbraw/zinc/56/01/66/1075560166.db2.gz	SUBSIMZQJYGIRI-MRXNPFEDSA-N	1	1	408.549	1.511	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](n2ccnc2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000676478699	1075566092	/nfs/dbraw/zinc/56/60/92/1075566092.db2.gz	OLFABWMCMWTBMD-HXUWFJFHSA-N	1	1	411.506	1.309	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](n2ccnc2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000676478699	1075566098	/nfs/dbraw/zinc/56/60/98/1075566098.db2.gz	OLFABWMCMWTBMD-HXUWFJFHSA-N	1	1	411.506	1.309	20	0		HDADMO
CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000676486559	1075568078	/nfs/dbraw/zinc/56/80/78/1075568078.db2.gz	YGBOUGZILWTEIH-UHFFFAOYSA-N	1	1	408.518	1.249	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)CN2C(=O)CSc3ccccc32)CC1	ZINC000731919419	1075570994	/nfs/dbraw/zinc/57/09/94/1075570994.db2.gz	RQJDKSKUICFUHP-UHFFFAOYSA-N	1	1	406.504	1.944	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc(C(F)(F)F)nc2[nH]cnc21	ZINC000562473012	1075571369	/nfs/dbraw/zinc/57/13/69/1075571369.db2.gz	ORGRPNSBNBPJOI-LBPRGKRZSA-N	1	1	406.416	2.389	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)CCO2	ZINC000676522960	1075574272	/nfs/dbraw/zinc/57/42/72/1075574272.db2.gz	SKHWHSJRLMZPOM-MAUKXSAKSA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)CCO2	ZINC000676522960	1075574276	/nfs/dbraw/zinc/57/42/76/1075574276.db2.gz	SKHWHSJRLMZPOM-MAUKXSAKSA-N	1	1	419.522	1.329	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1COc2ccccc2C1	ZINC000731961893	1075577312	/nfs/dbraw/zinc/57/73/12/1075577312.db2.gz	BSDGOEFRHZVIIF-XLIONFOSSA-N	1	1	401.507	1.067	20	0		HDADMO
COC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000731974593	1075581031	/nfs/dbraw/zinc/58/10/31/1075581031.db2.gz	UYWKHYMANYAJPS-KRWDZBQOSA-N	1	1	404.467	1.517	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000574126044	1075581763	/nfs/dbraw/zinc/58/17/63/1075581763.db2.gz	VLHRTTSQGQJIMJ-BEFAXECRSA-N	1	1	411.506	1.642	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000574126044	1075581768	/nfs/dbraw/zinc/58/17/68/1075581768.db2.gz	VLHRTTSQGQJIMJ-BEFAXECRSA-N	1	1	411.506	1.642	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000731978267	1075581979	/nfs/dbraw/zinc/58/19/79/1075581979.db2.gz	GDLAZMOZOHJSCY-FQQSSWHASA-N	1	1	407.474	1.543	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000731978267	1075581984	/nfs/dbraw/zinc/58/19/84/1075581984.db2.gz	GDLAZMOZOHJSCY-FQQSSWHASA-N	1	1	407.474	1.543	20	0		HDADMO
Cc1ccc(OC[C@@H](C)NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000731981468	1075582841	/nfs/dbraw/zinc/58/28/41/1075582841.db2.gz	ANDMDIPKHWZNJX-QUCCMNQESA-N	1	1	403.523	1.592	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1CC(=O)N(C3CC3)C1)CC2	ZINC000429445997	1075583001	/nfs/dbraw/zinc/58/30/01/1075583001.db2.gz	QCYYQWXWFUDNLX-INIZCTEOSA-N	1	1	402.495	1.124	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1CC(=O)N(C3CC3)C1)CC2	ZINC000429445997	1075583007	/nfs/dbraw/zinc/58/30/07/1075583007.db2.gz	QCYYQWXWFUDNLX-INIZCTEOSA-N	1	1	402.495	1.124	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1	ZINC000731984664	1075583739	/nfs/dbraw/zinc/58/37/39/1075583739.db2.gz	MUZMBUSXJSUHIN-YOCVDRLZSA-N	1	1	421.501	1.790	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000427238035	1075585992	/nfs/dbraw/zinc/58/59/92/1075585992.db2.gz	HLCUALNKMQAGTK-HXUWFJFHSA-N	1	1	424.549	1.821	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446850190	1075586023	/nfs/dbraw/zinc/58/60/23/1075586023.db2.gz	WOPZFRZQYFYGCC-HNNXBMFYSA-N	1	1	409.412	2.117	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000446730060	1075586058	/nfs/dbraw/zinc/58/60/58/1075586058.db2.gz	YHZNARVDTXAIAU-INIZCTEOSA-N	1	1	423.439	2.507	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000509422900	1075590292	/nfs/dbraw/zinc/59/02/92/1075590292.db2.gz	DSCGPQOCNYWABP-HNNXBMFYSA-N	1	1	415.581	1.480	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)C2=O)cc1	ZINC000732035009	1075592049	/nfs/dbraw/zinc/59/20/49/1075592049.db2.gz	JDLYHCWUIVMXFP-IERDGZPVSA-N	1	1	400.479	1.157	20	0		HDADMO
CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732035307	1075592064	/nfs/dbraw/zinc/59/20/64/1075592064.db2.gz	LSCKMKAQFQHVJL-MRXNPFEDSA-N	1	1	411.499	1.155	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676545555	1075592040	/nfs/dbraw/zinc/59/20/40/1075592040.db2.gz	VZFNVRVCWYVAEB-IBGZPJMESA-N	1	1	404.474	1.656	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(Cc2ccccn2)c1	ZINC000676545693	1075592083	/nfs/dbraw/zinc/59/20/83/1075592083.db2.gz	SXZVBFMESSBPIC-UHFFFAOYSA-N	1	1	418.501	1.830	20	0		HDADMO
Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000464336239	1075594545	/nfs/dbraw/zinc/59/45/45/1075594545.db2.gz	BGSNAWHDCBQPBY-UHFFFAOYSA-N	1	1	404.467	2.345	20	0		HDADMO
Cc1nccn1-c1ncccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000732058520	1075596959	/nfs/dbraw/zinc/59/69/59/1075596959.db2.gz	AWTVLAIHBPRJPE-SFHVURJKSA-N	1	1	412.494	1.228	20	0		HDADMO
CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000732061525	1075598367	/nfs/dbraw/zinc/59/83/67/1075598367.db2.gz	NKXGVZOCAFRICY-QZTJIDSGSA-N	1	1	405.543	1.127	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCC3(OC)CCOCC3)C2)cc(OC)c1	ZINC000676574102	1075599650	/nfs/dbraw/zinc/59/96/50/1075599650.db2.gz	GVOBHPLUBYHHHD-QGZVFWFLSA-N	1	1	407.511	1.773	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCC3(OC)CCOCC3)C2)cc(OC)c1	ZINC000676574102	1075599655	/nfs/dbraw/zinc/59/96/55/1075599655.db2.gz	GVOBHPLUBYHHHD-QGZVFWFLSA-N	1	1	407.511	1.773	20	0		HDADMO
COC1(CNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCOCC1	ZINC000676564813	1075603152	/nfs/dbraw/zinc/60/31/52/1075603152.db2.gz	HKZGODRYIGNSGC-UHFFFAOYSA-N	1	1	404.555	1.689	20	0		HDADMO
CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1	ZINC000804176296	1075603669	/nfs/dbraw/zinc/60/36/69/1075603669.db2.gz	JQFFHVNAQRAKPD-IAGOWNOFSA-N	1	1	420.510	1.578	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C	ZINC000804180817	1075610871	/nfs/dbraw/zinc/61/08/71/1075610871.db2.gz	VGZUSIAPNZHKLP-GOSISDBHSA-N	1	1	418.538	1.702	20	0		HDADMO
COc1ccc(C(=O)NCCN2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)cc1	ZINC000732097598	1075611097	/nfs/dbraw/zinc/61/10/97/1075611097.db2.gz	GJJQCISQSWHCMK-UHFFFAOYSA-N	1	1	413.522	1.555	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)C1	ZINC000676611339	1075614726	/nfs/dbraw/zinc/61/47/26/1075614726.db2.gz	PGPDTLZYVKSZAU-KRWDZBQOSA-N	1	1	422.576	1.942	20	0		HDADMO
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)[NH+]1CCN(C)CC1	ZINC000676614957	1075616759	/nfs/dbraw/zinc/61/67/59/1075616759.db2.gz	KHVWNTXWQZGDMN-KRWDZBQOSA-N	1	1	422.480	1.758	20	0		HDADMO
C[N@@H+](CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C[C@@H](O)C1CC1	ZINC000676632049	1075625214	/nfs/dbraw/zinc/62/52/14/1075625214.db2.gz	CUTXFGNTXZTVOO-HXUWFJFHSA-N	1	1	421.563	1.453	20	0		HDADMO
C[N@H+](CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C[C@@H](O)C1CC1	ZINC000676632049	1075625218	/nfs/dbraw/zinc/62/52/18/1075625218.db2.gz	CUTXFGNTXZTVOO-HXUWFJFHSA-N	1	1	421.563	1.453	20	0		HDADMO
C[N@@H+](CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C[C@@H](O)C1CC1	ZINC000676632987	1075625644	/nfs/dbraw/zinc/62/56/44/1075625644.db2.gz	RAZCMPDPFFIVOB-HXUWFJFHSA-N	1	1	421.563	1.453	20	0		HDADMO
C[N@H+](CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C[C@@H](O)C1CC1	ZINC000676632987	1075625646	/nfs/dbraw/zinc/62/56/46/1075625646.db2.gz	RAZCMPDPFFIVOB-HXUWFJFHSA-N	1	1	421.563	1.453	20	0		HDADMO
C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C[C@H](O)C1CC1	ZINC000676633245	1075625669	/nfs/dbraw/zinc/62/56/69/1075625669.db2.gz	VTNJCWAUUFLZSC-IBGZPJMESA-N	1	1	409.552	1.893	20	0		HDADMO
C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C[C@H](O)C1CC1	ZINC000676633245	1075625671	/nfs/dbraw/zinc/62/56/71/1075625671.db2.gz	VTNJCWAUUFLZSC-IBGZPJMESA-N	1	1	409.552	1.893	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C	ZINC000804183285	1075627286	/nfs/dbraw/zinc/62/72/86/1075627286.db2.gz	QWPKLCRDTQOZNJ-AEFFLSMTSA-N	1	1	418.538	1.606	20	0		HDADMO
C[C@@H](Sc1ccccc1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1)C(N)=O	ZINC000509428861	1075627570	/nfs/dbraw/zinc/62/75/70/1075627570.db2.gz	FWRLAJYLGHSBDK-CQSZACIVSA-N	1	1	414.535	1.471	20	0		HDADMO
Cn1ccnc(N2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1=O	ZINC000466737542	1075629644	/nfs/dbraw/zinc/62/96/44/1075629644.db2.gz	HCOWAFYORAXPDI-UHFFFAOYSA-N	1	1	400.870	1.848	20	0		HDADMO
Cn1ccnc1[C@@](O)(CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C(F)(F)F	ZINC000732127356	1075631000	/nfs/dbraw/zinc/63/10/00/1075631000.db2.gz	IKAMHQWHYBHGLZ-YOEHRIQHSA-N	1	1	404.433	1.273	20	0		HDADMO
COc1cccc(N2C[C@@H](Nc3nc(N)c4cc(OC)c(OC)cc4[nH+]3)CC2=O)c1	ZINC000599834528	1075634442	/nfs/dbraw/zinc/63/44/42/1075634442.db2.gz	FWRQDGOSVVNAIA-LBPRGKRZSA-N	1	1	409.446	1.877	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000732114400	1075635921	/nfs/dbraw/zinc/63/59/21/1075635921.db2.gz	KMQLUIKVMKTELC-GOSISDBHSA-N	1	1	406.958	1.784	20	0		HDADMO
CCOC(=O)Cc1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1	ZINC000509430117	1075643245	/nfs/dbraw/zinc/64/32/45/1075643245.db2.gz	JRYONICJBCRJSI-IBGZPJMESA-N	1	1	423.579	1.583	20	0		HDADMO
CN(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732188032	1075653609	/nfs/dbraw/zinc/65/36/09/1075653609.db2.gz	DMBNPLAASIURDM-CONPEVPGSA-N	1	1	400.523	1.872	20	0		HDADMO
CN(Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732188905	1075654052	/nfs/dbraw/zinc/65/40/52/1075654052.db2.gz	OBXOGTTXKLNRQQ-CQSZACIVSA-N	1	1	420.505	1.939	20	0		HDADMO
CN(Cn1nc(CCC(N)=O)n(C[C@@H]2CCCO2)c1=S)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732190072	1075655436	/nfs/dbraw/zinc/65/54/36/1075655436.db2.gz	WJDXGDNJNSHEKA-HOTGVXAUSA-N	1	1	408.572	1.137	20	0		HDADMO
C[C@]1(c2ccccc2F)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732191883	1075655906	/nfs/dbraw/zinc/65/59/06/1075655906.db2.gz	USHWBNHHRFLIBZ-QVKFZJNVSA-N	1	1	402.470	1.885	20	0		HDADMO
C[C@]1(c2ccccc2F)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732191883	1075655909	/nfs/dbraw/zinc/65/59/09/1075655909.db2.gz	USHWBNHHRFLIBZ-QVKFZJNVSA-N	1	1	402.470	1.885	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)CC1	ZINC000732207522	1075665480	/nfs/dbraw/zinc/66/54/80/1075665480.db2.gz	WKMRMWNJPXBWEI-MRXNPFEDSA-N	1	1	412.575	1.937	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)CC1	ZINC000732207522	1075665483	/nfs/dbraw/zinc/66/54/83/1075665483.db2.gz	WKMRMWNJPXBWEI-MRXNPFEDSA-N	1	1	412.575	1.937	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CC2)C1	ZINC000556992507	1075665965	/nfs/dbraw/zinc/66/59/65/1075665965.db2.gz	UTKBNBCTAPLQOB-OAHLLOKOSA-N	1	1	417.897	2.062	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CC2)C1	ZINC000556992507	1075665970	/nfs/dbraw/zinc/66/59/70/1075665970.db2.gz	UTKBNBCTAPLQOB-OAHLLOKOSA-N	1	1	417.897	2.062	20	0		HDADMO
C[N@H+](CCn1cccn1)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	ZINC000732209401	1075666759	/nfs/dbraw/zinc/66/67/59/1075666759.db2.gz	KKHZSWNCVQCGQB-VBKFSLOCSA-N	1	1	414.491	1.063	20	0		HDADMO
C[N@@H+](CCn1cccn1)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	ZINC000732209401	1075666762	/nfs/dbraw/zinc/66/67/62/1075666762.db2.gz	KKHZSWNCVQCGQB-VBKFSLOCSA-N	1	1	414.491	1.063	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)c1	ZINC000543682766	1075667941	/nfs/dbraw/zinc/66/79/41/1075667941.db2.gz	XACPDIPDFPKXQJ-QGZVFWFLSA-N	1	1	413.540	1.020	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000509432048	1075668266	/nfs/dbraw/zinc/66/82/66/1075668266.db2.gz	PCJBTXXGFSCISF-NEPJUHHUSA-N	1	1	410.540	1.556	20	0		HDADMO
COCCOc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732211158	1075668473	/nfs/dbraw/zinc/66/84/73/1075668473.db2.gz	NXZAYDHZRSVFJY-LJQANCHMSA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732211158	1075668474	/nfs/dbraw/zinc/66/84/74/1075668474.db2.gz	NXZAYDHZRSVFJY-LJQANCHMSA-N	1	1	403.523	1.805	20	0		HDADMO
Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1	ZINC000732202332	1075675020	/nfs/dbraw/zinc/67/50/20/1075675020.db2.gz	ZJHHUMFBZFUJAG-JOCHJYFZSA-N	1	1	424.593	1.702	20	0		HDADMO
COc1cccc([C@H](O)CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000732239261	1075677020	/nfs/dbraw/zinc/67/70/20/1075677020.db2.gz	WFCFSJVBVJGIFW-LJQANCHMSA-N	1	1	414.510	1.030	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1	ZINC001545675295	1075677838	/nfs/dbraw/zinc/67/78/38/1075677838.db2.gz	VOFGEYGWYVASDK-LNLFQRSKSA-N	1	1	411.554	1.709	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1	ZINC000732245416	1075679034	/nfs/dbraw/zinc/67/90/34/1075679034.db2.gz	UWOBOVKCSVQUGQ-LJQANCHMSA-N	1	1	419.570	1.799	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	ZINC000732254077	1075680592	/nfs/dbraw/zinc/68/05/92/1075680592.db2.gz	RTFHHNDTSYSHPJ-LLVKDONJSA-N	1	1	421.414	1.460	20	0		HDADMO
COc1cccc([C@H](O)CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000732234690	1075685885	/nfs/dbraw/zinc/68/58/85/1075685885.db2.gz	VDOHOQYOEXPQJC-WOJBJXKFSA-N	1	1	412.490	2.000	20	0		HDADMO
COc1cccc([C@H](O)CNC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000732234690	1075685887	/nfs/dbraw/zinc/68/58/87/1075685887.db2.gz	VDOHOQYOEXPQJC-WOJBJXKFSA-N	1	1	412.490	2.000	20	0		HDADMO
Cc1nc(CN2CCC(CNC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)oc1C	ZINC000732257542	1075688628	/nfs/dbraw/zinc/68/86/28/1075688628.db2.gz	SATGTFFFDUYXNG-OALUTQOASA-N	1	1	405.543	1.666	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1	ZINC000509435342	1075691103	/nfs/dbraw/zinc/69/11/03/1075691103.db2.gz	JPCKLFNYDBNTSI-PMACEKPBSA-N	1	1	415.582	1.411	20	0		HDADMO
O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)N1CCCCCC1	ZINC001084992891	1075698135	/nfs/dbraw/zinc/69/81/35/1075698135.db2.gz	YKIFLUGQBYPSGY-GPOTWBHZSA-N	1	1	401.551	1.735	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000486225690	1075698440	/nfs/dbraw/zinc/69/84/40/1075698440.db2.gz	LLPXMWVGUYMXKV-BEFAXECRSA-N	1	1	409.538	1.522	20	0		HDADMO
COc1cc2nc(NC[C@@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)nc(N)c2cc1OC	ZINC000536304776	1075702694	/nfs/dbraw/zinc/70/26/94/1075702694.db2.gz	HZQYFXGGONJOBJ-HOTGVXAUSA-N	1	1	409.490	1.698	20	0		HDADMO
COc1cc2[nH+]c(NCc3ccccc3CS(C)(=O)=O)nc(N)c2cc1OC	ZINC000465057457	1075702921	/nfs/dbraw/zinc/70/29/21/1075702921.db2.gz	GRNISSAGYZJZIZ-UHFFFAOYSA-N	1	1	402.476	1.808	20	0		HDADMO
C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)C[C@@H](C)O1	ZINC000577922733	1075703940	/nfs/dbraw/zinc/70/39/40/1075703940.db2.gz	COFZXQITUHGFIJ-ZIAGYGMSSA-N	1	1	421.448	2.335	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000462802393	1075704556	/nfs/dbraw/zinc/70/45/56/1075704556.db2.gz	MSBCINGLTBZETE-PBHICJAKSA-N	1	1	422.489	2.019	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C1CCC(CO)CC1	ZINC000509437205	1075705249	/nfs/dbraw/zinc/70/52/49/1075705249.db2.gz	IOOMAYQCTNAXPU-HDYDNRTBSA-N	1	1	416.566	1.323	20	0		HDADMO
COc1cc2[nH+]c(N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)nc(N)c2cc1OC	ZINC000553577908	1075707420	/nfs/dbraw/zinc/70/74/20/1075707420.db2.gz	DKNCYPFSOTTZOE-LBPRGKRZSA-N	1	1	423.417	1.463	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1	ZINC000530870750	1075711223	/nfs/dbraw/zinc/71/12/23/1075711223.db2.gz	NNDZSXQMONNXEM-MRXNPFEDSA-N	1	1	419.917	1.978	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1	ZINC001545676663	1075711803	/nfs/dbraw/zinc/71/18/03/1075711803.db2.gz	HOKBPEJHBOLNMS-IPMKNSEASA-N	1	1	418.586	1.994	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1	ZINC000471993342	1075712134	/nfs/dbraw/zinc/71/21/34/1075712134.db2.gz	SYPIZZRVPJHBNB-GDBMZVCRSA-N	1	1	405.890	1.587	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1	ZINC000471993342	1075712143	/nfs/dbraw/zinc/71/21/43/1075712143.db2.gz	SYPIZZRVPJHBNB-GDBMZVCRSA-N	1	1	405.890	1.587	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1	ZINC001545676664	1075713207	/nfs/dbraw/zinc/71/32/07/1075713207.db2.gz	HOKBPEJHBOLNMS-OTWHNJEPSA-N	1	1	418.586	1.994	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)O[C@H](C2CC2)C1	ZINC000509438810	1075715367	/nfs/dbraw/zinc/71/53/67/1075715367.db2.gz	COCQTFMBZKTVTP-OPYAIIAOSA-N	1	1	414.550	1.339	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H](C)C1CCOCC1	ZINC000509441325	1075722268	/nfs/dbraw/zinc/72/22/68/1075722268.db2.gz	VLLFQKOXFABRFR-ROUUACIJSA-N	1	1	402.539	1.245	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@H]1C[C@H](C)O	ZINC000509442272	1075726815	/nfs/dbraw/zinc/72/68/15/1075726815.db2.gz	NUONMCULHPJKCW-DYXWJJEUSA-N	1	1	416.566	1.465	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NCc1ccc(N2CCCC2=O)cc1	ZINC000732412588	1075739090	/nfs/dbraw/zinc/73/90/90/1075739090.db2.gz	QBSAZGBSSPCCQI-LJQANCHMSA-N	1	1	412.534	1.764	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1nccn1C)c1ccccc1OC	ZINC000732442024	1075745236	/nfs/dbraw/zinc/74/52/36/1075745236.db2.gz	RCZZZUSLELGKQW-VQIMIIECSA-N	1	1	401.511	1.928	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccco1	ZINC000483990230	1075748100	/nfs/dbraw/zinc/74/81/00/1075748100.db2.gz	WUHSPWPNMHRJNU-HNNXBMFYSA-N	1	1	416.869	1.930	20	0		HDADMO
COC(=O)c1ccc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)cc1	ZINC000543688486	1075748633	/nfs/dbraw/zinc/74/86/33/1075748633.db2.gz	ZGSMCTBECJUQQI-UHFFFAOYSA-N	1	1	409.552	1.511	20	0		HDADMO
CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000732465999	1075753579	/nfs/dbraw/zinc/75/35/79/1075753579.db2.gz	PBUWFUADNUUERO-RKVPGOIHSA-N	1	1	406.914	1.950	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000448291313	1075754594	/nfs/dbraw/zinc/75/45/94/1075754594.db2.gz	LRGGWQGLWFXESI-CQSZACIVSA-N	1	1	411.432	2.173	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000488990606	1075756240	/nfs/dbraw/zinc/75/62/40/1075756240.db2.gz	WNHPLYRKDUYCQN-LIRRHRJNSA-N	1	1	407.522	1.893	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCCNC(=O)c2ccc(F)cc2)cn1	ZINC000732481084	1075758906	/nfs/dbraw/zinc/75/89/06/1075758906.db2.gz	USKMRFNCBBBFHC-UHFFFAOYSA-N	1	1	424.436	1.590	20	0		HDADMO
Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000509264499	1075760549	/nfs/dbraw/zinc/76/05/49/1075760549.db2.gz	QPTVITGKJRXOGE-CYBMUJFWSA-N	1	1	406.533	1.947	20	0		HDADMO
CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1	ZINC000732485260	1075762362	/nfs/dbraw/zinc/76/23/62/1075762362.db2.gz	OVUAZZLHZGKLHY-KRWDZBQOSA-N	1	1	405.499	1.192	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000574126046	1075763205	/nfs/dbraw/zinc/76/32/05/1075763205.db2.gz	VLHRTTSQGQJIMJ-HNAYVOBHSA-N	1	1	411.506	1.642	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000574126046	1075763207	/nfs/dbraw/zinc/76/32/07/1075763207.db2.gz	VLHRTTSQGQJIMJ-HNAYVOBHSA-N	1	1	411.506	1.642	20	0		HDADMO
C[N@H+](CCc1cccc(NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)c1)C1CC1	ZINC000442064812	1075763591	/nfs/dbraw/zinc/76/35/91/1075763591.db2.gz	QUFQVXAQAKQSGS-UHFFFAOYSA-N	1	1	404.474	2.481	20	0		HDADMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)c1)C1CC1	ZINC000442064812	1075763601	/nfs/dbraw/zinc/76/36/01/1075763601.db2.gz	QUFQVXAQAKQSGS-UHFFFAOYSA-N	1	1	404.474	2.481	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C1CC1	ZINC000804222965	1075774811	/nfs/dbraw/zinc/77/48/11/1075774811.db2.gz	FRPKOOATDGKTIY-HZPDHXFCSA-N	1	1	410.559	1.739	20	0		HDADMO
COC(=O)C1CCN(C(=O)CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000732572128	1075782368	/nfs/dbraw/zinc/78/23/68/1075782368.db2.gz	YTMWQCYCYSECCE-CYBMUJFWSA-N	1	1	414.503	1.399	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558583	1075785914	/nfs/dbraw/zinc/78/59/14/1075785914.db2.gz	BSUKLYAVZOQAFN-YLCCHKQJSA-N	1	1	409.538	1.607	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558583	1075785922	/nfs/dbraw/zinc/78/59/22/1075785922.db2.gz	BSUKLYAVZOQAFN-YLCCHKQJSA-N	1	1	409.538	1.607	20	0		HDADMO
O=C(NC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001063363836	1075788122	/nfs/dbraw/zinc/78/81/22/1075788122.db2.gz	SKLHRGKKQNYFPT-XUFBONQXSA-N	1	1	401.551	1.972	20	0		HDADMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C[C@H]1Cc1ccccc1	ZINC000556552931	1075790892	/nfs/dbraw/zinc/79/08/92/1075790892.db2.gz	CDEXUBQUITYGNS-HXUWFJFHSA-N	1	1	418.501	1.650	20	0		HDADMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C[C@H]1Cc1ccccc1	ZINC000556552931	1075790896	/nfs/dbraw/zinc/79/08/96/1075790896.db2.gz	CDEXUBQUITYGNS-HXUWFJFHSA-N	1	1	418.501	1.650	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC2(CC1)OCCc1ccsc12	ZINC000487033031	1075791758	/nfs/dbraw/zinc/79/17/58/1075791758.db2.gz	LSERMXGZDVQLIY-INIZCTEOSA-N	1	1	406.552	1.661	20	0		HDADMO
C[NH+]1CCN([C@H](c2nc(-c3cnc(NCC(F)F)cn3)no2)c2ccccc2)CC1	ZINC000555018218	1075793074	/nfs/dbraw/zinc/79/30/74/1075793074.db2.gz	IFHRHBAPGSYYMK-SFHVURJKSA-N	1	1	415.448	2.540	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1	ZINC000468427317	1075795744	/nfs/dbraw/zinc/79/57/44/1075795744.db2.gz	GVACUUBYLNEXNL-SFHVURJKSA-N	1	1	412.538	2.230	20	0		HDADMO
C[C@H](CCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[N@@H+](C)Cc1ccccc1	ZINC000429280641	1075799306	/nfs/dbraw/zinc/79/93/06/1075799306.db2.gz	QMVPUGLEDCXFAH-OAHLLOKOSA-N	1	1	424.505	2.409	20	0		HDADMO
CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1	ZINC001129306805	1075799458	/nfs/dbraw/zinc/79/94/58/1075799458.db2.gz	CAORARGBMSYGDE-HZPDHXFCSA-N	1	1	401.477	1.988	20	0		HDADMO
CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1	ZINC001129306805	1075799462	/nfs/dbraw/zinc/79/94/62/1075799462.db2.gz	CAORARGBMSYGDE-HZPDHXFCSA-N	1	1	401.477	1.988	20	0		HDADMO
C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C[C@H](C)O1	ZINC000568757464	1075809918	/nfs/dbraw/zinc/80/99/18/1075809918.db2.gz	CQBPKWWXAKMGBU-KBPBESRZSA-N	1	1	421.448	2.335	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1	ZINC000551220934	1075812116	/nfs/dbraw/zinc/81/21/16/1075812116.db2.gz	FPSXDEZCUFILEG-GXTWGEPZSA-N	1	1	413.444	1.760	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)C[N@H+]1Cc1ccccc1	ZINC000467478464	1075815087	/nfs/dbraw/zinc/81/50/87/1075815087.db2.gz	ORSPFCINYPKCBE-ICSRJNTNSA-N	1	1	412.538	2.000	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000611038394	1075818677	/nfs/dbraw/zinc/81/86/77/1075818677.db2.gz	RLZUCVMEKUILTR-AEFFLSMTSA-N	1	1	403.479	1.920	20	0		HDADMO
C[NH+](C)[C@@H](C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000732662192	1075820070	/nfs/dbraw/zinc/82/00/70/1075820070.db2.gz	MPVWZYZAVLDNRC-OAHLLOKOSA-N	1	1	407.458	1.967	20	0		HDADMO
C[C@H](F)CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000509279762	1075820714	/nfs/dbraw/zinc/82/07/14/1075820714.db2.gz	PNIZIDKDCGXPME-ZDUSSCGKSA-N	1	1	421.922	1.979	20	0		HDADMO
C[C@H](F)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000509279762	1075820720	/nfs/dbraw/zinc/82/07/20/1075820720.db2.gz	PNIZIDKDCGXPME-ZDUSSCGKSA-N	1	1	421.922	1.979	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000732673569	1075828239	/nfs/dbraw/zinc/82/82/39/1075828239.db2.gz	NTJWMYCRSNUVEF-ZIAGYGMSSA-N	1	1	412.478	1.474	20	0		HDADMO
CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C(=O)Nc1ncn(C)n1	ZINC000551280976	1075830553	/nfs/dbraw/zinc/83/05/53/1075830553.db2.gz	XXWWTOLRTAMVSS-LJQANCHMSA-N	1	1	412.538	1.945	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000429290830	1075835044	/nfs/dbraw/zinc/83/50/44/1075835044.db2.gz	SIAQDMQPGUKRGA-QDMKHBRRSA-N	1	1	409.531	1.308	20	0		HDADMO
CCCCN(C(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000429290830	1075835046	/nfs/dbraw/zinc/83/50/46/1075835046.db2.gz	SIAQDMQPGUKRGA-QDMKHBRRSA-N	1	1	409.531	1.308	20	0		HDADMO
CC[N@H+]1CCC[C@@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000732704200	1075837388	/nfs/dbraw/zinc/83/73/88/1075837388.db2.gz	SJBSKRUEMITGKU-AWEZNQCLSA-N	1	1	414.494	1.579	20	0		HDADMO
COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1	ZINC000611107065	1075838370	/nfs/dbraw/zinc/83/83/70/1075838370.db2.gz	WRNZHTQCYHBHGH-NSHDSACASA-N	1	1	403.298	1.751	20	0		HDADMO
COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(Br)c1	ZINC000611107065	1075838374	/nfs/dbraw/zinc/83/83/74/1075838374.db2.gz	WRNZHTQCYHBHGH-NSHDSACASA-N	1	1	403.298	1.751	20	0		HDADMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000448478201	1075844150	/nfs/dbraw/zinc/84/41/50/1075844150.db2.gz	MDQDCOSYBYIQGA-UHFFFAOYSA-N	1	1	411.428	2.541	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000611130952	1075848217	/nfs/dbraw/zinc/84/82/17/1075848217.db2.gz	WYTJFMWTUGFELQ-XJKSGUPXSA-N	1	1	409.508	1.116	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000611130952	1075848222	/nfs/dbraw/zinc/84/82/22/1075848222.db2.gz	WYTJFMWTUGFELQ-XJKSGUPXSA-N	1	1	409.508	1.116	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([S@](C)=O)cc1	ZINC000611121639	1075850416	/nfs/dbraw/zinc/85/04/16/1075850416.db2.gz	ILMCSZAFEQFJNG-KHKBPRLJSA-N	1	1	408.568	1.191	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1	ZINC000732772328	1075851815	/nfs/dbraw/zinc/85/18/15/1075851815.db2.gz	XDOOBWORDPTWLV-VSRDTVRMSA-N	1	1	400.523	1.638	20	0		HDADMO
CN(C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732788944	1075857856	/nfs/dbraw/zinc/85/78/56/1075857856.db2.gz	VFIKWLULPKOJTJ-DLBZAZTESA-N	1	1	412.456	1.597	20	0		HDADMO
COC(=O)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)Oc1ccc(F)cc1	ZINC000611160861	1075861767	/nfs/dbraw/zinc/86/17/67/1075861767.db2.gz	WTXYAFNGUOEYGD-OALUTQOASA-N	1	1	401.438	1.922	20	0		HDADMO
COC(=O)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)Oc1ccc(F)cc1	ZINC000611160861	1075861772	/nfs/dbraw/zinc/86/17/72/1075861772.db2.gz	WTXYAFNGUOEYGD-OALUTQOASA-N	1	1	401.438	1.922	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2C)CC1	ZINC000429299764	1075862178	/nfs/dbraw/zinc/86/21/78/1075862178.db2.gz	GPSDHVZBEJXJEO-SJORKVTESA-N	1	1	404.511	1.279	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)NCc1ccc(N2CCCC2=O)cc1	ZINC000732807462	1075863448	/nfs/dbraw/zinc/86/34/48/1075863448.db2.gz	OKTIYVLCOMVSKP-FQEVSTJZSA-N	1	1	412.534	1.907	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)NCc1ccc(N2CCCC2=O)cc1	ZINC000732807462	1075863454	/nfs/dbraw/zinc/86/34/54/1075863454.db2.gz	OKTIYVLCOMVSKP-FQEVSTJZSA-N	1	1	412.534	1.907	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C	ZINC000732781806	1075866547	/nfs/dbraw/zinc/86/65/47/1075866547.db2.gz	UEHAJGYUBDPSTH-INIZCTEOSA-N	1	1	406.527	1.333	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C	ZINC000732781806	1075866555	/nfs/dbraw/zinc/86/65/55/1075866555.db2.gz	UEHAJGYUBDPSTH-INIZCTEOSA-N	1	1	406.527	1.333	20	0		HDADMO
CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000611181040	1075868544	/nfs/dbraw/zinc/86/85/44/1075868544.db2.gz	UVKZPLWIBQSIHH-HXUWFJFHSA-N	1	1	408.587	1.421	20	0		HDADMO
COC(=O)[C@H](CC(F)F)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000611191339	1075873230	/nfs/dbraw/zinc/87/32/30/1075873230.db2.gz	RWWMLPXZHYKLJE-AWEZNQCLSA-N	1	1	407.421	1.490	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(c2ccccc2F)CC1	ZINC000732813099	1075874537	/nfs/dbraw/zinc/87/45/37/1075874537.db2.gz	UYOCRZLAZWNTRM-GOSISDBHSA-N	1	1	402.514	1.951	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(c2ccccc2F)CC1	ZINC000732813099	1075874541	/nfs/dbraw/zinc/87/45/41/1075874541.db2.gz	UYOCRZLAZWNTRM-GOSISDBHSA-N	1	1	402.514	1.951	20	0		HDADMO
CCOC(=O)COc1ccc(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000611211204	1075874816	/nfs/dbraw/zinc/87/48/16/1075874816.db2.gz	UDRWKOYTMMDVGQ-DENIHFKCSA-N	1	1	419.566	1.965	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000732833766	1075881981	/nfs/dbraw/zinc/88/19/81/1075881981.db2.gz	HCYJNDLKUFZTQA-UHFFFAOYSA-N	1	1	412.562	1.077	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)CC[N@@H+]1CCOC	ZINC000611230249	1075882405	/nfs/dbraw/zinc/88/24/05/1075882405.db2.gz	ARSNOTLSAUHAIQ-MRXNPFEDSA-N	1	1	405.495	1.679	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)CC[N@H+]1CCOC	ZINC000611230249	1075882408	/nfs/dbraw/zinc/88/24/08/1075882408.db2.gz	ARSNOTLSAUHAIQ-MRXNPFEDSA-N	1	1	405.495	1.679	20	0		HDADMO
COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc3c2ccnc3C(=O)OC)C1	ZINC000611233543	1075883388	/nfs/dbraw/zinc/88/33/88/1075883388.db2.gz	VQYVDVUYUBGSLT-CQSZACIVSA-N	1	1	407.492	1.411	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc3c2ccnc3C(=O)OC)C1	ZINC000611233543	1075883393	/nfs/dbraw/zinc/88/33/93/1075883393.db2.gz	VQYVDVUYUBGSLT-CQSZACIVSA-N	1	1	407.492	1.411	20	0		HDADMO
C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000611244139	1075885085	/nfs/dbraw/zinc/88/50/85/1075885085.db2.gz	DNUKWJQOJVOUEW-GUYCJALGSA-N	1	1	405.474	1.276	20	0		HDADMO
COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1	ZINC000611285096	1075892270	/nfs/dbraw/zinc/89/22/70/1075892270.db2.gz	ZRJGORYSCVMLOR-ROUUACIJSA-N	1	1	408.930	1.976	20	0		HDADMO
CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cn1	ZINC000732895890	1075898464	/nfs/dbraw/zinc/89/84/64/1075898464.db2.gz	JCMONWZKPOKPBV-UHFFFAOYSA-N	1	1	409.512	1.532	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1	ZINC000611320475	1075900225	/nfs/dbraw/zinc/90/02/25/1075900225.db2.gz	KMXOLGQIJKBOFP-HNNXBMFYSA-N	1	1	423.535	1.134	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1	ZINC000611320475	1075900230	/nfs/dbraw/zinc/90/02/30/1075900230.db2.gz	KMXOLGQIJKBOFP-HNNXBMFYSA-N	1	1	423.535	1.134	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000611322265	1075900546	/nfs/dbraw/zinc/90/05/46/1075900546.db2.gz	VVNGVBBLYDZGRH-CQSZACIVSA-N	1	1	411.524	1.492	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1	ZINC000611322265	1075900547	/nfs/dbraw/zinc/90/05/47/1075900547.db2.gz	VVNGVBBLYDZGRH-CQSZACIVSA-N	1	1	411.524	1.492	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732871390	1075901822	/nfs/dbraw/zinc/90/18/22/1075901822.db2.gz	HBRPJBQTSUEHAY-PMACEKPBSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732871390	1075901824	/nfs/dbraw/zinc/90/18/24/1075901824.db2.gz	HBRPJBQTSUEHAY-PMACEKPBSA-N	1	1	413.518	1.590	20	0		HDADMO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN([C@H]4CCC[C@@H]4O)CC3)cc2)CC1	ZINC000732871996	1075902096	/nfs/dbraw/zinc/90/20/96/1075902096.db2.gz	QKAWUBZNXZIHRT-VXKWHMMOSA-N	1	1	415.582	1.298	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)N1CC[NH+](C)CC1	ZINC000732912347	1075910052	/nfs/dbraw/zinc/91/00/52/1075910052.db2.gz	KNEUKDQTFXGLKW-LLVKDONJSA-N	1	1	406.399	1.667	20	0		HDADMO
CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000611365404	1075920105	/nfs/dbraw/zinc/92/01/05/1075920105.db2.gz	OYZSUCYZMGIQRG-GJZGRUSLSA-N	1	1	409.508	1.229	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000611380238	1075921398	/nfs/dbraw/zinc/92/13/98/1075921398.db2.gz	OWNDTTCAAPKTHO-CHWSQXEVSA-N	1	1	424.295	1.917	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)NCCc2c[nH]c3ccc(OC)cc23)[C@H](C)C1	ZINC000611396070	1075924636	/nfs/dbraw/zinc/92/46/36/1075924636.db2.gz	YTYLFJUIDQDRLA-OAHLLOKOSA-N	1	1	402.495	1.998	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)NCCc2c[nH]c3ccc(OC)cc23)[C@H](C)C1	ZINC000611396070	1075924638	/nfs/dbraw/zinc/92/46/38/1075924638.db2.gz	YTYLFJUIDQDRLA-OAHLLOKOSA-N	1	1	402.495	1.998	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1	ZINC000611401384	1075925074	/nfs/dbraw/zinc/92/50/74/1075925074.db2.gz	PZUZNWPHTFNILG-HNNXBMFYSA-N	1	1	401.463	1.159	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1	ZINC000611401384	1075925078	/nfs/dbraw/zinc/92/50/78/1075925078.db2.gz	PZUZNWPHTFNILG-HNNXBMFYSA-N	1	1	401.463	1.159	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)[C@@H](C)C1	ZINC000611401388	1075925336	/nfs/dbraw/zinc/92/53/36/1075925336.db2.gz	QMEHBTODCRKHJO-HNAYVOBHSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)[C@@H](C)C1	ZINC000611401388	1075925340	/nfs/dbraw/zinc/92/53/40/1075925340.db2.gz	QMEHBTODCRKHJO-HNAYVOBHSA-N	1	1	407.486	1.676	20	0		HDADMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CCO)CCN2CCOCC2)cc1	ZINC000489765727	1075926782	/nfs/dbraw/zinc/92/67/82/1075926782.db2.gz	ACJISSVDHFVTEJ-FQEVSTJZSA-N	1	1	418.582	1.897	20	0		HDADMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CCO)CCN1CCOCC1	ZINC000489776752	1075928620	/nfs/dbraw/zinc/92/86/20/1075928620.db2.gz	MOYTXMUWBYBXST-FQEVSTJZSA-N	1	1	418.582	1.897	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21	ZINC000732964203	1075932739	/nfs/dbraw/zinc/93/27/39/1075932739.db2.gz	RXHQWFFFCGDJPZ-UHFFFAOYSA-N	1	1	403.508	1.717	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC[N@@H+]1CCOC	ZINC000611460540	1075940697	/nfs/dbraw/zinc/94/06/97/1075940697.db2.gz	AZOKYVHMXOZBLJ-AWEZNQCLSA-N	1	1	411.524	1.741	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC[N@H+]1CCOC	ZINC000611460540	1075940700	/nfs/dbraw/zinc/94/07/00/1075940700.db2.gz	AZOKYVHMXOZBLJ-AWEZNQCLSA-N	1	1	411.524	1.741	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC[N@@H+]1CCOC	ZINC000611460541	1075940739	/nfs/dbraw/zinc/94/07/39/1075940739.db2.gz	AZOKYVHMXOZBLJ-CQSZACIVSA-N	1	1	411.524	1.741	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC[N@H+]1CCOC	ZINC000611460541	1075940741	/nfs/dbraw/zinc/94/07/41/1075940741.db2.gz	AZOKYVHMXOZBLJ-CQSZACIVSA-N	1	1	411.524	1.741	20	0		HDADMO
C[C@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCCC[C@@H]1C	ZINC000732991085	1075941725	/nfs/dbraw/zinc/94/17/25/1075941725.db2.gz	BSBCRTKGNSWRQV-UONOGXRCSA-N	1	1	410.531	1.813	20	0		HDADMO
C[C@@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000733028279	1075945879	/nfs/dbraw/zinc/94/58/79/1075945879.db2.gz	UDBNCJNTYXBQDB-CRAIPNDOSA-N	1	1	408.520	1.134	20	0		HDADMO
COC(=O)c1cc(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)ccc1OC	ZINC000611545744	1075959489	/nfs/dbraw/zinc/95/94/89/1075959489.db2.gz	WIRMYXWDPBDSBD-UHFFFAOYSA-N	1	1	409.402	1.317	20	0		HDADMO
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000104688159	1075959555	/nfs/dbraw/zinc/95/95/55/1075959555.db2.gz	PBQBEBFABWUPAB-QGZVFWFLSA-N	1	1	415.515	1.672	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)nc1C1CC1	ZINC000611547262	1075960942	/nfs/dbraw/zinc/96/09/42/1075960942.db2.gz	LFGMXKQKLQROIW-UHFFFAOYSA-N	1	1	420.429	1.581	20	0		HDADMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1	ZINC000733040626	1075962484	/nfs/dbraw/zinc/96/24/84/1075962484.db2.gz	QGEBQNNRQRPDPY-HNNXBMFYSA-N	1	1	410.531	1.670	20	0		HDADMO
Cn1ccnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3COC[C@@H]32)CC1	ZINC001079262984	1075968078	/nfs/dbraw/zinc/96/80/78/1075968078.db2.gz	GVFHCBWXPLSJFC-FQBWVUSXSA-N	1	1	400.523	1.427	20	0		HDADMO
NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1	ZINC000105152871	1075969477	/nfs/dbraw/zinc/96/94/77/1075969477.db2.gz	ZBOMGUDBGBRLLP-HNNXBMFYSA-N	1	1	415.562	1.511	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1=O	ZINC000733145645	1075976030	/nfs/dbraw/zinc/97/60/30/1075976030.db2.gz	FHYJZCIMTNVCNI-AEFFLSMTSA-N	1	1	418.513	1.934	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NCc3ccc(C[NH+]4CCN(C)CC4)cc3)c2C)no1	ZINC000506512704	1075976286	/nfs/dbraw/zinc/97/62/86/1075976286.db2.gz	VARZMXOHUOAXCG-UHFFFAOYSA-N	1	1	423.521	1.609	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1=O	ZINC000733129378	1075979550	/nfs/dbraw/zinc/97/95/50/1075979550.db2.gz	XEONHJQTKVRCTK-CVEARBPZSA-N	1	1	411.506	1.627	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733131722	1075980205	/nfs/dbraw/zinc/98/02/05/1075980205.db2.gz	INHTVKFLSVEZBN-XSFVSMFZSA-N	1	1	421.501	1.179	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O	ZINC000733133862	1075981001	/nfs/dbraw/zinc/98/10/01/1075981001.db2.gz	GDSCIMAGWXIYFR-WMZOPIPTSA-N	1	1	422.570	1.835	20	0		HDADMO
COC(=O)Nc1ccccc1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000733146343	1075982748	/nfs/dbraw/zinc/98/27/48/1075982748.db2.gz	XAYRWYQWLOVXEE-UHFFFAOYSA-N	1	1	410.474	1.939	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(C3N=NC(=S)N3C)CC2)CC1=O	ZINC000733151199	1075987282	/nfs/dbraw/zinc/98/72/82/1075987282.db2.gz	BFCFMUKAVHUOJC-HOTGVXAUSA-N	1	1	420.583	1.143	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C(F)(F)F)n1	ZINC000733155298	1075988866	/nfs/dbraw/zinc/98/88/66/1075988866.db2.gz	AKUJHCIKWILTID-PBHICJAKSA-N	1	1	422.517	1.980	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C(F)(F)F)n1	ZINC000733155301	1075989182	/nfs/dbraw/zinc/98/91/82/1075989182.db2.gz	AKUJHCIKWILTID-YOEHRIQHSA-N	1	1	422.517	1.980	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H](O)CN2CCOC[C@H]2c2nnc(-c3cccs3)o2)C[C@@H](C)O1	ZINC000510938480	1075992067	/nfs/dbraw/zinc/99/20/67/1075992067.db2.gz	SHZYPVYXCUZSNW-WCVJEAGWSA-N	1	1	408.524	1.642	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1	ZINC000733197924	1076003082	/nfs/dbraw/zinc/00/30/82/1076003082.db2.gz	VQQPIOVHTQXDHQ-TXRMIHFUSA-N	1	1	421.563	1.490	20	0		HDADMO
O=S(=O)(c1c(F)cccc1F)N1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1	ZINC000733183566	1076011209	/nfs/dbraw/zinc/01/12/09/1076011209.db2.gz	DMDAECNLVUMDCZ-UHFFFAOYSA-N	1	1	409.462	1.866	20	0		HDADMO
COC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1	ZINC000733183285	1076011653	/nfs/dbraw/zinc/01/16/53/1076011653.db2.gz	IYLWVBNBGQHHTJ-KKSFZXQISA-N	1	1	403.479	1.974	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1	ZINC000733183285	1076011658	/nfs/dbraw/zinc/01/16/58/1076011658.db2.gz	IYLWVBNBGQHHTJ-KKSFZXQISA-N	1	1	403.479	1.974	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCC[N@@H+](C)C3CCCC3)C2)no1	ZINC000513997531	1076014636	/nfs/dbraw/zinc/01/46/36/1076014636.db2.gz	STFJPBWMXJINOG-KRWDZBQOSA-N	1	1	406.531	1.639	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](N(Cc3noc(CC)n3)C(C)=O)C2)C1	ZINC000514029850	1076016947	/nfs/dbraw/zinc/01/69/47/1076016947.db2.gz	XDHVKRFYCHUEOR-SJORKVTESA-N	1	1	406.531	1.496	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)C[C@@H](C)O1	ZINC000514125110	1076017737	/nfs/dbraw/zinc/01/77/37/1076017737.db2.gz	QPKVBZNZRCQHQJ-GGPKGHCWSA-N	1	1	412.534	1.272	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)C[C@@H](C)O1	ZINC000514125110	1076017744	/nfs/dbraw/zinc/01/77/44/1076017744.db2.gz	QPKVBZNZRCQHQJ-GGPKGHCWSA-N	1	1	412.534	1.272	20	0		HDADMO
CCOc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H](OC)C2)cc1	ZINC001082155467	1076023625	/nfs/dbraw/zinc/02/36/25/1076023625.db2.gz	CGWDQCRXTNPLKQ-SSSFQFABSA-N	1	1	404.507	1.847	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1	ZINC000733338531	1076046235	/nfs/dbraw/zinc/04/62/35/1076046235.db2.gz	YWZPUOFURDULKH-GASCZTMLSA-N	1	1	411.547	1.236	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccco1	ZINC000053525697	1076058528	/nfs/dbraw/zinc/05/85/28/1076058528.db2.gz	UPQLRMOYXYPGRZ-GOSISDBHSA-N	1	1	405.543	1.612	20	0		HDADMO
CN(CC(=O)OCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(=O)C1CC1	ZINC000733512789	1076087536	/nfs/dbraw/zinc/08/75/36/1076087536.db2.gz	TVIMDDRSEZSXQZ-UHFFFAOYSA-N	1	1	423.513	1.896	20	0		HDADMO
CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000727324471	1076093247	/nfs/dbraw/zinc/09/32/47/1076093247.db2.gz	HNKTZODPIXHLCU-UHFFFAOYSA-N	1	1	418.494	1.050	20	0		HDADMO
C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(S(N)(=O)=O)c1	ZINC000727318746	1076096150	/nfs/dbraw/zinc/09/61/50/1076096150.db2.gz	FWXJCDQLQUAXKE-ZDUSSCGKSA-N	1	1	416.503	1.516	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OC)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000727434931	1076118993	/nfs/dbraw/zinc/11/89/93/1076118993.db2.gz	OKRNNFMLPWZVED-MAUKXSAKSA-N	1	1	401.463	1.695	20	0		HDADMO
COC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OC)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000727434931	1076119000	/nfs/dbraw/zinc/11/90/00/1076119000.db2.gz	OKRNNFMLPWZVED-MAUKXSAKSA-N	1	1	401.463	1.695	20	0		HDADMO
NC(=O)C1CCN(c2ccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)cc2)CC1	ZINC000733670568	1076152352	/nfs/dbraw/zinc/15/23/52/1076152352.db2.gz	URXDGESKMWXBBR-UHFFFAOYSA-N	1	1	413.522	1.024	20	0		HDADMO
CO[C@H](CNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000733672909	1076155097	/nfs/dbraw/zinc/15/50/97/1076155097.db2.gz	AHYZNEARKKOYBY-DVOMOZLQSA-N	1	1	417.428	1.928	20	0		HDADMO
CO[C@H](CNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000733672909	1076155108	/nfs/dbraw/zinc/15/51/08/1076155108.db2.gz	AHYZNEARKKOYBY-DVOMOZLQSA-N	1	1	417.428	1.928	20	0		HDADMO
CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000733672912	1076155507	/nfs/dbraw/zinc/15/55/07/1076155507.db2.gz	AHYZNEARKKOYBY-ZENOOKHLSA-N	1	1	417.428	1.928	20	0		HDADMO
CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000733672912	1076155516	/nfs/dbraw/zinc/15/55/16/1076155516.db2.gz	AHYZNEARKKOYBY-ZENOOKHLSA-N	1	1	417.428	1.928	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F	ZINC000727611373	1076180332	/nfs/dbraw/zinc/18/03/32/1076180332.db2.gz	RETOLTSLKVPWDP-BETUJISGSA-N	1	1	424.473	1.947	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F	ZINC000727611373	1076180346	/nfs/dbraw/zinc/18/03/46/1076180346.db2.gz	RETOLTSLKVPWDP-BETUJISGSA-N	1	1	424.473	1.947	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	ZINC000733781493	1076204471	/nfs/dbraw/zinc/20/44/71/1076204471.db2.gz	ZLTOMCSTOAYUJC-SJORKVTESA-N	1	1	406.552	1.597	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@@H]3C3CCC3)C2=O)c1	ZINC000733794492	1076204700	/nfs/dbraw/zinc/20/47/00/1076204700.db2.gz	KURNLALLVAYNRF-UTKZUKDTSA-N	1	1	400.479	1.758	20	0		HDADMO
COC(=O)[C@@H]1CC12CC[NH+](Cn1c3ccc(S(=O)(=O)N(C)C)cc3oc1=O)CC2	ZINC000733792442	1076209023	/nfs/dbraw/zinc/20/90/23/1076209023.db2.gz	OZFRFRAOSZGCRL-AWEZNQCLSA-N	1	1	423.491	1.077	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccccc1Cl	ZINC000727752528	1076225507	/nfs/dbraw/zinc/22/55/07/1076225507.db2.gz	QNBUAJPOZHFRHY-RDJZCZTQSA-N	1	1	408.911	1.789	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C2)no1	ZINC000530432250	1076235161	/nfs/dbraw/zinc/23/51/61/1076235161.db2.gz	CDWHXXAWPFKSTP-QGZVFWFLSA-N	1	1	407.515	1.084	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1	ZINC000733885505	1076239843	/nfs/dbraw/zinc/23/98/43/1076239843.db2.gz	HBPMXKRLGQEJOX-UHFFFAOYSA-N	1	1	403.502	1.448	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1	ZINC000733885505	1076239846	/nfs/dbraw/zinc/23/98/46/1076239846.db2.gz	HBPMXKRLGQEJOX-UHFFFAOYSA-N	1	1	403.502	1.448	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1	ZINC000733885505	1076239848	/nfs/dbraw/zinc/23/98/48/1076239848.db2.gz	HBPMXKRLGQEJOX-UHFFFAOYSA-N	1	1	403.502	1.448	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C2)no1	ZINC000533584712	1076243651	/nfs/dbraw/zinc/24/36/51/1076243651.db2.gz	QRIBOGPEWNBNCB-MSOLQXFVSA-N	1	1	419.526	1.225	20	0		HDADMO
CN1Cc2ccccc2[C@@H](NC(=O)COCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1	ZINC000533833757	1076246038	/nfs/dbraw/zinc/24/60/38/1076246038.db2.gz	ZCLCOQUKTZKWNT-VXKWHMMOSA-N	1	1	422.529	1.609	20	0		HDADMO
CN1Cc2ccccc2[C@@H](NC(=O)COCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1	ZINC000533833757	1076246042	/nfs/dbraw/zinc/24/60/42/1076246042.db2.gz	ZCLCOQUKTZKWNT-VXKWHMMOSA-N	1	1	422.529	1.609	20	0		HDADMO
CCN(C1CC1)S(=O)(=O)c1c(C)nn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000534383956	1076247462	/nfs/dbraw/zinc/24/74/62/1076247462.db2.gz	DFMQGOZKBVFTCE-QWQRMKEZSA-N	1	1	414.572	1.143	20	0		HDADMO
CCN(C1CC1)S(=O)(=O)c1c(C)nn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000534383956	1076247466	/nfs/dbraw/zinc/24/74/66/1076247466.db2.gz	DFMQGOZKBVFTCE-QWQRMKEZSA-N	1	1	414.572	1.143	20	0		HDADMO
C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000534560466	1076248668	/nfs/dbraw/zinc/24/86/68/1076248668.db2.gz	ZASFPOOKTZQZBP-GHTZIAJQSA-N	1	1	413.566	1.901	20	0		HDADMO
C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000534560466	1076248676	/nfs/dbraw/zinc/24/86/76/1076248676.db2.gz	ZASFPOOKTZQZBP-GHTZIAJQSA-N	1	1	413.566	1.901	20	0		HDADMO
Cc1nn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)NC(C)(C)C	ZINC000535121647	1076249926	/nfs/dbraw/zinc/24/99/26/1076249926.db2.gz	RXCXWZNJHDWVMY-DVOMOZLQSA-N	1	1	402.561	1.047	20	0		HDADMO
Cc1nn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)NC(C)(C)C	ZINC000535121647	1076249938	/nfs/dbraw/zinc/24/99/38/1076249938.db2.gz	RXCXWZNJHDWVMY-DVOMOZLQSA-N	1	1	402.561	1.047	20	0		HDADMO
Cc1nn(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)NC(C)(C)C	ZINC000535121654	1076249959	/nfs/dbraw/zinc/24/99/59/1076249959.db2.gz	RXCXWZNJHDWVMY-ZENOOKHLSA-N	1	1	402.561	1.047	20	0		HDADMO
Cc1nn(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)NC(C)(C)C	ZINC000535121654	1076249966	/nfs/dbraw/zinc/24/99/66/1076249966.db2.gz	RXCXWZNJHDWVMY-ZENOOKHLSA-N	1	1	402.561	1.047	20	0		HDADMO
CCN(CC)S(=O)(=O)c1c(C)nn(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C	ZINC000535120769	1076250140	/nfs/dbraw/zinc/25/01/40/1076250140.db2.gz	LYQMSKBOUOXOQG-CKEIUWERSA-N	1	1	402.561	1.001	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000535278023	1076251844	/nfs/dbraw/zinc/25/18/44/1076251844.db2.gz	OUFWGQHSXKZEMA-FQEVSTJZSA-N	1	1	414.531	1.785	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000535278023	1076251851	/nfs/dbraw/zinc/25/18/51/1076251851.db2.gz	OUFWGQHSXKZEMA-FQEVSTJZSA-N	1	1	414.531	1.785	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C1	ZINC000535295285	1076252275	/nfs/dbraw/zinc/25/22/75/1076252275.db2.gz	REUIZUHFNPJSTL-LJQANCHMSA-N	1	1	403.504	1.955	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C1	ZINC000535295285	1076252281	/nfs/dbraw/zinc/25/22/81/1076252281.db2.gz	REUIZUHFNPJSTL-LJQANCHMSA-N	1	1	403.504	1.955	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](O)C2)cc1S(=O)(=O)N1CCCCC1	ZINC001168767233	1076255469	/nfs/dbraw/zinc/25/54/69/1076255469.db2.gz	ZBBMVNOXRDIIQB-MAUKXSAKSA-N	1	1	409.552	1.811	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)cc1S(=O)(=O)N1CCCCC1	ZINC001168767233	1076255471	/nfs/dbraw/zinc/25/54/71/1076255471.db2.gz	ZBBMVNOXRDIIQB-MAUKXSAKSA-N	1	1	409.552	1.811	20	0		HDADMO
NS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(Cl)c1	ZINC000536102465	1076255695	/nfs/dbraw/zinc/25/56/95/1076255695.db2.gz	HWZGPZCNJUEMEC-UHFFFAOYSA-N	1	1	415.943	1.752	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+](C)CCC(=O)NC)NC(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000727832496	1076264263	/nfs/dbraw/zinc/26/42/63/1076264263.db2.gz	FJRGIYWJJCHJQH-KRWDZBQOSA-N	1	1	408.886	1.579	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](C)CCC(=O)NC)NC(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000727832496	1076264268	/nfs/dbraw/zinc/26/42/68/1076264268.db2.gz	FJRGIYWJJCHJQH-KRWDZBQOSA-N	1	1	408.886	1.579	20	0		HDADMO
CCOC(=O)C1C(C[N@H+](C)CCC(=O)NC)=NC(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000727832496	1076264275	/nfs/dbraw/zinc/26/42/75/1076264275.db2.gz	FJRGIYWJJCHJQH-KRWDZBQOSA-N	1	1	408.886	1.579	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+](C)CCC(=O)NC)=NC(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000727832496	1076264279	/nfs/dbraw/zinc/26/42/79/1076264279.db2.gz	FJRGIYWJJCHJQH-KRWDZBQOSA-N	1	1	408.886	1.579	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000727838894	1076266545	/nfs/dbraw/zinc/26/65/45/1076266545.db2.gz	SWEBZOZZKMMRIK-HUUCEWRRSA-N	1	1	404.964	1.405	20	0		HDADMO
COCCN1CCC[C@@H]1C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000727838894	1076266552	/nfs/dbraw/zinc/26/65/52/1076266552.db2.gz	SWEBZOZZKMMRIK-HUUCEWRRSA-N	1	1	404.964	1.405	20	0		HDADMO
O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CN2C(=O)NC3(CCOCC3)C2=O)C1	ZINC000727819358	1076267088	/nfs/dbraw/zinc/26/70/88/1076267088.db2.gz	SHVDRAVPURJTQE-ZDUSSCGKSA-N	1	1	421.885	1.444	20	0		HDADMO
O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CN2C(=O)NC3(CCOCC3)C2=O)C1	ZINC000727819358	1076267090	/nfs/dbraw/zinc/26/70/90/1076267090.db2.gz	SHVDRAVPURJTQE-ZDUSSCGKSA-N	1	1	421.885	1.444	20	0		HDADMO
C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCS(C)(=O)=O	ZINC000727936819	1076289749	/nfs/dbraw/zinc/28/97/49/1076289749.db2.gz	LMJCZJQPOUBMDB-UHFFFAOYSA-N	1	1	406.346	1.567	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@](C)(O)c2ccc(F)cc2F)CC1=O	ZINC000734022501	1076292206	/nfs/dbraw/zinc/29/22/06/1076292206.db2.gz	JSKBSHXHEUZPKW-PXARDIRTSA-N	1	1	409.477	1.621	20	0		HDADMO
COc1ncc(C(=O)O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cn1	ZINC000734046021	1076298507	/nfs/dbraw/zinc/29/85/07/1076298507.db2.gz	JVNZGECBCAOELV-OAHLLOKOSA-N	1	1	414.462	1.179	20	0		HDADMO
CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1=O	ZINC000734106190	1076308417	/nfs/dbraw/zinc/30/84/17/1076308417.db2.gz	QOHDXLWOHFFQPB-LJQANCHMSA-N	1	1	420.513	1.964	20	0		HDADMO
Cc1cccc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H]2C1	ZINC001083151627	1076317304	/nfs/dbraw/zinc/31/73/04/1076317304.db2.gz	JISILMPWIFKFGO-BGJPATFMSA-N	1	1	400.519	1.767	20	0		HDADMO
Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CCC[C@@H](C3OCCO3)C2)CC1	ZINC000728053530	1076320707	/nfs/dbraw/zinc/32/07/07/1076320707.db2.gz	NUBWJDOQLHMDOA-GOSISDBHSA-N	1	1	415.534	1.801	20	0		HDADMO
C[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@@H]1CCCO1	ZINC000728055537	1076322555	/nfs/dbraw/zinc/32/25/55/1076322555.db2.gz	UDVCYUHFIHODKC-POUQMFDLSA-N	1	1	407.536	1.242	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@@H]1CCCO1	ZINC000728055537	1076322563	/nfs/dbraw/zinc/32/25/63/1076322563.db2.gz	UDVCYUHFIHODKC-POUQMFDLSA-N	1	1	407.536	1.242	20	0		HDADMO
COCCOc1ncccc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1	ZINC000728141938	1076341804	/nfs/dbraw/zinc/34/18/04/1076341804.db2.gz	HLZCKIXXOKUAMO-UHFFFAOYSA-N	1	1	410.434	1.251	20	0		HDADMO
COc1cc(OC)cc(C(=O)NCC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1	ZINC000024622272	1076345693	/nfs/dbraw/zinc/34/56/93/1076345693.db2.gz	MIVFVOJMPGLHAR-UHFFFAOYSA-N	1	1	411.502	1.821	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)CC1	ZINC000728159650	1076350154	/nfs/dbraw/zinc/35/01/54/1076350154.db2.gz	PAGZMLBUWKWZJL-HXOBKFHXSA-N	1	1	421.501	1.754	20	0		HDADMO
CCC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H]1COc2ccccc2O1	ZINC000026663462	1076358094	/nfs/dbraw/zinc/35/80/94/1076358094.db2.gz	PGLAGGXWNOFFHF-MRXNPFEDSA-N	1	1	419.503	1.825	20	0		HDADMO
CCC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H]1COc2ccccc2O1	ZINC000026663462	1076358099	/nfs/dbraw/zinc/35/80/99/1076358099.db2.gz	PGLAGGXWNOFFHF-MRXNPFEDSA-N	1	1	419.503	1.825	20	0		HDADMO
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[NH+](Cc2cccs2)CC1	ZINC000027363796	1076359559	/nfs/dbraw/zinc/35/95/59/1076359559.db2.gz	CCCPAEJNLKOCHE-UHFFFAOYSA-N	1	1	420.560	1.102	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CC[N@H+](CCOc3ccc(F)cc3)C[C@H]21	ZINC001084540568	1076370506	/nfs/dbraw/zinc/37/05/06/1076370506.db2.gz	KMROFXOHYRIRCV-QFIDOLFYSA-N	1	1	404.482	1.789	20	0		HDADMO
CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CCCn2cc[nH+]c2C)c1	ZINC000729974795	1076401084	/nfs/dbraw/zinc/40/10/84/1076401084.db2.gz	ATRGSOGQKIUNKC-CYBMUJFWSA-N	1	1	407.496	1.023	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)C1	ZINC000729981621	1076405615	/nfs/dbraw/zinc/40/56/15/1076405615.db2.gz	ZKSJRIGFOURZHW-AWEZNQCLSA-N	1	1	401.504	1.353	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)CN2Cc3ccccc3C2=O)CC1	ZINC000730053202	1076428025	/nfs/dbraw/zinc/42/80/25/1076428025.db2.gz	BQIVODKYDWZKLW-UHFFFAOYSA-N	1	1	421.497	1.838	20	0		HDADMO
COC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000730083696	1076431419	/nfs/dbraw/zinc/43/14/19/1076431419.db2.gz	TUUVLSPIAUIHIB-IAGOWNOFSA-N	1	1	411.543	1.460	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC000730217916	1076479580	/nfs/dbraw/zinc/47/95/80/1076479580.db2.gz	ZMCQMOVVTQORDW-YJBOKZPZSA-N	1	1	404.486	1.238	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1	ZINC000730218771	1076480040	/nfs/dbraw/zinc/48/00/40/1076480040.db2.gz	PLAYUBWAROUWLM-LJQANCHMSA-N	1	1	411.506	1.106	20	0		HDADMO
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000730219208	1076480415	/nfs/dbraw/zinc/48/04/15/1076480415.db2.gz	WKPHYIYBTPSJHC-GJZGRUSLSA-N	1	1	412.556	1.237	20	0		HDADMO
CCOc1cccc(N2CC[NH+](CCCN3C(=O)CS/C3=C\C(=O)OC)CC2)n1	ZINC000730264474	1076505883	/nfs/dbraw/zinc/50/58/83/1076505883.db2.gz	DUWCCWLXQQYBAU-RGEXLXHISA-N	1	1	420.535	1.582	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1	ZINC000730264215	1076506467	/nfs/dbraw/zinc/50/64/67/1076506467.db2.gz	QASIECVNQXFKEF-QGZVFWFLSA-N	1	1	408.543	1.446	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1	ZINC000730264215	1076506475	/nfs/dbraw/zinc/50/64/75/1076506475.db2.gz	QASIECVNQXFKEF-QGZVFWFLSA-N	1	1	408.543	1.446	20	0		HDADMO
CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1	ZINC000730313962	1076528609	/nfs/dbraw/zinc/52/86/09/1076528609.db2.gz	YHVMWTFCPDGHHU-WMZOPIPTSA-N	1	1	419.547	1.747	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1	ZINC000730379101	1076552446	/nfs/dbraw/zinc/55/24/46/1076552446.db2.gz	YWTZLZVTRGLGOL-OAHLLOKOSA-N	1	1	404.515	1.141	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1	ZINC000730379101	1076552447	/nfs/dbraw/zinc/55/24/47/1076552447.db2.gz	YWTZLZVTRGLGOL-OAHLLOKOSA-N	1	1	404.515	1.141	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1	ZINC000730382709	1076553220	/nfs/dbraw/zinc/55/32/20/1076553220.db2.gz	WBIIVRLNHYSLQX-UHFFFAOYSA-N	1	1	419.507	1.214	20	0		HDADMO
O=C(Nc1c(F)cccc1-n1cccn1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000730387083	1076566859	/nfs/dbraw/zinc/56/68/59/1076566859.db2.gz	QADGKJLGOYIWJI-INIZCTEOSA-N	1	1	415.469	1.663	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cn1	ZINC000730390572	1076572234	/nfs/dbraw/zinc/57/22/34/1076572234.db2.gz	HUFUSSOZOZXFPU-HNNXBMFYSA-N	1	1	414.466	1.640	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000730593449	1076610810	/nfs/dbraw/zinc/61/08/10/1076610810.db2.gz	TVUZUQBXQUDCKH-KRWDZBQOSA-N	1	1	414.554	1.049	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000730825970	1076663089	/nfs/dbraw/zinc/66/30/89/1076663089.db2.gz	SYOAKRHAPLHGOW-GOEBONIOSA-N	1	1	416.444	1.625	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@@H]1CCCOC1	ZINC000730808618	1076665161	/nfs/dbraw/zinc/66/51/61/1076665161.db2.gz	PHZQRGMNFAQXJC-WKSDAVQWSA-N	1	1	421.563	1.490	20	0		HDADMO
CN1CCN(c2ccccc2NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1	ZINC000730916545	1076690162	/nfs/dbraw/zinc/69/01/62/1076690162.db2.gz	BHNAYFCYMWAONT-LJQANCHMSA-N	1	1	413.566	1.854	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C1	ZINC000730936065	1076696885	/nfs/dbraw/zinc/69/68/85/1076696885.db2.gz	HUAAZNWYEGHHMJ-LBPRGKRZSA-N	1	1	418.357	1.771	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=S)NCCc3cccnc3)c2)C1	ZINC000730949867	1076700401	/nfs/dbraw/zinc/70/04/01/1076700401.db2.gz	HLSUOUWYIFYWPC-FQEVSTJZSA-N	1	1	411.575	1.986	20	0		HDADMO
COC(=O)N[C@H](C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)C(C)C	ZINC000730962808	1076701589	/nfs/dbraw/zinc/70/15/89/1076701589.db2.gz	SDJVGVDXEWYABU-SFHVURJKSA-N	1	1	424.473	1.806	20	0		HDADMO
CN(CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(=O)OC(C)(C)C	ZINC000731008732	1076709626	/nfs/dbraw/zinc/70/96/26/1076709626.db2.gz	PMXVKZJPGPYGNL-GOSISDBHSA-N	1	1	418.538	1.867	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1	ZINC000731008128	1076710122	/nfs/dbraw/zinc/71/01/22/1076710122.db2.gz	YVZFBMXACMMWFO-OAHLLOKOSA-N	1	1	415.531	1.743	20	0		HDADMO
CCc1noc(CCCC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1	ZINC000731007992	1076710138	/nfs/dbraw/zinc/71/01/38/1076710138.db2.gz	ATSDTMNHSOLJOI-GOSISDBHSA-N	1	1	413.522	1.968	20	0		HDADMO
NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1	ZINC000731020287	1076712475	/nfs/dbraw/zinc/71/24/75/1076712475.db2.gz	QKPBIHKFJNXJSW-GSSTWSARSA-N	1	1	410.518	1.390	20	0		HDADMO
CSCC[C@@H]1NC(=S)N(Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1=O	ZINC000731041755	1076716839	/nfs/dbraw/zinc/71/68/39/1076716839.db2.gz	UKIHMYVZABWZNC-IRXDYDNUSA-N	1	1	420.604	1.722	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NCCc2ccc(Br)cc2F)CC1	ZINC000731043267	1076717265	/nfs/dbraw/zinc/71/72/65/1076717265.db2.gz	BPDGGBPHZRHFFT-UHFFFAOYSA-N	1	1	415.307	1.640	20	0		HDADMO
CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cn1	ZINC000731134218	1076737040	/nfs/dbraw/zinc/73/70/40/1076737040.db2.gz	KRAUSQWEBLVINP-OAHLLOKOSA-N	1	1	403.483	1.968	20	0		HDADMO
CC1(C)C[N@H+](C2(CNC(=S)NCCCN3CCOCC3)CCCCC2)CCO1	ZINC000731160199	1076739672	/nfs/dbraw/zinc/73/96/72/1076739672.db2.gz	TZDKTDARLZUJBV-UHFFFAOYSA-N	1	1	412.644	1.987	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2)CC1	ZINC000731201720	1076752643	/nfs/dbraw/zinc/75/26/43/1076752643.db2.gz	SHOIENUSDDLZNO-INIZCTEOSA-N	1	1	410.559	1.692	20	0		HDADMO
CCOC(=O)N(C)C1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1	ZINC000731232751	1076761279	/nfs/dbraw/zinc/76/12/79/1076761279.db2.gz	JVPWHUMKRRXVFA-WMZOPIPTSA-N	1	1	408.543	1.399	20	0		HDADMO
NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)sc1Br	ZINC000731223544	1076767588	/nfs/dbraw/zinc/76/75/88/1076767588.db2.gz	FPAFJZDZGPSDGY-QMMMGPOBSA-N	1	1	408.343	1.372	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCC(=O)N1CCNC(=O)C1	ZINC000731256205	1076771613	/nfs/dbraw/zinc/77/16/13/1076771613.db2.gz	KHDWKJDUWLVOEK-MRXNPFEDSA-N	1	1	403.479	1.055	20	0		HDADMO
CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)[nH]1	ZINC001164640153	719278870	/nfs/dbraw/zinc/27/88/70/719278870.db2.gz	NWCKVOXYEHJSPG-UHFFFAOYSA-N	1	1	420.945	1.933	20	0		HDADMO
CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)[nH]1	ZINC001164640153	719278871	/nfs/dbraw/zinc/27/88/71/719278871.db2.gz	NWCKVOXYEHJSPG-UHFFFAOYSA-N	1	1	420.945	1.933	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(C(=O)N3CCOCC3)cn1)CC2	ZINC001164648922	719307322	/nfs/dbraw/zinc/30/73/22/719307322.db2.gz	SGCWWVFLXFBGDL-UHFFFAOYSA-N	1	1	412.538	1.956	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1	ZINC001164687420	719717910	/nfs/dbraw/zinc/71/79/10/719717910.db2.gz	XAQPDEKZLOVDKV-UHFFFAOYSA-N	1	1	411.506	1.987	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)COc1ccc(Cl)nn1)CC2	ZINC001164690283	719740864	/nfs/dbraw/zinc/74/08/64/719740864.db2.gz	YGGXNXHEDNWKMH-UHFFFAOYSA-N	1	1	403.861	1.778	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c1ncn3-c1ccccc1)CC2	ZINC001164689901	719750196	/nfs/dbraw/zinc/75/01/96/719750196.db2.gz	OFVSOJRNFFHRFN-UHFFFAOYSA-N	1	1	405.506	1.996	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)C2	ZINC001164811312	720080413	/nfs/dbraw/zinc/08/04/13/720080413.db2.gz	NVMHJYWOMAJOGU-ZHRRBRCNSA-N	1	1	417.506	1.840	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1S(N)(=O)=O)C2	ZINC001164813675	720187527	/nfs/dbraw/zinc/18/75/27/720187527.db2.gz	DLSUECKSGOAMGC-KBXCAEBGSA-N	1	1	414.959	1.567	20	0		HDADMO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CCNC3)CCC2	ZINC001164810832	720214364	/nfs/dbraw/zinc/21/43/64/720214364.db2.gz	DMWMOJFEDDKVAZ-UHFFFAOYSA-N	1	1	417.945	1.583	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CCNC3)CCC2	ZINC001164810832	720214371	/nfs/dbraw/zinc/21/43/71/720214371.db2.gz	DMWMOJFEDDKVAZ-UHFFFAOYSA-N	1	1	417.945	1.583	20	0		HDADMO
COC(=O)c1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncc1N	ZINC001164812122	720217383	/nfs/dbraw/zinc/21/73/83/720217383.db2.gz	DSFHSXOWRDBOMR-UHFFFAOYSA-N	1	1	400.483	1.258	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1	ZINC001164716079	720223191	/nfs/dbraw/zinc/22/31/91/720223191.db2.gz	AKODOHFUQGJLJL-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1	ZINC001164716079	720223194	/nfs/dbraw/zinc/22/31/94/720223194.db2.gz	AKODOHFUQGJLJL-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1C(N)=O)CCC2	ZINC001164813953	720223627	/nfs/dbraw/zinc/22/36/27/720223627.db2.gz	PXMOKJXZFNEIKO-UHFFFAOYSA-N	1	1	404.902	1.641	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CCOCC3)n1)CCC2	ZINC001164813243	720231409	/nfs/dbraw/zinc/23/14/09/720231409.db2.gz	LXHCWIISALIADK-UHFFFAOYSA-N	1	1	412.538	1.725	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ccn4C)C2)C1	ZINC001164718965	720233813	/nfs/dbraw/zinc/23/38/13/720233813.db2.gz	JDGOYZXOOOBCNL-LJQANCHMSA-N	1	1	406.918	1.287	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ccn4C)C2)C1	ZINC001164718965	720233825	/nfs/dbraw/zinc/23/38/25/720233825.db2.gz	JDGOYZXOOOBCNL-LJQANCHMSA-N	1	1	406.918	1.287	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CSC4)C2)C1	ZINC001164719411	720235838	/nfs/dbraw/zinc/23/58/38/720235838.db2.gz	MQEKURWLPIUKKN-SFHVURJKSA-N	1	1	411.959	1.542	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CSC4)C2)C1	ZINC001164719411	720235845	/nfs/dbraw/zinc/23/58/45/720235845.db2.gz	MQEKURWLPIUKKN-SFHVURJKSA-N	1	1	411.959	1.542	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1	ZINC001164720040	720258665	/nfs/dbraw/zinc/25/86/65/720258665.db2.gz	QQPPEAGMXBXCAX-QFIPXVFZSA-N	1	1	408.506	1.776	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1	ZINC001164720040	720258675	/nfs/dbraw/zinc/25/86/75/720258675.db2.gz	QQPPEAGMXBXCAX-QFIPXVFZSA-N	1	1	408.506	1.776	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccs4)nn3)C2)C1	ZINC001164720495	720265648	/nfs/dbraw/zinc/26/56/48/720265648.db2.gz	XLRFWJGGKXMJCH-HXUWFJFHSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccs4)nn3)C2)C1	ZINC001164720495	720265653	/nfs/dbraw/zinc/26/56/53/720265653.db2.gz	XLRFWJGGKXMJCH-HXUWFJFHSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)NC(C)(C)C)ccn3)C2)C1	ZINC001164723719	720270114	/nfs/dbraw/zinc/27/01/14/720270114.db2.gz	XFJCVERAYOGXII-QFIPXVFZSA-N	1	1	417.554	1.275	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)NC(C)(C)C)ccn3)C2)C1	ZINC001164723719	720270125	/nfs/dbraw/zinc/27/01/25/720270125.db2.gz	XFJCVERAYOGXII-QFIPXVFZSA-N	1	1	417.554	1.275	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1	ZINC001164720505	720291325	/nfs/dbraw/zinc/29/13/25/720291325.db2.gz	AEBNLNWHSNGBMR-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1	ZINC001164720505	720291326	/nfs/dbraw/zinc/29/13/26/720291326.db2.gz	AEBNLNWHSNGBMR-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1	ZINC001164720507	720292461	/nfs/dbraw/zinc/29/24/61/720292461.db2.gz	AEBNLNWHSNGBMR-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1	ZINC001164720507	720292469	/nfs/dbraw/zinc/29/24/69/720292469.db2.gz	AEBNLNWHSNGBMR-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccc(F)c4)nn3)C2)C1	ZINC001164720748	720293803	/nfs/dbraw/zinc/29/38/03/720293803.db2.gz	CVNWJLAQUKMXDG-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccc(F)c4)nn3)C2)C1	ZINC001164720748	720293809	/nfs/dbraw/zinc/29/38/09/720293809.db2.gz	CVNWJLAQUKMXDG-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CCCCCC4)n3)C2)C1	ZINC001164721212	720300093	/nfs/dbraw/zinc/30/00/93/720300093.db2.gz	HSIHUTLVMLSHJA-QFIPXVFZSA-N	1	1	416.570	1.522	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CCCCCC4)n3)C2)C1	ZINC001164721212	720300094	/nfs/dbraw/zinc/30/00/94/720300094.db2.gz	HSIHUTLVMLSHJA-QFIPXVFZSA-N	1	1	416.570	1.522	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CCNC3)CC1	ZINC001164821086	720300835	/nfs/dbraw/zinc/30/08/35/720300835.db2.gz	JKMLNKDYWVSKBK-MSOLQXFVSA-N	1	1	418.973	1.687	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CCNC3)CC1	ZINC001164821094	720301270	/nfs/dbraw/zinc/30/12/70/720301270.db2.gz	JKMLNKDYWVSKBK-ROUUACIJSA-N	1	1	418.973	1.687	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(N3CCOCC3)n2)CC1	ZINC001164823235	720330777	/nfs/dbraw/zinc/33/07/77/720330777.db2.gz	ABAJKZPGNLEMKB-PMACEKPBSA-N	1	1	413.566	1.830	20	0		HDADMO
Clc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCOCC2)n1	ZINC001164726076	720353331	/nfs/dbraw/zinc/35/33/31/720353331.db2.gz	PLNWPVKYZPEDDG-JKSUJKDBSA-N	1	1	401.902	1.610	20	0		HDADMO
c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1	ZINC001164735401	720426874	/nfs/dbraw/zinc/42/68/74/720426874.db2.gz	XAAUZBKOTRNRGA-PMACEKPBSA-N	1	1	407.522	1.165	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)N(C)[C@H](C)C(=O)N4)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164840712	720549609	/nfs/dbraw/zinc/54/96/09/720549609.db2.gz	SQBDZKDQKQWTTP-VUHPKUFZSA-N	1	1	424.553	1.828	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12	ZINC001164740797	720650647	/nfs/dbraw/zinc/65/06/47/720650647.db2.gz	JAIRURCOLNXXQO-UONOGXRCSA-N	1	1	409.450	1.267	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(S(N)(=O)=O)n1)CC2	ZINC001164840291	720728388	/nfs/dbraw/zinc/72/83/88/720728388.db2.gz	OPMKVVIBIDARDB-SFHVURJKSA-N	1	1	416.547	1.989	20	0		HDADMO
CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c21	ZINC001164742152	720746617	/nfs/dbraw/zinc/74/66/17/720746617.db2.gz	NOSNRKCFHQFOPA-QWHCGFSZSA-N	1	1	403.874	1.091	20	0		HDADMO
COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743451	720747793	/nfs/dbraw/zinc/74/77/93/720747793.db2.gz	QFGNYIQZTLZKRY-NEPJUHHUSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743451	720747804	/nfs/dbraw/zinc/74/78/04/720747804.db2.gz	QFGNYIQZTLZKRY-NEPJUHHUSA-N	1	1	412.828	1.815	20	0		HDADMO
Cc1cc(NC(=O)c2cccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)no1	ZINC001164743424	720756468	/nfs/dbraw/zinc/75/64/68/720756468.db2.gz	QBZBCVIGIAJPHJ-CVEARBPZSA-N	1	1	421.461	1.762	20	0		HDADMO
CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2C1	ZINC001164743517	720801661	/nfs/dbraw/zinc/80/16/61/720801661.db2.gz	GHQQVXGXSVAFFO-UONOGXRCSA-N	1	1	401.902	1.250	20	0		HDADMO
COc1cc(OC)c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164744929	720804522	/nfs/dbraw/zinc/80/45/22/720804522.db2.gz	JTDIOPFQIUBEPC-ZBFHGGJFSA-N	1	1	408.462	1.779	20	0		HDADMO
COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164752062	720805373	/nfs/dbraw/zinc/80/53/73/720805373.db2.gz	YMFPEYWMKIIGAN-MCIONIFRSA-N	1	1	418.885	1.538	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164741726	720806656	/nfs/dbraw/zinc/80/66/56/720806656.db2.gz	BQVQHQVIXJKXPU-KBPBESRZSA-N	1	1	417.901	1.402	20	0		HDADMO
NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748679	720813453	/nfs/dbraw/zinc/81/34/53/720813453.db2.gz	QXNVUOHROXCNAY-BFYDXBDKSA-N	1	1	415.929	1.805	20	0		HDADMO
COc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740708	720819838	/nfs/dbraw/zinc/81/98/38/720819838.db2.gz	LCHXLXUKGYYYLA-QLFBSQMISA-N	1	1	404.906	1.505	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@H]2C1	ZINC001164850974	720835328	/nfs/dbraw/zinc/83/53/28/720835328.db2.gz	FXVUGXLUBFTSDU-GXTWGEPZSA-N	1	1	418.872	1.552	20	0		HDADMO
c1ncn(C[C@@H]2C[C@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164743131	720836855	/nfs/dbraw/zinc/83/68/55/720836855.db2.gz	IWFQHSDTOFVLMD-SLFFLAALSA-N	1	1	424.553	1.284	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC[C@@H]2C1	ZINC001164857678	720840367	/nfs/dbraw/zinc/84/03/67/720840367.db2.gz	YLEVZXFWRVLAQW-KGLIPLIRSA-N	1	1	419.904	1.914	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc5c(cc43)OCCO5)CC[C@@H]2C1	ZINC001164851822	720840514	/nfs/dbraw/zinc/84/05/14/720840514.db2.gz	IAMLBSUOYUMOSC-FOIQADDNSA-N	1	1	400.479	1.575	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164743532	720843148	/nfs/dbraw/zinc/84/31/48/720843148.db2.gz	IYEHJVBLLKSJPP-JENIJYKNSA-N	1	1	416.551	1.456	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc4c(cccc4C(=O)OC)n3)CC[C@H]2C1	ZINC001164850129	720846327	/nfs/dbraw/zinc/84/63/27/720846327.db2.gz	DKZMZUPAHWIXFP-KXBFYZLASA-N	1	1	400.479	1.590	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1	ZINC001164853589	720856654	/nfs/dbraw/zinc/85/66/54/720856654.db2.gz	HTZWVJDVKSYKKI-GDBMZVCRSA-N	1	1	412.918	1.409	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)N(C)OC)cc(Cl)n3)CC[C@@H]2C1	ZINC001164854054	720858119	/nfs/dbraw/zinc/85/81/19/720858119.db2.gz	INTQGKAVXCZGMM-GDBMZVCRSA-N	1	1	412.918	1.542	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc4cnccc4cc3C(=O)OC)CC[C@H]2C1	ZINC001164859541	720859604	/nfs/dbraw/zinc/85/96/04/720859604.db2.gz	UHCSHYDZKVWXGK-LPHOPBHVSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3c(Cl)nc(Cl)nc3C(N)=O)CC[C@@H]2C1	ZINC001164858884	720860152	/nfs/dbraw/zinc/86/01/52/720860152.db2.gz	SEXAQDCKJCBSIX-MNOVXSKESA-N	1	1	404.298	1.056	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)CC[C@H]2C1	ZINC001164859040	720865656	/nfs/dbraw/zinc/86/56/56/720865656.db2.gz	UDHKMCLTHANYAN-ROUUACIJSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1	ZINC001164851970	720867859	/nfs/dbraw/zinc/86/78/59/720867859.db2.gz	BKLONEZWZZRXJA-QFBILLFUSA-N	1	1	420.554	1.732	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4[nH]cc(C(=O)OC)c43)CC[C@H]2C1	ZINC001164862951	720871925	/nfs/dbraw/zinc/87/19/25/720871925.db2.gz	SDOOZHQFMFXVGP-JSGCOSHPSA-N	1	1	423.901	1.571	20	0		HDADMO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@@H]2C1	ZINC001164854477	720871997	/nfs/dbraw/zinc/87/19/97/720871997.db2.gz	KBRCZWVUTZHBTE-KGLIPLIRSA-N	1	1	403.932	1.312	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@@H]2C1	ZINC001164854477	720871998	/nfs/dbraw/zinc/87/19/98/720871998.db2.gz	KBRCZWVUTZHBTE-KGLIPLIRSA-N	1	1	403.932	1.312	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@H]2C1	ZINC001164865291	720876943	/nfs/dbraw/zinc/87/69/43/720876943.db2.gz	ZSMFXYCYZIKQQR-NWDGAFQWSA-N	1	1	416.860	1.676	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@@H]2C1	ZINC001164859188	720877015	/nfs/dbraw/zinc/87/70/15/720877015.db2.gz	LYLKBAFAGOHVBQ-NEPJUHHUSA-N	1	1	416.860	1.676	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3ncn4-c3ccccc3)CC[C@H]2C1	ZINC001164865003	720885406	/nfs/dbraw/zinc/88/54/06/720885406.db2.gz	XVYDLMDPHCMEAM-HKUYNNGSSA-N	1	1	408.506	1.989	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC[C@H]2C1	ZINC001164864393	720890100	/nfs/dbraw/zinc/89/01/00/720890100.db2.gz	VQCYGODOIFOYCZ-RYUDHWBXSA-N	1	1	419.309	1.744	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(S(=O)(=O)N(C)C)cn1)[C@@H]2C	ZINC001164859817	721001748	/nfs/dbraw/zinc/00/17/48/721001748.db2.gz	MSGSYKKADIBZFE-OAHLLOKOSA-N	1	1	406.556	1.950	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1	ZINC001164867055	721051808	/nfs/dbraw/zinc/05/18/08/721051808.db2.gz	HDVBQNQHCSURJD-PMACEKPBSA-N	1	1	409.538	1.103	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1	ZINC001164867055	721051816	/nfs/dbraw/zinc/05/18/16/721051816.db2.gz	HDVBQNQHCSURJD-PMACEKPBSA-N	1	1	409.538	1.103	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164864870	721092990	/nfs/dbraw/zinc/09/29/90/721092990.db2.gz	GZNXXSPOMRTZFS-LSDHHAIUSA-N	1	1	403.870	1.791	20	0		HDADMO
CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12	ZINC001164768669	721094305	/nfs/dbraw/zinc/09/43/05/721094305.db2.gz	OCAAOWAKKQTKPL-JKSUJKDBSA-N	1	1	409.494	1.826	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865165	721097486	/nfs/dbraw/zinc/09/74/86/721097486.db2.gz	JEERVSBSWHDJBO-RTBURBONSA-N	1	1	408.506	1.952	20	0		HDADMO
COC(=O)c1nc2cnccc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164865230	721103593	/nfs/dbraw/zinc/10/35/93/721103593.db2.gz	JQVQDWZYJDKHQC-DLBZAZTESA-N	1	1	420.473	1.686	20	0		HDADMO
COC(=O)c1cc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C	ZINC001164871520	721134437	/nfs/dbraw/zinc/13/44/37/721134437.db2.gz	FFKCRHWOBZDWNZ-QZTJIDSGSA-N	1	1	422.489	1.630	20	0		HDADMO
COC(=O)c1nc2cnccc2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164773932	721153302	/nfs/dbraw/zinc/15/33/02/721153302.db2.gz	ZIDWQZQZYPCESR-HZPDHXFCSA-N	1	1	407.478	1.503	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164880666	721168189	/nfs/dbraw/zinc/16/81/89/721168189.db2.gz	WVFLZYDNJFVJMG-CABCVRRESA-N	1	1	403.870	1.791	20	0		HDADMO
CCOC(=O)c1ncnc(Cl)c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164769317	721185616	/nfs/dbraw/zinc/18/56/16/721185616.db2.gz	MAKRJMKEHXKJMW-LSDHHAIUSA-N	1	1	404.902	1.999	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(C4CC4)nc4[nH]ccc43)CC2)C1	ZINC001164875970	721292029	/nfs/dbraw/zinc/29/20/29/721292029.db2.gz	IGVGPCIURUOMNI-UHFFFAOYSA-N	1	1	412.538	1.842	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(C(N)=O)n3)C2)C1	ZINC001164779913	721345862	/nfs/dbraw/zinc/34/58/62/721345862.db2.gz	WYSIHHQMOAURRU-HXUWFJFHSA-N	1	1	400.483	1.299	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cncc(C(N)=O)n3)C2)C1	ZINC001164779913	721345869	/nfs/dbraw/zinc/34/58/69/721345869.db2.gz	WYSIHHQMOAURRU-HXUWFJFHSA-N	1	1	400.483	1.299	20	0		HDADMO
CCOC(=O)c1cncnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164886347	721378689	/nfs/dbraw/zinc/37/86/89/721378689.db2.gz	FIGQDLMBHVMXLC-UWJYYQICSA-N	1	1	403.527	1.419	20	0		HDADMO
CN(C)c1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164889950	721380843	/nfs/dbraw/zinc/38/08/43/721380843.db2.gz	NBBASZFOHYBDKZ-JXFKEZNVSA-N	1	1	408.978	1.961	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1OC	ZINC001164890964	721388624	/nfs/dbraw/zinc/38/86/24/721388624.db2.gz	PPWBPSJBPIWIPI-VGOFRKELSA-N	1	1	418.538	1.642	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1OC	ZINC001164884377	721388700	/nfs/dbraw/zinc/38/87/00/721388700.db2.gz	AMWUTOJWSQULQO-HTAPYJJXSA-N	1	1	418.538	1.642	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4COC5)C3)O2)CC1	ZINC001164889809	721398060	/nfs/dbraw/zinc/39/80/60/721398060.db2.gz	MKGXBHIPPPIBMJ-YWZLYKJASA-N	1	1	407.946	1.926	20	0		HDADMO
Clc1nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164783415	721399221	/nfs/dbraw/zinc/39/92/21/721399221.db2.gz	HZJLDCXCRMHCMO-CHWSQXEVSA-N	1	1	407.931	1.386	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1C	ZINC001164887665	721404989	/nfs/dbraw/zinc/40/49/89/721404989.db2.gz	LZMNFCPDZYAXPN-AVRDEDQJSA-N	1	1	402.539	1.942	20	0		HDADMO
COc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1	ZINC001164889955	721411083	/nfs/dbraw/zinc/41/10/83/721411083.db2.gz	RXAXSTICUSANGW-OXQOHEQNSA-N	1	1	407.584	1.973	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(S(C)(=O)=O)cn4)C3)O2)CC1	ZINC001164896783	721429423	/nfs/dbraw/zinc/42/94/23/721429423.db2.gz	RZUWPWJWVWSIDD-PXNSSMCTSA-N	1	1	408.568	1.251	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4ncn5C4CC4)C3)O2)CC1	ZINC001164888669	721437445	/nfs/dbraw/zinc/43/74/45/721437445.db2.gz	ABCKCQOUCGIYBH-XMSQKQJNSA-N	1	1	411.554	1.927	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164887087	721451157	/nfs/dbraw/zinc/45/11/57/721451157.db2.gz	IRTPSDGMJKUEEH-FOIQADDNSA-N	1	1	422.961	1.255	20	0		HDADMO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CCNC3)CC2	ZINC001164788604	721454723	/nfs/dbraw/zinc/45/47/23/721454723.db2.gz	RREITJBAJQPWJL-LJQANCHMSA-N	1	1	415.582	1.856	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CCNC3)CC2	ZINC001164788604	721454725	/nfs/dbraw/zinc/45/47/25/721454725.db2.gz	RREITJBAJQPWJL-LJQANCHMSA-N	1	1	415.582	1.856	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(C(N)=O)n1)CC2	ZINC001164788631	721457781	/nfs/dbraw/zinc/45/77/81/721457781.db2.gz	UWHLIPBSPQIPIV-QGZVFWFLSA-N	1	1	403.527	1.309	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@H]43)c2)CC1	ZINC001164884869	721459313	/nfs/dbraw/zinc/45/93/13/721459313.db2.gz	BMJYKQWJSWZICX-AABGKKOBSA-N	1	1	400.523	1.817	20	0		HDADMO
CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2	ZINC001164898872	721502263	/nfs/dbraw/zinc/50/22/63/721502263.db2.gz	VNXNSTDBFWFYIV-GOSISDBHSA-N	1	1	416.570	1.376	20	0		HDADMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(S(N)(=O)=O)nn1)CC2	ZINC001164795433	721502648	/nfs/dbraw/zinc/50/26/48/721502648.db2.gz	GTLCTAKEUJDZQX-UHFFFAOYSA-N	1	1	402.524	1.400	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1	ZINC001164899664	721513380	/nfs/dbraw/zinc/51/33/80/721513380.db2.gz	LMCPBFMXANOGRX-UYAOXDASSA-N	1	1	412.513	1.709	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1	ZINC001164899664	721513384	/nfs/dbraw/zinc/51/33/84/721513384.db2.gz	LMCPBFMXANOGRX-UYAOXDASSA-N	1	1	412.513	1.709	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2[nH]1	ZINC001164798228	721516682	/nfs/dbraw/zinc/51/66/82/721516682.db2.gz	POAVYFSKBNOWIM-UHFFFAOYSA-N	1	1	423.521	1.704	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1	ZINC001164906903	721552646	/nfs/dbraw/zinc/55/26/46/721552646.db2.gz	LJQBAOHGRASTBG-RDJZCZTQSA-N	1	1	406.483	1.471	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1	ZINC001164908683	721553719	/nfs/dbraw/zinc/55/37/19/721553719.db2.gz	RQZZAQQPWVQXCC-AEFFLSMTSA-N	1	1	420.510	1.861	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@@H]2CCCO[C@@H]12	ZINC001164803088	721561801	/nfs/dbraw/zinc/56/18/01/721561801.db2.gz	JJARZOOMNSBKHQ-CKEIUWERSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@@H]2CCCO[C@@H]12	ZINC001164803088	721561805	/nfs/dbraw/zinc/56/18/05/721561805.db2.gz	JJARZOOMNSBKHQ-CKEIUWERSA-N	1	1	402.886	1.492	20	0		HDADMO
CN(C)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2nc[nH]c21	ZINC001164801749	721562396	/nfs/dbraw/zinc/56/23/96/721562396.db2.gz	HDXXKKHDWZBFQC-XYJFISCASA-N	1	1	408.510	1.682	20	0		HDADMO
CN(C)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2nc[nH]c21	ZINC001164801749	721562398	/nfs/dbraw/zinc/56/23/98/721562398.db2.gz	HDXXKKHDWZBFQC-XYJFISCASA-N	1	1	408.510	1.682	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc21	ZINC001164805361	721563023	/nfs/dbraw/zinc/56/30/23/721563023.db2.gz	MVQOLRBRHHYCKL-AOIWGVFYSA-N	1	1	409.494	1.128	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc21	ZINC001164805361	721563025	/nfs/dbraw/zinc/56/30/25/721563025.db2.gz	MVQOLRBRHHYCKL-AOIWGVFYSA-N	1	1	409.494	1.128	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1	ZINC001164905965	721566875	/nfs/dbraw/zinc/56/68/75/721566875.db2.gz	IGGYYNOXKOKDMZ-HIFRSBDPSA-N	1	1	410.446	1.349	20	0		HDADMO
COC(=O)c1ncnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC	ZINC001164910746	721568190	/nfs/dbraw/zinc/56/81/90/721568190.db2.gz	XIILLCZFQKRNPZ-GOEBONIOSA-N	1	1	402.426	1.753	20	0		HDADMO
Cc1cc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n1)C(=O)NC2=O	ZINC001164806725	721575258	/nfs/dbraw/zinc/57/52/58/721575258.db2.gz	RJYMQQPKTOHFTO-AOIWGVFYSA-N	1	1	407.474	1.537	20	0		HDADMO
Cc1cc2c(c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n1)C(=O)NC2=O	ZINC001164806725	721575261	/nfs/dbraw/zinc/57/52/61/721575261.db2.gz	RJYMQQPKTOHFTO-AOIWGVFYSA-N	1	1	407.474	1.537	20	0		HDADMO
COC(=O)c1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1OC	ZINC001164800018	721591317	/nfs/dbraw/zinc/59/13/17/721591317.db2.gz	BFVMJWMECGROFJ-RYRKJORJSA-N	1	1	413.478	1.535	20	0		HDADMO
COC(=O)c1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1OC	ZINC001164800018	721591320	/nfs/dbraw/zinc/59/13/20/721591320.db2.gz	BFVMJWMECGROFJ-RYRKJORJSA-N	1	1	413.478	1.535	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc21	ZINC001165020815	721816131	/nfs/dbraw/zinc/81/61/31/721816131.db2.gz	DIZUJCDTCAEFQP-KVSKMBFKSA-N	1	1	407.522	1.997	20	0		HDADMO
COCCN1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@H]2C1=O	ZINC001164920234	721844944	/nfs/dbraw/zinc/84/49/44/721844944.db2.gz	HCGWNJGMOZISGP-UXHICEINSA-N	1	1	418.538	1.255	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@@H]4C3)n2)CC1	ZINC001164932438	721897368	/nfs/dbraw/zinc/89/73/68/721897368.db2.gz	HYICBKVNDIBUHV-QXAKKESOSA-N	1	1	414.554	1.129	20	0		HDADMO
O=C(NC1CCOCC1)c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nn1	ZINC000432143531	721960661	/nfs/dbraw/zinc/96/06/61/721960661.db2.gz	OSQPVUIHODDSIJ-UHFFFAOYSA-N	1	1	411.506	1.586	20	0		HDADMO
Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@H]21	ZINC001164973626	722093566	/nfs/dbraw/zinc/09/35/66/722093566.db2.gz	BHDQDHCRPDHIFP-NSHGMRRFSA-N	1	1	410.522	1.576	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1	ZINC001164986097	722102193	/nfs/dbraw/zinc/10/21/93/722102193.db2.gz	XYUPVCGRKIBSCU-WBVHZDCISA-N	1	1	401.898	1.956	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982044	722133085	/nfs/dbraw/zinc/13/30/85/722133085.db2.gz	QUQLBFWLPGSIGC-UYAOXDASSA-N	1	1	411.506	1.837	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)C(=O)NC2=O	ZINC001164984641	722138244	/nfs/dbraw/zinc/13/82/44/722138244.db2.gz	YDCBNYHKGJYLMU-SJLPKXTDSA-N	1	1	407.474	1.396	20	0		HDADMO
COc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1NC(C)C	ZINC001164997088	722228646	/nfs/dbraw/zinc/22/86/46/722228646.db2.gz	OVTHLIIRIPLSLK-UHFFFAOYSA-N	1	1	412.542	1.453	20	0		HDADMO
Cc1nc2nc(Cl)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2[nH]1	ZINC001164997027	722231863	/nfs/dbraw/zinc/23/18/63/722231863.db2.gz	MFPUXDNDXZJPOI-UHFFFAOYSA-N	1	1	413.917	1.462	20	0		HDADMO
COC(=O)c1ccc(Cl)c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164997628	722234361	/nfs/dbraw/zinc/23/43/61/722234361.db2.gz	SHYGKIBDDBJUIJ-UHFFFAOYSA-N	1	1	416.913	1.669	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2[nH]c4cc(=O)[nH]c-4cc2Cl)CC3)CC1	ZINC001164997759	722234575	/nfs/dbraw/zinc/23/45/75/722234575.db2.gz	VSKIGPMFWWISTB-UHFFFAOYSA-N	1	1	413.913	1.377	20	0		HDADMO
COC(=O)/C=C\c1cc(C)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996794	722236143	/nfs/dbraw/zinc/23/61/43/722236143.db2.gz	JDZVWTNSVCUJTA-PLNGDYQASA-N	1	1	422.533	1.723	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN([C@@H](F)Oc2ccc(Cl)nn2)CC3)CC1	ZINC001165005665	722240100	/nfs/dbraw/zinc/24/01/00/722240100.db2.gz	VPLPKIBRHBZZIH-GOSISDBHSA-N	1	1	407.881	1.405	20	0		HDADMO
Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]2C1	ZINC001165003349	722244493	/nfs/dbraw/zinc/24/44/93/722244493.db2.gz	KDRRARPYVVLSNE-GHTZIAJQSA-N	1	1	409.534	1.992	20	0		HDADMO
Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]2C1	ZINC001165003352	722244740	/nfs/dbraw/zinc/24/47/40/722244740.db2.gz	KDRRARPYVVLSNE-RXVVDRJESA-N	1	1	409.534	1.992	20	0		HDADMO
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429043762	1073458211	/nfs/dbraw/zinc/45/82/11/1073458211.db2.gz	BLXFNBIILUDXFD-JQHSSLGASA-N	1	1	413.609	1.684	20	0		HDADMO
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429043762	1073458225	/nfs/dbraw/zinc/45/82/25/1073458225.db2.gz	BLXFNBIILUDXFD-JQHSSLGASA-N	1	1	413.609	1.684	20	0		HDADMO
C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(=O)n(C)cn2)c1	ZINC001626088735	1073467615	/nfs/dbraw/zinc/46/76/15/1073467615.db2.gz	AABUIOQLEAIEGS-ZDUSSCGKSA-N	1	1	401.442	1.985	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(=O)n(C)cn2)c1	ZINC001626088735	1073467619	/nfs/dbraw/zinc/46/76/19/1073467619.db2.gz	AABUIOQLEAIEGS-ZDUSSCGKSA-N	1	1	401.442	1.985	20	0		HDADMO
O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000673643130	1073488486	/nfs/dbraw/zinc/48/84/86/1073488486.db2.gz	LYZQMHLYDYUIBM-AUSIDOKSSA-N	1	1	408.502	1.896	20	0		HDADMO
Cc1nnc(COCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)s1	ZINC000509097323	1073521137	/nfs/dbraw/zinc/52/11/37/1073521137.db2.gz	JHXUJHGBUMGIMP-HNNXBMFYSA-N	1	1	403.508	1.699	20	0		HDADMO
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673647008	1073528171	/nfs/dbraw/zinc/52/81/71/1073528171.db2.gz	CMKKJDSNZLJVOI-HXUWFJFHSA-N	1	1	414.531	1.920	20	0		HDADMO
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673647008	1073528179	/nfs/dbraw/zinc/52/81/79/1073528179.db2.gz	CMKKJDSNZLJVOI-HXUWFJFHSA-N	1	1	414.531	1.920	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000429084839	1073531736	/nfs/dbraw/zinc/53/17/36/1073531736.db2.gz	XMWDEPHBNVXANC-YJBOKZPZSA-N	1	1	400.483	1.161	20	0		HDADMO
CN1CCN(C(=O)c2ccc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1	ZINC000673646815	1073532459	/nfs/dbraw/zinc/53/24/59/1073532459.db2.gz	LAHFVJILWCAJHP-XMMPIXPASA-N	1	1	422.529	1.650	20	0		HDADMO
C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)no1	ZINC001004689891	1073537392	/nfs/dbraw/zinc/53/73/92/1073537392.db2.gz	BXLATDBEODMSRE-RZRNGHBGSA-N	1	1	402.495	1.413	20	0		HDADMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000429088553	1073539254	/nfs/dbraw/zinc/53/92/54/1073539254.db2.gz	SYZZCFCAHDDRGY-ZWKOTPCHSA-N	1	1	414.558	1.618	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1C	ZINC000509106253	1073541934	/nfs/dbraw/zinc/54/19/34/1073541934.db2.gz	CPGXMGAWRIHHRD-RDJZCZTQSA-N	1	1	404.902	1.911	20	0		HDADMO
O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625188596	1073553176	/nfs/dbraw/zinc/55/31/76/1073553176.db2.gz	JVTQPMBTGMQPOS-GOSISDBHSA-N	1	1	400.479	1.065	20	0		HDADMO
O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCN(Cc2nccn2C(F)F)CC1	ZINC000673651824	1073573298	/nfs/dbraw/zinc/57/32/98/1073573298.db2.gz	UYGCIJOHWRKGRP-QGZVFWFLSA-N	1	1	404.465	1.982	20	0		HDADMO
O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCN(Cc2nccn2C(F)F)CC1	ZINC000673651824	1073573310	/nfs/dbraw/zinc/57/33/10/1073573310.db2.gz	UYGCIJOHWRKGRP-QGZVFWFLSA-N	1	1	404.465	1.982	20	0		HDADMO
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000429104102	1073589006	/nfs/dbraw/zinc/58/90/06/1073589006.db2.gz	PCJKRGDIMKVZGB-HXUWFJFHSA-N	1	1	400.523	1.975	20	0		HDADMO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000429105793	1073591242	/nfs/dbraw/zinc/59/12/42/1073591242.db2.gz	VVLIBYUUVSVMGN-QUCCMNQESA-N	1	1	400.571	1.908	20	0		HDADMO
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1	ZINC000673707348	1073646384	/nfs/dbraw/zinc/64/63/84/1073646384.db2.gz	UUVNNYPIEIJUTG-BDTNDASRSA-N	1	1	416.566	1.921	20	0		HDADMO
CCOC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1	ZINC000673710390	1073650168	/nfs/dbraw/zinc/65/01/68/1073650168.db2.gz	YXTKVYZSDBLXNF-HKBOAZHASA-N	1	1	405.539	1.940	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000673715622	1073653642	/nfs/dbraw/zinc/65/36/42/1073653642.db2.gz	HSGXVTYDDFMEEQ-GOSISDBHSA-N	1	1	402.520	1.479	20	0		HDADMO
COCc1ccc(C[N@@H+]2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001108085044	1073655580	/nfs/dbraw/zinc/65/55/80/1073655580.db2.gz	PXBMQUWNJAIBNG-IBYACTMASA-N	1	1	400.519	1.964	20	0		HDADMO
COCc1ccc(C[N@H+]2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001108085044	1073655586	/nfs/dbraw/zinc/65/55/86/1073655586.db2.gz	PXBMQUWNJAIBNG-IBYACTMASA-N	1	1	400.519	1.964	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1	ZINC000429117888	1073671782	/nfs/dbraw/zinc/67/17/82/1073671782.db2.gz	WABYNNNOZMSZOH-INIZCTEOSA-N	1	1	405.543	1.792	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1	ZINC000673749645	1073684398	/nfs/dbraw/zinc/68/43/98/1073684398.db2.gz	DWFCNCAVUUHJQZ-GOSISDBHSA-N	1	1	416.547	1.873	20	0		HDADMO
CC[N@H+](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C[C@@H]1CCOC1	ZINC000673755097	1073690197	/nfs/dbraw/zinc/69/01/97/1073690197.db2.gz	RXQXOQSJUBMFES-FQEVSTJZSA-N	1	1	416.566	1.745	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000673757754	1073692901	/nfs/dbraw/zinc/69/29/01/1073692901.db2.gz	MOJCFXBOVRKOEC-SFHVURJKSA-N	1	1	424.549	1.420	20	0		HDADMO
C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000673757754	1073692903	/nfs/dbraw/zinc/69/29/03/1073692903.db2.gz	MOJCFXBOVRKOEC-SFHVURJKSA-N	1	1	424.549	1.420	20	0		HDADMO
C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000673757754	1073692908	/nfs/dbraw/zinc/69/29/08/1073692908.db2.gz	MOJCFXBOVRKOEC-SFHVURJKSA-N	1	1	424.549	1.420	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000673757753	1073692945	/nfs/dbraw/zinc/69/29/45/1073692945.db2.gz	MOJCFXBOVRKOEC-GOSISDBHSA-N	1	1	424.549	1.420	20	0		HDADMO
C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000673757753	1073692950	/nfs/dbraw/zinc/69/29/50/1073692950.db2.gz	MOJCFXBOVRKOEC-GOSISDBHSA-N	1	1	424.549	1.420	20	0		HDADMO
C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000673757753	1073692955	/nfs/dbraw/zinc/69/29/55/1073692955.db2.gz	MOJCFXBOVRKOEC-GOSISDBHSA-N	1	1	424.549	1.420	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673750729	1073694135	/nfs/dbraw/zinc/69/41/35/1073694135.db2.gz	FEBWKSBYQUBXPJ-XLIONFOSSA-N	1	1	400.523	1.237	20	0		HDADMO
Cc1c(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnn1Cc1ccncc1	ZINC000509139434	1073707566	/nfs/dbraw/zinc/70/75/66/1073707566.db2.gz	NUUGEUDMESVBSH-CALCHBBNSA-N	1	1	412.538	1.991	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1	ZINC000673776166	1073732943	/nfs/dbraw/zinc/73/29/43/1073732943.db2.gz	GXMPTSKPQBZANY-UHFFFAOYSA-N	1	1	414.554	1.771	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1	ZINC000673776166	1073732950	/nfs/dbraw/zinc/73/29/50/1073732950.db2.gz	GXMPTSKPQBZANY-UHFFFAOYSA-N	1	1	414.554	1.771	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1	ZINC000429133031	1073736528	/nfs/dbraw/zinc/73/65/28/1073736528.db2.gz	GNXRFKVYOHQLRD-OAHLLOKOSA-N	1	1	414.597	1.541	20	0		HDADMO
CN1CCC[C@H](NC(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000673802071	1073750970	/nfs/dbraw/zinc/75/09/70/1073750970.db2.gz	IKCXEKRSUAUSEO-FQEVSTJZSA-N	1	1	416.566	1.384	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673816187	1073760766	/nfs/dbraw/zinc/76/07/66/1073760766.db2.gz	KUXDTHLTICEHFM-LJQANCHMSA-N	1	1	408.506	1.149	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1	ZINC000429143473	1073771768	/nfs/dbraw/zinc/77/17/68/1073771768.db2.gz	PTYVMCQJWICLHR-UHFFFAOYSA-N	1	1	416.975	1.522	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN1Cc1ccc(F)cc1	ZINC000673839855	1073804652	/nfs/dbraw/zinc/80/46/52/1073804652.db2.gz	HDODZXYCFAVNQN-LEWJYISDSA-N	1	1	404.530	1.313	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccc(F)cc1	ZINC000673839900	1073805138	/nfs/dbraw/zinc/80/51/38/1073805138.db2.gz	IENDJQSAOGFNBO-VXKWHMMOSA-N	1	1	418.557	1.703	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccc(F)cc1	ZINC000673839898	1073805520	/nfs/dbraw/zinc/80/55/20/1073805520.db2.gz	IENDJQSAOGFNBO-FCHUYYIVSA-N	1	1	418.557	1.703	20	0		HDADMO
C[N@@H+](CCN1CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1)Cc1ccccc1	ZINC000673835977	1073811606	/nfs/dbraw/zinc/81/16/06/1073811606.db2.gz	OCZQZJJFADBUJH-NRFANRHFSA-N	1	1	408.550	1.722	20	0		HDADMO
Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)nc12	ZINC000673848349	1073814362	/nfs/dbraw/zinc/81/43/62/1073814362.db2.gz	XIZMOCPVBWYWDC-ZDUSSCGKSA-N	1	1	408.300	1.232	20	0		HDADMO
CC[N@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)Cc1ccc2c(c1)OCO2	ZINC000673855384	1073822739	/nfs/dbraw/zinc/82/27/39/1073822739.db2.gz	PVLRZOAVWBUAJU-UHFFFAOYSA-N	1	1	416.478	1.219	20	0		HDADMO
CC[N@@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)Cc1ccc2c(c1)OCO2	ZINC000673855384	1073822751	/nfs/dbraw/zinc/82/27/51/1073822751.db2.gz	PVLRZOAVWBUAJU-UHFFFAOYSA-N	1	1	416.478	1.219	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(OC[C@H]2CCCO2)c1	ZINC000466548074	1073851527	/nfs/dbraw/zinc/85/15/27/1073851527.db2.gz	KYWCQJAGRDGIOS-UYAOXDASSA-N	1	1	404.555	1.988	20	0		HDADMO
C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC2(CO)CC2)c1	ZINC000673889637	1073861623	/nfs/dbraw/zinc/86/16/23/1073861623.db2.gz	WIOUFWIOZLTJRZ-CQSZACIVSA-N	1	1	420.485	1.466	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC2(CO)CC2)c1	ZINC000673889637	1073861635	/nfs/dbraw/zinc/86/16/35/1073861635.db2.gz	WIOUFWIOZLTJRZ-CQSZACIVSA-N	1	1	420.485	1.466	20	0		HDADMO
CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000509163669	1073870780	/nfs/dbraw/zinc/87/07/80/1073870780.db2.gz	GBYCRPVNTPTCNS-WOJBJXKFSA-N	1	1	418.538	1.166	20	0		HDADMO
CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000509163669	1073870793	/nfs/dbraw/zinc/87/07/93/1073870793.db2.gz	GBYCRPVNTPTCNS-WOJBJXKFSA-N	1	1	418.538	1.166	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000673907130	1073873932	/nfs/dbraw/zinc/87/39/32/1073873932.db2.gz	WPQNLXPZEHFOPM-GOSISDBHSA-N	1	1	416.566	1.962	20	0		HDADMO
O=C(NC[C@H]1CS(=O)(=O)CCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000509166567	1073878389	/nfs/dbraw/zinc/87/83/89/1073878389.db2.gz	LXJDNQBNMTYKIB-IPQPSQTFSA-N	1	1	407.536	1.295	20	0		HDADMO
COC[C@@H](C)NC(=O)NC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000029850832	1073883990	/nfs/dbraw/zinc/88/39/90/1073883990.db2.gz	CJFDHAPTAKRQPP-CQSZACIVSA-N	1	1	416.444	1.684	20	0		HDADMO
COc1ccccc1C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C	ZINC000673912484	1073884961	/nfs/dbraw/zinc/88/49/61/1073884961.db2.gz	JOEKYEMXSADAON-LEWJYISDSA-N	1	1	418.582	1.968	20	0		HDADMO
O=C(NCCc1cn2c(n1)SCC2)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000466558134	1073912664	/nfs/dbraw/zinc/91/26/64/1073912664.db2.gz	AFNYLZUHFSACQU-UHFFFAOYSA-N	1	1	401.536	1.863	20	0		HDADMO
CCOc1cc(NC2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)CC2)ncn1	ZINC000466560946	1073918819	/nfs/dbraw/zinc/91/88/19/1073918819.db2.gz	BRXWCCIXJPTUNS-SFHVURJKSA-N	1	1	420.558	1.818	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)cs1	ZINC000466565072	1073949855	/nfs/dbraw/zinc/94/98/55/1073949855.db2.gz	HCSAMMYAHULWDJ-INIZCTEOSA-N	1	1	406.556	1.337	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NC2CCN(c3cccnn3)CC2)C[C@H](C)O1	ZINC000429176015	1073958092	/nfs/dbraw/zinc/95/80/92/1073958092.db2.gz	LUWLNOKNXWLHIM-ZIFCJYIRSA-N	1	1	402.543	1.729	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NC2CCN(c3cccnn3)CC2)C[C@H](C)O1	ZINC000429176015	1073958095	/nfs/dbraw/zinc/95/80/95/1073958095.db2.gz	LUWLNOKNXWLHIM-ZIFCJYIRSA-N	1	1	402.543	1.729	20	0		HDADMO
O=C(C[N@H+](CCO)CCN1CCOCC1)N[C@H](c1cccs1)c1ccc(F)cc1	ZINC000484383993	1073959338	/nfs/dbraw/zinc/95/93/38/1073959338.db2.gz	FZOAYULMXFRVPE-NRFANRHFSA-N	1	1	421.538	1.719	20	0		HDADMO
O=C(C[N@@H+](CCO)CCN1CCOCC1)N[C@H](c1cccs1)c1ccc(F)cc1	ZINC000484383993	1073959340	/nfs/dbraw/zinc/95/93/40/1073959340.db2.gz	FZOAYULMXFRVPE-NRFANRHFSA-N	1	1	421.538	1.719	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N2CCOC[C@H]2C[C@H](C)O)cc1	ZINC000670439770	1073961379	/nfs/dbraw/zinc/96/13/79/1073961379.db2.gz	LGKHXDBHEGCIRX-YZVOILCLSA-N	1	1	400.479	1.356	20	0		HDADMO
C[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1nc(-c2ccccc2)cs1	ZINC000543518273	1073965408	/nfs/dbraw/zinc/96/54/08/1073965408.db2.gz	IQVBBHSMSJUYHS-AWEZNQCLSA-N	1	1	410.565	1.858	20	0		HDADMO
COCCCOc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000509183663	1073969195	/nfs/dbraw/zinc/96/91/95/1073969195.db2.gz	KGSRJWMADFUZGE-FQEVSTJZSA-N	1	1	418.538	1.550	20	0		HDADMO
CN1CC[NH+](CC2(C)CCN(CC(=O)N3CCN(Cc4ccco4)CC3)CC2)CC1	ZINC000543521356	1073985227	/nfs/dbraw/zinc/98/52/27/1073985227.db2.gz	ZRIDJDIRMTXYFW-UHFFFAOYSA-N	1	1	417.598	1.273	20	0		HDADMO
Cc1ccc([C@@H](NC(=O)C[N@H+](CCO)CCN2CCOCC2)c2cccs2)cc1	ZINC000484416332	1073986281	/nfs/dbraw/zinc/98/62/81/1073986281.db2.gz	ZJXGZBKDYFAEKW-JOCHJYFZSA-N	1	1	417.575	1.889	20	0		HDADMO
Cc1ccc([C@@H](NC(=O)C[N@@H+](CCO)CCN2CCOCC2)c2cccs2)cc1	ZINC000484416332	1073986291	/nfs/dbraw/zinc/98/62/91/1073986291.db2.gz	ZJXGZBKDYFAEKW-JOCHJYFZSA-N	1	1	417.575	1.889	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000543524432	1073998407	/nfs/dbraw/zinc/99/84/07/1073998407.db2.gz	OEXZFRFIWLTJGC-OAHLLOKOSA-N	1	1	422.551	1.328	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000543524431	1073998434	/nfs/dbraw/zinc/99/84/34/1073998434.db2.gz	OEXZFRFIWLTJGC-HNNXBMFYSA-N	1	1	422.551	1.328	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC2)ncn1	ZINC000673985570	1074000709	/nfs/dbraw/zinc/00/07/09/1074000709.db2.gz	MHHXUVVSVUSSGK-LJQANCHMSA-N	1	1	402.543	1.514	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1	ZINC000509189616	1074004947	/nfs/dbraw/zinc/00/49/47/1074004947.db2.gz	GELCKTJITVXPDU-KBXCAEBGSA-N	1	1	415.581	1.478	20	0		HDADMO
COc1ccccc1[C@@H](CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[NH+](C)C	ZINC000429187842	1074022304	/nfs/dbraw/zinc/02/23/04/1074022304.db2.gz	YHMGUCSILBQKGD-QGZVFWFLSA-N	1	1	400.483	1.090	20	0		HDADMO
COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000058505851	1074028705	/nfs/dbraw/zinc/02/87/05/1074028705.db2.gz	XGJUBWKBNOAIRG-DLBZAZTESA-N	1	1	405.543	1.888	20	0		HDADMO
COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000058505851	1074028715	/nfs/dbraw/zinc/02/87/15/1074028715.db2.gz	XGJUBWKBNOAIRG-DLBZAZTESA-N	1	1	405.543	1.888	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)c1ccsc1	ZINC000543532770	1074031826	/nfs/dbraw/zinc/03/18/26/1074031826.db2.gz	BRGYWNUIBSCZHG-QGZVFWFLSA-N	1	1	415.519	1.631	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1	ZINC000466594052	1074048929	/nfs/dbraw/zinc/04/89/29/1074048929.db2.gz	WPNLUMKVDHYFCM-MOPGFXCFSA-N	1	1	402.543	1.078	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1	ZINC000466594052	1074048937	/nfs/dbraw/zinc/04/89/37/1074048937.db2.gz	WPNLUMKVDHYFCM-MOPGFXCFSA-N	1	1	402.543	1.078	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1	ZINC000466594052	1074048952	/nfs/dbraw/zinc/04/89/52/1074048952.db2.gz	WPNLUMKVDHYFCM-MOPGFXCFSA-N	1	1	402.543	1.078	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCO1	ZINC001649123323	1074053743	/nfs/dbraw/zinc/05/37/43/1074053743.db2.gz	VHTHEPKEABXXLI-WFXMLNOXSA-N	1	1	406.527	1.415	20	0		HDADMO
CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@H+](CC(=O)N(C2CC2)C2CCCC2)C1	ZINC001033281338	1074061111	/nfs/dbraw/zinc/06/11/11/1074061111.db2.gz	KLLIUPYENZSECM-NHHWGVFUSA-N	1	1	401.551	1.876	20	0		HDADMO
CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C1	ZINC001033281338	1074061120	/nfs/dbraw/zinc/06/11/20/1074061120.db2.gz	KLLIUPYENZSECM-NHHWGVFUSA-N	1	1	401.551	1.876	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1	ZINC000466601663	1074065758	/nfs/dbraw/zinc/06/57/58/1074065758.db2.gz	OHLUHUCWWDVJBT-HLAWJBBLSA-N	1	1	414.550	1.632	20	0		HDADMO
CC[C@H](NC(=O)C(=O)Nc1ccc(C)[nH]c1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543555122	1074083885	/nfs/dbraw/zinc/08/38/85/1074083885.db2.gz	IRXRRLJDWMJTJG-HKUYNNGSSA-N	1	1	412.490	1.830	20	0		HDADMO
CC[C@H](NC(=O)C(=O)Nc1ccc(C)[nH]c1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543555122	1074083893	/nfs/dbraw/zinc/08/38/93/1074083893.db2.gz	IRXRRLJDWMJTJG-HKUYNNGSSA-N	1	1	412.490	1.830	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)CC1	ZINC000543554805	1074084138	/nfs/dbraw/zinc/08/41/38/1074084138.db2.gz	ZJIXJNQRZUGLHS-UHFFFAOYSA-N	1	1	416.856	1.885	20	0		HDADMO
Cn1c2[nH]c(C[N@H+](C)[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)nc2c(=O)n(C)c1=O	ZINC000543559735	1074107908	/nfs/dbraw/zinc/10/79/08/1074107908.db2.gz	VMTCICDEJRFDCP-HUUCEWRRSA-N	1	1	401.442	1.452	20	0		HDADMO
Cn1c2[nH]c(C[N@@H+](C)[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)nc2c(=O)n(C)c1=O	ZINC000543559735	1074107913	/nfs/dbraw/zinc/10/79/13/1074107913.db2.gz	VMTCICDEJRFDCP-HUUCEWRRSA-N	1	1	401.442	1.452	20	0		HDADMO
Cn1c2ncn(CC[N@@H+](C)[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2c(=O)n(C)c1=O	ZINC000543560517	1074107958	/nfs/dbraw/zinc/10/79/58/1074107958.db2.gz	GHYZMIJZWMFDKG-DLBZAZTESA-N	1	1	415.469	1.425	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2	ZINC000466617842	1074126721	/nfs/dbraw/zinc/12/67/21/1074126721.db2.gz	JUXYQRYRQMGFOO-QRQLOZEOSA-N	1	1	412.538	1.949	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@](C)(O)CSc1cccc(F)c1	ZINC000509210755	1074133622	/nfs/dbraw/zinc/13/36/22/1074133622.db2.gz	LKNDFOIERPEAPV-PXNSSMCTSA-N	1	1	411.543	1.728	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1	ZINC000543573278	1074143979	/nfs/dbraw/zinc/14/39/79/1074143979.db2.gz	BORORLOWAINGOB-SFHVURJKSA-N	1	1	422.529	1.862	20	0		HDADMO
CCCC1CCC([N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1	ZINC000484877308	1074158959	/nfs/dbraw/zinc/15/89/59/1074158959.db2.gz	RYZZPBLFYJIFKJ-UHFFFAOYSA-N	1	1	408.587	1.280	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)C1	ZINC000674091873	1074180646	/nfs/dbraw/zinc/18/06/46/1074180646.db2.gz	ZXHWORKWNBUQFD-KRWDZBQOSA-N	1	1	405.543	1.307	20	0		HDADMO
COc1ccc(Cn2nnc(C(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)c2C)cc1	ZINC001128613437	1074184552	/nfs/dbraw/zinc/18/45/52/1074184552.db2.gz	CBEKDBMHAMCBBR-INIZCTEOSA-N	1	1	413.522	1.969	20	0		HDADMO
CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nnc2n1CCCCC2	ZINC000674162256	1074197598	/nfs/dbraw/zinc/19/75/98/1074197598.db2.gz	ZYFBHOWTFRNAHR-QZTJIDSGSA-N	1	1	419.574	1.161	20	0		HDADMO
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674149901	1074198505	/nfs/dbraw/zinc/19/85/05/1074198505.db2.gz	JRGVNMLYBCHLOE-OALUTQOASA-N	1	1	408.568	1.622	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1	ZINC000674168485	1074201505	/nfs/dbraw/zinc/20/15/05/1074201505.db2.gz	GCRZWFVANLWZBJ-MJGOQNOKSA-N	1	1	423.583	1.031	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](CO)c3ccccc3)cc2)CC1	ZINC000674195335	1074210880	/nfs/dbraw/zinc/21/08/80/1074210880.db2.gz	RNJHFPHFANSOOF-HXUWFJFHSA-N	1	1	424.501	1.253	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1	ZINC000674201642	1074217120	/nfs/dbraw/zinc/21/71/20/1074217120.db2.gz	AOXPQSYGXFOGFR-UHFFFAOYSA-N	1	1	406.502	1.670	20	0		HDADMO
CC[C@@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000674222932	1074232095	/nfs/dbraw/zinc/23/20/95/1074232095.db2.gz	BDOOHNUXMRIZPM-AEFFLSMTSA-N	1	1	418.538	1.316	20	0		HDADMO
CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC1	ZINC000674222566	1074232372	/nfs/dbraw/zinc/23/23/72/1074232372.db2.gz	UOSRYQKZVBQDBF-KRWDZBQOSA-N	1	1	413.478	1.431	20	0		HDADMO
CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1	ZINC000674222310	1074232759	/nfs/dbraw/zinc/23/27/59/1074232759.db2.gz	OSMCADBAWAPACO-KRWDZBQOSA-N	1	1	406.502	1.670	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000674227573	1074234700	/nfs/dbraw/zinc/23/47/00/1074234700.db2.gz	XNOUTQHBJRLDRD-IERDGZPVSA-N	1	1	420.513	1.938	20	0		HDADMO
Cc1nn(C)c(=O)c(-c2nc(CN3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cs2)c1C	ZINC000674251251	1074243164	/nfs/dbraw/zinc/24/31/64/1074243164.db2.gz	OXAHVPPAJLRMNP-SFHVURJKSA-N	1	1	416.595	1.732	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)CC1	ZINC000674260906	1074243786	/nfs/dbraw/zinc/24/37/86/1074243786.db2.gz	UICVQYXMSJGVAQ-UHFFFAOYSA-N	1	1	403.523	1.553	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)COc1ccc(OCc2ccccc2)cc1	ZINC000038240424	1074244998	/nfs/dbraw/zinc/24/49/98/1074244998.db2.gz	SGERJVUXBWQIEL-UHFFFAOYSA-N	1	1	411.502	1.877	20	0		HDADMO
C[N@H+]1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@H]1c1ccccc1	ZINC000429224610	1074245866	/nfs/dbraw/zinc/24/58/66/1074245866.db2.gz	YJPKBDGWXOEELV-IFXJQAMLSA-N	1	1	408.462	1.944	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000674266080	1074247930	/nfs/dbraw/zinc/24/79/30/1074247930.db2.gz	BEMFQMURDJUEOU-UHFFFAOYSA-N	1	1	400.504	1.891	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000674272118	1074251018	/nfs/dbraw/zinc/25/10/18/1074251018.db2.gz	TXCBKJINFZNRRN-UHFFFAOYSA-N	1	1	420.457	1.855	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C2)CC1	ZINC000674274380	1074254317	/nfs/dbraw/zinc/25/43/17/1074254317.db2.gz	OLDFMKBSYSCDRP-WIYYLYMNSA-N	1	1	408.587	1.915	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C2)CC1	ZINC000674274380	1074254319	/nfs/dbraw/zinc/25/43/19/1074254319.db2.gz	OLDFMKBSYSCDRP-WIYYLYMNSA-N	1	1	408.587	1.915	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@@H+](C)C[C@@H](O)C3CC3)CC2)cc1OC	ZINC000674313413	1074270016	/nfs/dbraw/zinc/27/00/16/1074270016.db2.gz	DOQDMGYZNNOXBU-LJQANCHMSA-N	1	1	405.539	1.359	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC(OC)CC1	ZINC000674333921	1074283558	/nfs/dbraw/zinc/28/35/58/1074283558.db2.gz	RSNQXXVQYWQJCD-UHFFFAOYSA-N	1	1	411.568	1.948	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1	ZINC000674357919	1074291129	/nfs/dbraw/zinc/29/11/29/1074291129.db2.gz	FQGSVULEDCCNIT-IBGZPJMESA-N	1	1	412.465	1.531	20	0		HDADMO
COc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1F	ZINC000674360441	1074292673	/nfs/dbraw/zinc/29/26/73/1074292673.db2.gz	PQVSGUJHESBESV-KRWDZBQOSA-N	1	1	407.486	1.320	20	0		HDADMO
COc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1F	ZINC000674360441	1074292677	/nfs/dbraw/zinc/29/26/77/1074292677.db2.gz	PQVSGUJHESBESV-KRWDZBQOSA-N	1	1	407.486	1.320	20	0		HDADMO
CS(=O)(=O)c1ccc(CNC(=O)C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1	ZINC000674371590	1074299724	/nfs/dbraw/zinc/29/97/24/1074299724.db2.gz	SPRDOXCRYJOWKD-FQEVSTJZSA-N	1	1	412.515	1.934	20	0		HDADMO
CC[C@H](NC(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccccc1OCC(=O)NC	ZINC000674394854	1074309729	/nfs/dbraw/zinc/30/97/29/1074309729.db2.gz	QEPFCAKCPYDWMM-INIZCTEOSA-N	1	1	402.499	1.561	20	0		HDADMO
C[C@H](CNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@H+]1CCc2ccccc2C1	ZINC000674423608	1074326721	/nfs/dbraw/zinc/32/67/21/1074326721.db2.gz	GFHFXTOHZRHYRR-QRFQSNJMSA-N	1	1	413.522	1.453	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000674433613	1074332308	/nfs/dbraw/zinc/33/23/08/1074332308.db2.gz	OOWNNBBYECCFBN-FGSXEWAUSA-N	1	1	413.522	1.671	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1=O	ZINC000674437783	1074335943	/nfs/dbraw/zinc/33/59/43/1074335943.db2.gz	DERHMPFTGAURLM-FOIQADDNSA-N	1	1	405.474	1.277	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000674479742	1074379248	/nfs/dbraw/zinc/37/92/48/1074379248.db2.gz	VDLFUDUBIXHINF-OALUTQOASA-N	1	1	416.522	1.429	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@@H+](CCO)Cc2ccc(Br)s2)C[C@@H](C)O1	ZINC000485131380	1074391899	/nfs/dbraw/zinc/39/18/99/1074391899.db2.gz	JDXOORJKWACBKF-MGPQQGTHSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H](O)CN(CCO)Cc2ccc(Br)s2)C[C@@H](C)O1	ZINC000485131380	1074391915	/nfs/dbraw/zinc/39/19/15/1074391915.db2.gz	JDXOORJKWACBKF-MGPQQGTHSA-N	1	1	407.374	1.775	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000674499471	1074393459	/nfs/dbraw/zinc/39/34/59/1074393459.db2.gz	BMWXCXVKCMYIFP-IBGZPJMESA-N	1	1	421.563	1.119	20	0		HDADMO
C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)CCN3CCCS3(=O)=O)cc2)C[C@H](C)O1	ZINC000674503324	1074398236	/nfs/dbraw/zinc/39/82/36/1074398236.db2.gz	RWNJMPPDLBVUDN-IRXDYDNUSA-N	1	1	409.552	1.403	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1	ZINC000674504972	1074402842	/nfs/dbraw/zinc/40/28/42/1074402842.db2.gz	XACSQRLRMLCNDA-CVEARBPZSA-N	1	1	409.552	1.937	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)C[C@H]2C)CC1	ZINC000674546369	1074427363	/nfs/dbraw/zinc/42/73/63/1074427363.db2.gz	BXQGSRSNNQPJAU-MBOZVWFJSA-N	1	1	400.523	1.124	20	0		HDADMO
CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[NH+]1CCCC1	ZINC000674566716	1074443990	/nfs/dbraw/zinc/44/39/90/1074443990.db2.gz	FAQSJMZCSWEWTD-MRXNPFEDSA-N	1	1	415.943	1.085	20	0		HDADMO
CC(C)(C)OCc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000674586313	1074466699	/nfs/dbraw/zinc/46/66/99/1074466699.db2.gz	MWZVYVPALAFEIR-QGZVFWFLSA-N	1	1	418.538	1.644	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)N1CCc2nn(CC)c(=O)cc2C1)[NH+]1CCOCC1	ZINC000674612466	1074479479	/nfs/dbraw/zinc/47/94/79/1074479479.db2.gz	VVLFIBNOKBFLBM-LJQANCHMSA-N	1	1	405.543	1.468	20	0		HDADMO
CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1	ZINC000674623880	1074483195	/nfs/dbraw/zinc/48/31/95/1074483195.db2.gz	NNXHQDYUQUSNSS-UTKZUKDTSA-N	1	1	401.511	1.658	20	0		HDADMO
CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1	ZINC000674623884	1074483310	/nfs/dbraw/zinc/48/33/10/1074483310.db2.gz	NNXHQDYUQUSNSS-UWJYYQICSA-N	1	1	401.511	1.658	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000674633753	1074489196	/nfs/dbraw/zinc/48/91/96/1074489196.db2.gz	PJCZWEVCVPJRMZ-RDJZCZTQSA-N	1	1	414.597	1.808	20	0		HDADMO
CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1ccccc1C	ZINC000674631311	1074494442	/nfs/dbraw/zinc/49/44/42/1074494442.db2.gz	NMOWOCITDRRVRU-PMACEKPBSA-N	1	1	404.555	1.858	20	0		HDADMO
CCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000674631191	1074495170	/nfs/dbraw/zinc/49/51/70/1074495170.db2.gz	MKJPSZOZFCYIFE-RXVVDRJESA-N	1	1	413.566	1.992	20	0		HDADMO
CCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000674631191	1074495175	/nfs/dbraw/zinc/49/51/75/1074495175.db2.gz	MKJPSZOZFCYIFE-RXVVDRJESA-N	1	1	413.566	1.992	20	0		HDADMO
COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1	ZINC000766063020	1074510812	/nfs/dbraw/zinc/51/08/12/1074510812.db2.gz	YNECZGPDENGQGW-IBGZPJMESA-N	1	1	409.914	1.421	20	0		HDADMO
C[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674667915	1074519279	/nfs/dbraw/zinc/51/92/79/1074519279.db2.gz	PPIHCTFWBCWTOL-PKOBYXMFSA-N	1	1	407.580	1.822	20	0		HDADMO
CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1	ZINC000674684440	1074522767	/nfs/dbraw/zinc/52/27/67/1074522767.db2.gz	DFFWIJKHCIHDCN-KRWDZBQOSA-N	1	1	405.520	1.971	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1	ZINC000674714336	1074532970	/nfs/dbraw/zinc/53/29/70/1074532970.db2.gz	SNLCXTIHCOFQLI-LJQANCHMSA-N	1	1	402.539	1.233	20	0		HDADMO
COCC[NH+](CCOC)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000674715955	1074534355	/nfs/dbraw/zinc/53/43/55/1074534355.db2.gz	XZSDIKUWRRHEOO-UHFFFAOYSA-N	1	1	401.910	1.718	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)NCCNc2ccc(-c3ccccc3)nn2)CC1	ZINC000674723674	1074540594	/nfs/dbraw/zinc/54/05/94/1074540594.db2.gz	IUZNVHXXGAAYOB-UHFFFAOYSA-N	1	1	411.554	1.881	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCCO)[C@H]1CCc2ccccc21	ZINC000674724988	1074541069	/nfs/dbraw/zinc/54/10/69/1074541069.db2.gz	PYZCCIRGMRDFDL-IRLDBZIGSA-N	1	1	416.566	1.474	20	0		HDADMO
CCC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)CC1CC1	ZINC000674787139	1074566421	/nfs/dbraw/zinc/56/64/21/1074566421.db2.gz	FHWIXRBSWJEVMN-UHFFFAOYSA-N	1	1	409.552	1.650	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1ccccc1Cl	ZINC000674800837	1074570236	/nfs/dbraw/zinc/57/02/36/1074570236.db2.gz	XCXPDQVEOWSCDN-OAHLLOKOSA-N	1	1	403.914	1.866	20	0		HDADMO
CCCn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1C	ZINC001005502755	1074575221	/nfs/dbraw/zinc/57/52/21/1074575221.db2.gz	QQXIKIALPVWURS-NPIHVYMDSA-N	1	1	403.527	1.182	20	0		HDADMO
CCCn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1C	ZINC001005502755	1074575225	/nfs/dbraw/zinc/57/52/25/1074575225.db2.gz	QQXIKIALPVWURS-NPIHVYMDSA-N	1	1	403.527	1.182	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2)cc(OC)c1	ZINC000674811585	1074576564	/nfs/dbraw/zinc/57/65/64/1074576564.db2.gz	KEEBSMPRZNXUKE-OAHLLOKOSA-N	1	1	413.540	1.112	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2)cc(OC)c1	ZINC000674811585	1074576570	/nfs/dbraw/zinc/57/65/70/1074576570.db2.gz	KEEBSMPRZNXUKE-OAHLLOKOSA-N	1	1	413.540	1.112	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NC[C@@]2(C)CCCO2)cc1	ZINC000674851142	1074592101	/nfs/dbraw/zinc/59/21/01/1074592101.db2.gz	STJHXJQJIBBGNE-OAQYLSRUSA-N	1	1	403.527	1.587	20	0		HDADMO
O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000674887996	1074604353	/nfs/dbraw/zinc/60/43/53/1074604353.db2.gz	OGMWNCSVAZBYGX-SFHVURJKSA-N	1	1	412.465	1.575	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1	ZINC000674917482	1074614154	/nfs/dbraw/zinc/61/41/54/1074614154.db2.gz	KTKPFSOCSRRZBC-NHCUHLMSSA-N	1	1	402.539	1.523	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000674922706	1074623120	/nfs/dbraw/zinc/62/31/20/1074623120.db2.gz	GZXGGGSSRVBWLA-WOJBJXKFSA-N	1	1	403.527	1.183	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O	ZINC000674926510	1074624293	/nfs/dbraw/zinc/62/42/93/1074624293.db2.gz	BSVIFQVWWLYLDN-SJLPKXTDSA-N	1	1	415.538	1.268	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O	ZINC000674926510	1074624300	/nfs/dbraw/zinc/62/43/00/1074624300.db2.gz	BSVIFQVWWLYLDN-SJLPKXTDSA-N	1	1	415.538	1.268	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c2cccs2)CC1	ZINC000674972354	1074647957	/nfs/dbraw/zinc/64/79/57/1074647957.db2.gz	RVUJHJKMGILPDP-SQNIBIBYSA-N	1	1	408.568	1.626	20	0		HDADMO
CN(C)S(=O)(=O)C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F	ZINC001128904970	1074653325	/nfs/dbraw/zinc/65/33/25/1074653325.db2.gz	UPURLBOFMLOJGD-STQMWFEESA-N	1	1	415.865	1.881	20	0		HDADMO
Cc1c(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cccc1N1CCOC1=O	ZINC000766086337	1074658452	/nfs/dbraw/zinc/65/84/52/1074658452.db2.gz	JWWQGOVJQGVFKF-GOSISDBHSA-N	1	1	415.494	1.722	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CCCS3)cc2)CC1	ZINC000674997925	1074676620	/nfs/dbraw/zinc/67/66/20/1074676620.db2.gz	RUKKBTJMWLCKNK-QGZVFWFLSA-N	1	1	404.536	1.415	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000429312300	1074681834	/nfs/dbraw/zinc/68/18/34/1074681834.db2.gz	SEMFYJIZEDBUNV-IRXDYDNUSA-N	1	1	404.511	1.013	20	0		HDADMO
CC[C@@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)[N@H+]1CCc2ccccc2C1	ZINC000675088033	1074711423	/nfs/dbraw/zinc/71/14/23/1074711423.db2.gz	VWFZZSUBPAZJOU-OALUTQOASA-N	1	1	413.522	1.501	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)CCN2C1=O	ZINC000675089892	1074712405	/nfs/dbraw/zinc/71/24/05/1074712405.db2.gz	YXXWIYUYIRDZGI-SFHVURJKSA-N	1	1	413.522	1.501	20	0		HDADMO
COc1ccc(C(=O)N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)cc1OC	ZINC000543614012	1074717842	/nfs/dbraw/zinc/71/78/42/1074717842.db2.gz	VFCFNEZTMAEAHB-UHFFFAOYSA-N	1	1	412.490	1.764	20	0		HDADMO
C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[N@H+]1CCCC[C@@H]1C	ZINC000543615340	1074738377	/nfs/dbraw/zinc/73/83/77/1074738377.db2.gz	YMVJEKNXKABUBJ-DLBZAZTESA-N	1	1	402.543	1.854	20	0		HDADMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CC1	ZINC000564172069	1074741774	/nfs/dbraw/zinc/74/17/74/1074741774.db2.gz	AGBKJIAPOLELNC-ZDUSSCGKSA-N	1	1	421.448	2.560	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)nn1-c1cccc(F)c1	ZINC000554009239	1074743176	/nfs/dbraw/zinc/74/31/76/1074743176.db2.gz	GGJKKVYKOQRFTE-GOSISDBHSA-N	1	1	417.485	1.611	20	0		HDADMO
CN(CCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21	ZINC000766096068	1074755125	/nfs/dbraw/zinc/75/51/25/1074755125.db2.gz	GDOQJRUAHIAENQ-FUHWJXTLSA-N	1	1	418.563	1.790	20	0		HDADMO
O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000675219311	1074762809	/nfs/dbraw/zinc/76/28/09/1074762809.db2.gz	NMSIDTWPSNOWMY-MRXNPFEDSA-N	1	1	410.312	1.502	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cccn4c(=O)[nH]nc34)c2)C1	ZINC000509319171	1074769588	/nfs/dbraw/zinc/76/95/88/1074769588.db2.gz	MTZSAIKOQKQFOM-INIZCTEOSA-N	1	1	408.462	1.062	20	0		HDADMO
Nc1nsc(N2CC[NH+](CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)n1	ZINC000675248597	1074771577	/nfs/dbraw/zinc/77/15/77/1074771577.db2.gz	WTVOJYUDBZITJZ-UHFFFAOYSA-N	1	1	415.523	1.398	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1	ZINC000675280597	1074785644	/nfs/dbraw/zinc/78/56/44/1074785644.db2.gz	JWIYDIHYQNMNPU-SFHVURJKSA-N	1	1	409.552	1.213	20	0		HDADMO
Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCCCS(C)(=O)=O)C2)cc1	ZINC000675291442	1074788549	/nfs/dbraw/zinc/78/85/49/1074788549.db2.gz	QTDDIAVHXGIKLA-KRWDZBQOSA-N	1	1	402.582	1.810	20	0		HDADMO
Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCCCS(C)(=O)=O)C2)cc1	ZINC000675291442	1074788558	/nfs/dbraw/zinc/78/85/58/1074788558.db2.gz	QTDDIAVHXGIKLA-KRWDZBQOSA-N	1	1	402.582	1.810	20	0		HDADMO
C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000675300499	1074792129	/nfs/dbraw/zinc/79/21/29/1074792129.db2.gz	AVSISUXRBUBQOZ-HKUYNNGSSA-N	1	1	418.538	1.962	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675304898	1074793522	/nfs/dbraw/zinc/79/35/22/1074793522.db2.gz	HTKZTVGXKVUBFI-SJLPKXTDSA-N	1	1	420.941	1.942	20	0		HDADMO
Cc1cc(NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C	ZINC000555276481	1074796498	/nfs/dbraw/zinc/79/64/98/1074796498.db2.gz	YAABQRSFOGUFGN-QGZVFWFLSA-N	1	1	407.478	1.949	20	0		HDADMO
C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](c2ccsc2)O1	ZINC000675309202	1074796657	/nfs/dbraw/zinc/79/66/57/1074796657.db2.gz	IKIJMOZHFWKHCL-BHIYHBOVSA-N	1	1	408.568	1.626	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@@H+]1C	ZINC000675338436	1074805963	/nfs/dbraw/zinc/80/59/63/1074805963.db2.gz	WXIUYBFKRCZZQG-DLBZAZTESA-N	1	1	406.914	1.360	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@H+]1C	ZINC000675338436	1074805969	/nfs/dbraw/zinc/80/59/69/1074805969.db2.gz	WXIUYBFKRCZZQG-DLBZAZTESA-N	1	1	406.914	1.360	20	0		HDADMO
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)no1	ZINC000531933948	1074812133	/nfs/dbraw/zinc/81/21/33/1074812133.db2.gz	HSZBQWGFNQBSQS-MSOLQXFVSA-N	1	1	419.526	1.987	20	0		HDADMO
CC(C)(C)OC(=O)NCC1(CC(=O)NC2CC[NH+](CC(N)=O)CC2)CCCCC1	ZINC000766107228	1074814284	/nfs/dbraw/zinc/81/42/84/1074814284.db2.gz	OVHVRWLZWQZPPJ-UHFFFAOYSA-N	1	1	410.559	1.918	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC[C@H]21	ZINC000766111583	1074818273	/nfs/dbraw/zinc/81/82/73/1074818273.db2.gz	XTQDYRSUZNWYJL-FGTMMUONSA-N	1	1	402.495	1.100	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)CC[C@@H]21	ZINC000766113589	1074820507	/nfs/dbraw/zinc/82/05/07/1074820507.db2.gz	OYUKQDPHGBEOPD-FHWLQOOXSA-N	1	1	416.522	1.490	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)CC[C@H]21	ZINC000766113591	1074820766	/nfs/dbraw/zinc/82/07/66/1074820766.db2.gz	OYUKQDPHGBEOPD-GBESFXJTSA-N	1	1	416.522	1.490	20	0		HDADMO
C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1(CO)CCC1	ZINC000429248596	1075093280	/nfs/dbraw/zinc/09/32/80/1075093280.db2.gz	WSEURTIDVGYJTJ-UHFFFAOYSA-N	1	1	415.943	1.020	20	0		HDADMO
COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1	ZINC000670510574	1075094048	/nfs/dbraw/zinc/09/40/48/1075094048.db2.gz	QAVHIMZDBSOICW-LAUBAEHRSA-N	1	1	416.566	1.795	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC[N@@H+]1CCO	ZINC000429332417	1075096093	/nfs/dbraw/zinc/09/60/93/1075096093.db2.gz	XBSJMHGXQULTEY-INIZCTEOSA-N	1	1	404.511	1.468	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC[N@H+]1CCO	ZINC000429332417	1075096095	/nfs/dbraw/zinc/09/60/95/1075096095.db2.gz	XBSJMHGXQULTEY-INIZCTEOSA-N	1	1	404.511	1.468	20	0		HDADMO
CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1	ZINC000546104205	1075104677	/nfs/dbraw/zinc/10/46/77/1075104677.db2.gz	NLFUISDFSNFXIU-MRXNPFEDSA-N	1	1	404.471	2.196	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)no1	ZINC000599295968	1075114319	/nfs/dbraw/zinc/11/43/19/1075114319.db2.gz	CUWOZHBOAMPRGE-IBGZPJMESA-N	1	1	419.913	2.022	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]21	ZINC001299295612	1075124244	/nfs/dbraw/zinc/12/42/44/1075124244.db2.gz	GIDLWMPDKBJOOQ-ZWKOTPCHSA-N	1	1	404.540	1.194	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]21	ZINC001299295612	1075124248	/nfs/dbraw/zinc/12/42/48/1075124248.db2.gz	GIDLWMPDKBJOOQ-ZWKOTPCHSA-N	1	1	404.540	1.194	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)C1	ZINC000675394645	1075124947	/nfs/dbraw/zinc/12/49/47/1075124947.db2.gz	KHOWTXJCFRCOKD-PKOBYXMFSA-N	1	1	413.522	1.904	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1	ZINC000501904971	1075126150	/nfs/dbraw/zinc/12/61/50/1075126150.db2.gz	SZILUYQPKYDVDF-OWCLPIDISA-N	1	1	410.540	1.755	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1	ZINC000501904971	1075126155	/nfs/dbraw/zinc/12/61/55/1075126155.db2.gz	SZILUYQPKYDVDF-OWCLPIDISA-N	1	1	410.540	1.755	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1	ZINC000675404853	1075129581	/nfs/dbraw/zinc/12/95/81/1075129581.db2.gz	VIALUVQGTIKBBP-QUCCMNQESA-N	1	1	424.549	1.669	20	0		HDADMO
COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1	ZINC000540744015	1075137293	/nfs/dbraw/zinc/13/72/93/1075137293.db2.gz	DDJSGMGRVYXMMZ-UHFFFAOYSA-N	1	1	407.902	1.857	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466677126	1075138042	/nfs/dbraw/zinc/13/80/42/1075138042.db2.gz	CTKYUXKOLYSEDL-YJBOKZPZSA-N	1	1	421.501	1.595	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000670525295	1075147158	/nfs/dbraw/zinc/14/71/58/1075147158.db2.gz	VBKHYLPJIFHVHV-MSOLQXFVSA-N	1	1	411.506	1.713	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCN(CC(F)(F)F)CC1	ZINC000670525471	1075147532	/nfs/dbraw/zinc/14/75/32/1075147532.db2.gz	VVOVASKAPZBXGN-HNNXBMFYSA-N	1	1	416.444	1.629	20	0		HDADMO
CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1	ZINC000670526667	1075148307	/nfs/dbraw/zinc/14/83/07/1075148307.db2.gz	LVBMVSSHXHCPNB-RBUKOAKNSA-N	1	1	409.571	1.848	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCOC[C@H]1c1ccco1	ZINC000670527044	1075150690	/nfs/dbraw/zinc/15/06/90/1075150690.db2.gz	OTYWLJPPIJGGIZ-KRWDZBQOSA-N	1	1	405.495	1.331	20	0		HDADMO
C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1	ZINC000429253656	1075151465	/nfs/dbraw/zinc/15/14/65/1075151465.db2.gz	KTXBLOATNDNPEL-FXAWDEMLSA-N	1	1	407.580	1.522	20	0		HDADMO
C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1	ZINC000429253659	1075152181	/nfs/dbraw/zinc/15/21/81/1075152181.db2.gz	KTXBLOATNDNPEL-YLJYHZDGSA-N	1	1	407.580	1.522	20	0		HDADMO
CC1(C)c2cc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2NC1=O	ZINC000675457985	1075156680	/nfs/dbraw/zinc/15/66/80/1075156680.db2.gz	AWMXAXWAVRJUGH-QGZVFWFLSA-N	1	1	420.535	1.019	20	0		HDADMO
CC1(C)c2cc(S(=O)(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2NC1=O	ZINC000675457985	1075156682	/nfs/dbraw/zinc/15/66/82/1075156682.db2.gz	AWMXAXWAVRJUGH-QGZVFWFLSA-N	1	1	420.535	1.019	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNS(=O)(=O)CC[C@@H]3CCCO3)c2)C1	ZINC000675461605	1075162969	/nfs/dbraw/zinc/16/29/69/1075162969.db2.gz	WYYPVNGQKITFDO-OALUTQOASA-N	1	1	409.552	1.372	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1	ZINC000540063720	1075165096	/nfs/dbraw/zinc/16/50/96/1075165096.db2.gz	BESQQDXVWIASCV-UHFFFAOYSA-N	1	1	414.293	1.812	20	0		HDADMO
CCS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1	ZINC000675471531	1075167969	/nfs/dbraw/zinc/16/79/69/1075167969.db2.gz	IMJOIABHPODWJE-HNNXBMFYSA-N	1	1	424.544	1.998	20	0		HDADMO
C[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675483011	1075171998	/nfs/dbraw/zinc/17/19/98/1075171998.db2.gz	WZOUTWCFCWLPSM-QFBILLFUSA-N	1	1	409.552	1.495	20	0		HDADMO
C[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675483011	1075172002	/nfs/dbraw/zinc/17/20/02/1075172002.db2.gz	WZOUTWCFCWLPSM-QFBILLFUSA-N	1	1	409.552	1.495	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000446719580	1075175086	/nfs/dbraw/zinc/17/50/86/1075175086.db2.gz	ISROOBDFSASQEC-OAHLLOKOSA-N	1	1	409.412	2.165	20	0		HDADMO
O=C(C[NH2+][C@H](Cn1cccn1)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F	ZINC000675497563	1075179284	/nfs/dbraw/zinc/17/92/84/1075179284.db2.gz	KXCYYAPYHYNZRF-LJQANCHMSA-N	1	1	406.425	1.968	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)Cc3cccn3C)cc2)CC1	ZINC000675516810	1075182103	/nfs/dbraw/zinc/18/21/03/1075182103.db2.gz	CAJCCRXQFZGGIK-UHFFFAOYSA-N	1	1	411.506	1.400	20	0		HDADMO
C[C@@H](C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)n1nnnc1C(C)(C)C	ZINC000543632514	1075183271	/nfs/dbraw/zinc/18/32/71/1075183271.db2.gz	WRXDMFULYUZTKU-HNNXBMFYSA-N	1	1	413.526	1.236	20	0		HDADMO
CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)c1	ZINC000675500487	1075185672	/nfs/dbraw/zinc/18/56/72/1075185672.db2.gz	YBNIDLTZGYKCTE-QGZVFWFLSA-N	1	1	402.539	1.662	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)cc2)CC1	ZINC000675531826	1075192487	/nfs/dbraw/zinc/19/24/87/1075192487.db2.gz	OOHPRWPBLXKUNS-RTBURBONSA-N	1	1	413.522	1.739	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1	ZINC000550839420	1075193062	/nfs/dbraw/zinc/19/30/62/1075193062.db2.gz	ZTKPJDRFTSOEAZ-AWEZNQCLSA-N	1	1	415.460	1.819	20	0		HDADMO
CC(C)[C@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[NH+]1CCOCC1	ZINC000032298273	1075201142	/nfs/dbraw/zinc/20/11/42/1075201142.db2.gz	VAFIPOGXVUYUII-IBGZPJMESA-N	1	1	409.552	1.485	20	0		HDADMO
C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(=O)n(C)n1	ZINC001129023639	1075206423	/nfs/dbraw/zinc/20/64/23/1075206423.db2.gz	ULKUBYRGXIJULQ-LBPRGKRZSA-N	1	1	420.311	1.935	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)n1	ZINC000441763413	1075208747	/nfs/dbraw/zinc/20/87/47/1075208747.db2.gz	HLMWHOSHWCGLOT-MRXNPFEDSA-N	1	1	415.494	1.827	20	0		HDADMO
O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000675578768	1075211064	/nfs/dbraw/zinc/21/10/64/1075211064.db2.gz	IAASPGFZXXEMLU-RXVVDRJESA-N	1	1	424.501	1.487	20	0		HDADMO
O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[N@H+]1Cc1ccccn1	ZINC000675578768	1075211068	/nfs/dbraw/zinc/21/10/68/1075211068.db2.gz	IAASPGFZXXEMLU-RXVVDRJESA-N	1	1	424.501	1.487	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[C@@H](c2ccccc2)C1	ZINC000675586265	1075215226	/nfs/dbraw/zinc/21/52/26/1075215226.db2.gz	OYVFQDOCFDBOII-OAQYLSRUSA-N	1	1	424.549	1.727	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[C@@H](c2ccccc2)C1	ZINC000675586265	1075215231	/nfs/dbraw/zinc/21/52/31/1075215231.db2.gz	OYVFQDOCFDBOII-OAQYLSRUSA-N	1	1	424.549	1.727	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[C@@H](c2ccccc2)C1	ZINC000675586265	1075215238	/nfs/dbraw/zinc/21/52/38/1075215238.db2.gz	OYVFQDOCFDBOII-OAQYLSRUSA-N	1	1	424.549	1.727	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1	ZINC000675585837	1075215778	/nfs/dbraw/zinc/21/57/78/1075215778.db2.gz	FJVQXNUBHOFAOA-UHFFFAOYSA-N	1	1	424.549	1.686	20	0		HDADMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CCOC)n1	ZINC000444514723	1075216234	/nfs/dbraw/zinc/21/62/34/1075216234.db2.gz	HUYOCQZCFGSYKA-IBGZPJMESA-N	1	1	413.522	1.839	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H](C)CCS(C)(=O)=O)cc2)CC1	ZINC000675568130	1075217895	/nfs/dbraw/zinc/21/78/95/1075217895.db2.gz	WVHRPOVYWPWGLC-HNNXBMFYSA-N	1	1	410.540	1.409	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)no1	ZINC000500895505	1075220438	/nfs/dbraw/zinc/22/04/38/1075220438.db2.gz	WAEWBRMBJWGSFP-HNNXBMFYSA-N	1	1	412.556	1.860	20	0		HDADMO
C[NH+]1CCN(CC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1	ZINC000675605943	1075222978	/nfs/dbraw/zinc/22/29/78/1075222978.db2.gz	SOKRURAXQXXZGL-UHFFFAOYSA-N	1	1	420.510	1.490	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)cn1	ZINC000675607444	1075223327	/nfs/dbraw/zinc/22/33/27/1075223327.db2.gz	FEKXJFBKMOGYPZ-UHFFFAOYSA-N	1	1	416.551	1.571	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000483952783	1075227152	/nfs/dbraw/zinc/22/71/52/1075227152.db2.gz	HVUZCLFNPGQVGV-MRXNPFEDSA-N	1	1	404.902	1.909	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1	ZINC000675595215	1075232713	/nfs/dbraw/zinc/23/27/13/1075232713.db2.gz	KLPGOADGSUNPEH-PMACEKPBSA-N	1	1	411.506	1.734	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2ccn(C(C)C)n2)CC1	ZINC000483567644	1075232946	/nfs/dbraw/zinc/23/29/46/1075232946.db2.gz	YOWJPUWUIRWCOY-UHFFFAOYSA-N	1	1	412.538	1.856	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466691993	1075235657	/nfs/dbraw/zinc/23/56/57/1075235657.db2.gz	XYEKUOXQOWPAED-YJBOKZPZSA-N	1	1	415.515	1.808	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466691992	1075235708	/nfs/dbraw/zinc/23/57/08/1075235708.db2.gz	XYEKUOXQOWPAED-QAPCUYQASA-N	1	1	415.515	1.808	20	0		HDADMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000441991668	1075237626	/nfs/dbraw/zinc/23/76/26/1075237626.db2.gz	ZKRXAABZZVRKLS-SJORKVTESA-N	1	1	416.913	2.004	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2cnc3nccn3c2)CC1	ZINC001129032339	1075241258	/nfs/dbraw/zinc/24/12/58/1075241258.db2.gz	BMQJEKDOSGBKFK-UHFFFAOYSA-N	1	1	416.283	1.891	20	0		HDADMO
CN(c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000675652713	1075247693	/nfs/dbraw/zinc/24/76/93/1075247693.db2.gz	SRWFCSGUEHVCCC-RBUKOAKNSA-N	1	1	424.567	1.525	20	0		HDADMO
CCc1c[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)c1	ZINC001005746090	1075248329	/nfs/dbraw/zinc/24/83/29/1075248329.db2.gz	ZMYNEICQSACYHH-CGHHPOIWSA-N	1	1	400.523	1.942	20	0		HDADMO
NC(=O)C1(c2ccccc2)CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1	ZINC000675656346	1075250040	/nfs/dbraw/zinc/25/00/40/1075250040.db2.gz	UMNNHWSTUUTURG-PMACEKPBSA-N	1	1	414.550	1.859	20	0		HDADMO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CC1	ZINC000509359868	1075250350	/nfs/dbraw/zinc/25/03/50/1075250350.db2.gz	TWBUTHVNGHXTEW-LJQANCHMSA-N	1	1	407.534	1.624	20	0		HDADMO
CO[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1Cl	ZINC000675685428	1075254315	/nfs/dbraw/zinc/25/43/15/1075254315.db2.gz	WFIVBPPSDZSEEH-RTBURBONSA-N	1	1	423.941	1.857	20	0		HDADMO
CN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000470676607	1075256057	/nfs/dbraw/zinc/25/60/57/1075256057.db2.gz	DSRHJCCWXMHRBL-IBGZPJMESA-N	1	1	416.547	1.873	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H]1CCC(F)(F)C1	ZINC000675705785	1075258588	/nfs/dbraw/zinc/25/85/88/1075258588.db2.gz	WAKUIHIRACKLOS-AWEZNQCLSA-N	1	1	424.448	1.325	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1	ZINC000675706651	1075258678	/nfs/dbraw/zinc/25/86/78/1075258678.db2.gz	YJPJPZHMTKLMTR-MRXNPFEDSA-N	1	1	408.449	1.707	20	0		HDADMO
CS(=O)(=O)NC1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1	ZINC000675709333	1075259311	/nfs/dbraw/zinc/25/93/11/1075259311.db2.gz	ADVIOIDRCSYLKG-IAGOWNOFSA-N	1	1	416.588	1.181	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2nc3c(s2)COCC3)C[N@H+]1Cc1ccccc1	ZINC000466695360	1075261918	/nfs/dbraw/zinc/26/19/18/1075261918.db2.gz	ITGGJMAEPMMKRI-ZFWWWQNUSA-N	1	1	400.504	1.934	20	0		HDADMO
C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000509367665	1075269114	/nfs/dbraw/zinc/26/91/14/1075269114.db2.gz	YTTUWSMEVRUCQZ-MRXNPFEDSA-N	1	1	400.523	1.637	20	0		HDADMO
O=C(CSc1nccc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675799852	1075272900	/nfs/dbraw/zinc/27/29/00/1075272900.db2.gz	OYHBHWKIKAMPJF-GOSISDBHSA-N	1	1	400.548	1.850	20	0		HDADMO
C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000429380784	1075274110	/nfs/dbraw/zinc/27/41/10/1075274110.db2.gz	VGNZKEWUKHMNRE-GJZGRUSLSA-N	1	1	424.567	1.630	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC4(CCC4)[C@H]3C3CC3)n2)c1C	ZINC000577685913	1075277960	/nfs/dbraw/zinc/27/79/60/1075277960.db2.gz	LNSMMCLJEKJUEZ-GOSISDBHSA-N	1	1	424.505	2.076	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1	ZINC001129073494	1075278320	/nfs/dbraw/zinc/27/83/20/1075278320.db2.gz	GSFXNVAQWXJTLT-RLLQIKCJSA-N	1	1	419.547	1.595	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466698422	1075279367	/nfs/dbraw/zinc/27/93/67/1075279367.db2.gz	XLPBVSNCJYDOHF-LPHOPBHVSA-N	1	1	404.474	1.985	20	0		HDADMO
O=S(=O)(NCCNc1cc[nH+]c(N2CCCCC2)n1)c1ccc(Cl)s1	ZINC000546052317	1075280390	/nfs/dbraw/zinc/28/03/90/1075280390.db2.gz	LYOXKKDAWBYXJV-UHFFFAOYSA-N	1	1	401.945	2.572	20	0		HDADMO
CN(CC(=O)N1CCCC1)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000675842802	1075281517	/nfs/dbraw/zinc/28/15/17/1075281517.db2.gz	BVMDEFMFJGQSCI-UHFFFAOYSA-N	1	1	407.946	1.726	20	0		HDADMO
O=S(=O)(c1cccs1)N1CC[C@@H](CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)C1	ZINC000584130769	1075286230	/nfs/dbraw/zinc/28/62/30/1075286230.db2.gz	OICUVSLOOFITAW-GJZGRUSLSA-N	1	1	423.564	2.252	20	0		HDADMO
O=S(=O)(c1cccs1)N1CC[C@H](CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1	ZINC000584130770	1075286617	/nfs/dbraw/zinc/28/66/17/1075286617.db2.gz	OICUVSLOOFITAW-HUUCEWRRSA-N	1	1	423.564	2.252	20	0		HDADMO
Cc1c([C@H](C)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1	ZINC000675885462	1075289139	/nfs/dbraw/zinc/28/91/39/1075289139.db2.gz	BDKADIQWHHMCGU-QFBILLFUSA-N	1	1	402.518	1.772	20	0		HDADMO
Cc1c([C@H](C)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1	ZINC000675885462	1075289143	/nfs/dbraw/zinc/28/91/43/1075289143.db2.gz	BDKADIQWHHMCGU-QFBILLFUSA-N	1	1	402.518	1.772	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1	ZINC000731301685	1075302740	/nfs/dbraw/zinc/30/27/40/1075302740.db2.gz	ZFZIQZBFMXGOHZ-KRWDZBQOSA-N	1	1	410.540	1.667	20	0		HDADMO
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC000675942190	1075302806	/nfs/dbraw/zinc/30/28/06/1075302806.db2.gz	LAIJTIBJQIKIJO-HNNXBMFYSA-N	1	1	415.943	1.666	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)[nH+]c1	ZINC000437713429	1075302923	/nfs/dbraw/zinc/30/29/23/1075302923.db2.gz	ABROFTQNVZQMBP-RTWAWAEBSA-N	1	1	409.534	2.487	20	0		HDADMO
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CC[NH+](C)CC3)c12	ZINC000675943964	1075303176	/nfs/dbraw/zinc/30/31/76/1075303176.db2.gz	MHBRODFVKYFGQE-OAHLLOKOSA-N	1	1	417.535	1.364	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)[nH+]c1	ZINC000471583990	1075303950	/nfs/dbraw/zinc/30/39/50/1075303950.db2.gz	CWPKWKSTGFAYBP-ROUUACIJSA-N	1	1	403.506	1.837	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[nH+]c1	ZINC000547789451	1075304242	/nfs/dbraw/zinc/30/42/42/1075304242.db2.gz	QVCLYFGNKZPYPB-INIZCTEOSA-N	1	1	419.551	2.503	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)[C@H]1C(C)C	ZINC000429386155	1075306344	/nfs/dbraw/zinc/30/63/44/1075306344.db2.gz	WMUSRTRXKSMTDA-ZWOKBUDYSA-N	1	1	403.523	1.949	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1	ZINC000675952726	1075313533	/nfs/dbraw/zinc/31/35/33/1075313533.db2.gz	IOALPYPFPZYONN-MRXNPFEDSA-N	1	1	413.360	1.808	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cccc(N4CCOC4=O)c3)CC2)CC1	ZINC000731351065	1075313962	/nfs/dbraw/zinc/31/39/62/1075313962.db2.gz	KCKMCTUHOHVQBA-UHFFFAOYSA-N	1	1	414.506	1.660	20	0		HDADMO
CCOC(=O)N1CCC(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1	ZINC000731351655	1075315350	/nfs/dbraw/zinc/31/53/50/1075315350.db2.gz	SOMJZTTVURBKGG-UHFFFAOYSA-N	1	1	408.543	1.258	20	0		HDADMO
COC(=O)Nc1ccc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1	ZINC000731352508	1075316586	/nfs/dbraw/zinc/31/65/86/1075316586.db2.gz	MJKNOLCDOLRTLT-UHFFFAOYSA-N	1	1	402.495	1.881	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1	ZINC000676000723	1075321427	/nfs/dbraw/zinc/32/14/27/1075321427.db2.gz	FNJAAKQBFRPKLO-AWEZNQCLSA-N	1	1	402.392	1.691	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429388431	1075325097	/nfs/dbraw/zinc/32/50/97/1075325097.db2.gz	RLKIWAFBLRJSCL-ZWKOTPCHSA-N	1	1	402.539	1.759	20	0		HDADMO
Cc1nccc(N2CC[NH+](CCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)n1	ZINC000546809248	1075330494	/nfs/dbraw/zinc/33/04/94/1075330494.db2.gz	DKFAKXTXGIWTLF-UHFFFAOYSA-N	1	1	405.524	1.236	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1(O)CCCc2ccccc21	ZINC000731404343	1075331139	/nfs/dbraw/zinc/33/11/39/1075331139.db2.gz	ARYNTAZETRDGIN-DENIHFKCSA-N	1	1	402.539	1.452	20	0		HDADMO
CCCc1ccc(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1	ZINC000731409439	1075334558	/nfs/dbraw/zinc/33/45/58/1075334558.db2.gz	NGVFRLKEQMCDCJ-UHFFFAOYSA-N	1	1	414.550	1.980	20	0		HDADMO
CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCNc3ccn(C)n3)c2c1C	ZINC000439127814	1075337751	/nfs/dbraw/zinc/33/77/51/1075337751.db2.gz	LDNIWKCYTKQOHE-UHFFFAOYSA-N	1	1	417.539	2.496	20	0		HDADMO
COc1ccc(NC(=O)C[N@H+](C)CCOC(C)(C)C)cc1S(=O)(=O)N(C)C	ZINC000676042733	1075338755	/nfs/dbraw/zinc/33/87/55/1075338755.db2.gz	MJOUYQVSVGSARJ-UHFFFAOYSA-N	1	1	401.529	1.631	20	0		HDADMO
COc1ccc(NC(=O)C[N@@H+](C)CCOC(C)(C)C)cc1S(=O)(=O)N(C)C	ZINC000676042733	1075338758	/nfs/dbraw/zinc/33/87/58/1075338758.db2.gz	MJOUYQVSVGSARJ-UHFFFAOYSA-N	1	1	401.529	1.631	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1	ZINC000676044868	1075339510	/nfs/dbraw/zinc/33/95/10/1075339510.db2.gz	LPWYJWGSLVHNPW-INIZCTEOSA-N	1	1	403.433	1.909	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C3CC3)n(CC)n2)[C@@H](C)C1	ZINC000469175839	1075340833	/nfs/dbraw/zinc/34/08/33/1075340833.db2.gz	YSDZOEZMOULODF-RDJZCZTQSA-N	1	1	405.543	1.972	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC2N=NC(=S)N2C(C)C)CC1=O	ZINC000731447276	1075344157	/nfs/dbraw/zinc/34/41/57/1075344157.db2.gz	UIDSEAWZWNZTJA-CABCVRRESA-N	1	1	408.572	1.139	20	0		HDADMO
C[C@H](NC(=O)CNC(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccc(F)cc1	ZINC000429394818	1075349049	/nfs/dbraw/zinc/34/90/49/1075349049.db2.gz	PLDBIYUEZVLMGG-IRXDYDNUSA-N	1	1	404.530	1.925	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@H](c2ccccn2)C1	ZINC000804084039	1075351304	/nfs/dbraw/zinc/35/13/04/1075351304.db2.gz	KKQSPBIXGMJDKK-IBGZPJMESA-N	1	1	422.533	1.121	20	0		HDADMO
Cc1ccc(N2CCC(NC(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)CC2)[nH+]c1	ZINC000429392126	1075354150	/nfs/dbraw/zinc/35/41/50/1075354150.db2.gz	GNWCIKPDAAHOMI-UHFFFAOYSA-N	1	1	423.477	1.871	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)N2CCCC2)cc1	ZINC000676093445	1075354384	/nfs/dbraw/zinc/35/43/84/1075354384.db2.gz	JNBYIGBFPNNIFW-FQEVSTJZSA-N	1	1	412.538	1.645	20	0		HDADMO
Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)[nH]c2c1	ZINC000676093457	1075354433	/nfs/dbraw/zinc/35/44/33/1075354433.db2.gz	JPUNVFPEIGZKLE-GOSISDBHSA-N	1	1	409.494	1.932	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1	ZINC000731464141	1075356487	/nfs/dbraw/zinc/35/64/87/1075356487.db2.gz	CQMWMQPBCJMTDY-GOSISDBHSA-N	1	1	406.552	1.645	20	0		HDADMO
Cn1c2ccc(S(=O)(=O)N3C[C@H]([NH+](C)C)Cc4ccccc43)cc2n(C)c1=O	ZINC000731466344	1075357695	/nfs/dbraw/zinc/35/76/95/1075357695.db2.gz	AIMPSQBDANLATE-OAHLLOKOSA-N	1	1	400.504	1.559	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000731467986	1075358191	/nfs/dbraw/zinc/35/81/91/1075358191.db2.gz	ZTZAFPFODSXMLB-INIZCTEOSA-N	1	1	423.560	1.619	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000731482583	1075366119	/nfs/dbraw/zinc/36/61/19/1075366119.db2.gz	MQGDCHJJVRCBMX-IAGOWNOFSA-N	1	1	409.552	1.700	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000731482583	1075366127	/nfs/dbraw/zinc/36/61/27/1075366127.db2.gz	MQGDCHJJVRCBMX-IAGOWNOFSA-N	1	1	409.552	1.700	20	0		HDADMO
O=C(Nc1cnn(-c2ccccc2F)c1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000676091721	1075376412	/nfs/dbraw/zinc/37/64/12/1075376412.db2.gz	IEWXIYSIMRZKOW-KRWDZBQOSA-N	1	1	415.469	1.663	20	0		HDADMO
O=C(Nc1cnn(-c2ccncc2)c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000676091157	1075377028	/nfs/dbraw/zinc/37/70/28/1075377028.db2.gz	BRNZRDNBYJCDAF-UHFFFAOYSA-N	1	1	405.462	1.382	20	0		HDADMO
COc1ccccc1CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001035452756	1075377904	/nfs/dbraw/zinc/37/79/04/1075377904.db2.gz	SGPNNFSPLHHBBZ-RVEDGADZSA-N	1	1	400.519	1.868	20	0		HDADMO
COc1ccccc1CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001035452756	1075377909	/nfs/dbraw/zinc/37/79/09/1075377909.db2.gz	SGPNNFSPLHHBBZ-RVEDGADZSA-N	1	1	400.519	1.868	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804088228	1075379899	/nfs/dbraw/zinc/37/98/99/1075379899.db2.gz	BEUHUBOMJNHUNV-DLTWYDFYSA-N	1	1	408.543	1.537	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21	ZINC000804089457	1075383263	/nfs/dbraw/zinc/38/32/63/1075383263.db2.gz	BDOHTNCLNLHUTC-BRSBDYLESA-N	1	1	422.570	1.881	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000466713369	1075383629	/nfs/dbraw/zinc/38/36/29/1075383629.db2.gz	NHWVSGXGPOOAIN-GDBMZVCRSA-N	1	1	421.519	1.211	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000466713369	1075383635	/nfs/dbraw/zinc/38/36/35/1075383635.db2.gz	NHWVSGXGPOOAIN-GDBMZVCRSA-N	1	1	421.519	1.211	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804087984	1075387118	/nfs/dbraw/zinc/38/71/18/1075387118.db2.gz	MQYHYNOFSJYSNL-IKGGRYGDSA-N	1	1	410.559	1.787	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)n2)cc1	ZINC000426937070	1075397971	/nfs/dbraw/zinc/39/79/71/1075397971.db2.gz	MMPYPYRUFUQLKG-MJGOQNOKSA-N	1	1	411.506	1.821	20	0		HDADMO
O=C(NC1CCN(CC(F)F)CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676148660	1075399123	/nfs/dbraw/zinc/39/91/23/1075399123.db2.gz	ZLFNVPYKPXJIHZ-IEBWSBKVSA-N	1	1	410.509	1.898	20	0		HDADMO
C[C@@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC[N@H+](C2CCC2)C1	ZINC000429399422	1075405841	/nfs/dbraw/zinc/40/58/41/1075405841.db2.gz	CGSPUELATKAGMA-OAHLLOKOSA-N	1	1	402.495	1.912	20	0		HDADMO
C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)C1	ZINC000804106216	1075408357	/nfs/dbraw/zinc/40/83/57/1075408357.db2.gz	IPXJUMHRDXSWMQ-GOSISDBHSA-N	1	1	418.538	1.580	20	0		HDADMO
CN(C)c1nc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cs1	ZINC000676161292	1075414618	/nfs/dbraw/zinc/41/46/18/1075414618.db2.gz	ZQVIOZMQJIJOFD-WMZOPIPTSA-N	1	1	403.552	1.891	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccoc2COc2ccc(C=O)cc2)C1	ZINC000731626815	1075419940	/nfs/dbraw/zinc/41/99/40/1075419940.db2.gz	HADDIUDXNZFQOY-KRWDZBQOSA-N	1	1	413.474	1.988	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nn1	ZINC000551498641	1075423364	/nfs/dbraw/zinc/42/33/64/1075423364.db2.gz	GCQLDQQOZZRPFV-QFIPXVFZSA-N	1	1	409.490	1.938	20	0		HDADMO
CCOc1ccnc(N2CCCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC2)n1	ZINC000676194131	1075431394	/nfs/dbraw/zinc/43/13/94/1075431394.db2.gz	IMRNXEDIQXHMIK-LJQANCHMSA-N	1	1	410.522	1.974	20	0		HDADMO
CCOc1ccnc(N2CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC2)n1	ZINC000676194131	1075431398	/nfs/dbraw/zinc/43/13/98/1075431398.db2.gz	IMRNXEDIQXHMIK-LJQANCHMSA-N	1	1	410.522	1.974	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC000509389733	1075435160	/nfs/dbraw/zinc/43/51/60/1075435160.db2.gz	UARBLLYHXHUFJX-IAGOWNOFSA-N	1	1	409.552	1.851	20	0		HDADMO
CCCCn1c2nc(CN3CC[N@H+](C4CCC4)C[C@H](C)C3)n(C)c2c(=O)[nH]c1=O	ZINC000429404954	1075437084	/nfs/dbraw/zinc/43/70/84/1075437084.db2.gz	HTTGVBKBAKBWJC-OAHLLOKOSA-N	1	1	402.543	1.942	20	0		HDADMO
Cc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1F	ZINC000731655175	1075439077	/nfs/dbraw/zinc/43/90/77/1075439077.db2.gz	JKLVUTAVRAKMSE-HNNXBMFYSA-N	1	1	404.486	1.156	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1	ZINC000731655253	1075439095	/nfs/dbraw/zinc/43/90/95/1075439095.db2.gz	FWDDYGDSRQZNBY-UHFFFAOYSA-N	1	1	418.519	1.164	20	0		HDADMO
CC(C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1	ZINC000466719392	1075441237	/nfs/dbraw/zinc/44/12/37/1075441237.db2.gz	RKRBDTLBOSDBNF-RXVVDRJESA-N	1	1	415.534	1.865	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676244566	1075446754	/nfs/dbraw/zinc/44/67/54/1075446754.db2.gz	VUSMDUJZIIUXBJ-LPHOPBHVSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244566	1075446759	/nfs/dbraw/zinc/44/67/59/1075446759.db2.gz	VUSMDUJZIIUXBJ-LPHOPBHVSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676258308	1075453735	/nfs/dbraw/zinc/45/37/35/1075453735.db2.gz	HLXSRUUWAKTNEM-CGTJXYLNSA-N	1	1	420.579	1.774	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258308	1075453740	/nfs/dbraw/zinc/45/37/40/1075453740.db2.gz	HLXSRUUWAKTNEM-CGTJXYLNSA-N	1	1	420.579	1.774	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1C	ZINC000676258296	1075453750	/nfs/dbraw/zinc/45/37/50/1075453750.db2.gz	HHSULIDAUGKMAU-FXAWDEMLSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1C	ZINC000676258296	1075453753	/nfs/dbraw/zinc/45/37/53/1075453753.db2.gz	HHSULIDAUGKMAU-FXAWDEMLSA-N	1	1	423.579	1.539	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676258975	1075454312	/nfs/dbraw/zinc/45/43/12/1075454312.db2.gz	HFURTHNOHBKNSV-WOSRLPQWSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258975	1075454314	/nfs/dbraw/zinc/45/43/14/1075454314.db2.gz	HFURTHNOHBKNSV-WOSRLPQWSA-N	1	1	410.312	1.637	20	0		HDADMO
CCCC[N@@H+](CCOC)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000731667996	1075454510	/nfs/dbraw/zinc/45/45/10/1075454510.db2.gz	ZFSXBIADMXZKSH-ZDLGFXPLSA-N	1	1	423.579	1.880	20	0		HDADMO
C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258655	1075455255	/nfs/dbraw/zinc/45/52/55/1075455255.db2.gz	VOBDVMMVDNNPNS-PBHICJAKSA-N	1	1	401.504	1.062	20	0		HDADMO
C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258655	1075455267	/nfs/dbraw/zinc/45/52/67/1075455267.db2.gz	VOBDVMMVDNNPNS-PBHICJAKSA-N	1	1	401.504	1.062	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676258335	1075455861	/nfs/dbraw/zinc/45/58/61/1075455861.db2.gz	SZHOQVZBHBWPJF-PFRQMTDMSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258335	1075455865	/nfs/dbraw/zinc/45/58/65/1075455865.db2.gz	SZHOQVZBHBWPJF-PFRQMTDMSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259801	1075456467	/nfs/dbraw/zinc/45/64/67/1075456467.db2.gz	BUNUAMGCWJGRJP-YOEHRIQHSA-N	1	1	412.556	1.745	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259801	1075456473	/nfs/dbraw/zinc/45/64/73/1075456473.db2.gz	BUNUAMGCWJGRJP-YOEHRIQHSA-N	1	1	412.556	1.745	20	0		HDADMO
C[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676259217	1075457814	/nfs/dbraw/zinc/45/78/14/1075457814.db2.gz	JGGCJLGMGKEJEX-XHDPSFHLSA-N	1	1	424.295	1.271	20	0		HDADMO
C[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676259217	1075457816	/nfs/dbraw/zinc/45/78/16/1075457816.db2.gz	JGGCJLGMGKEJEX-XHDPSFHLSA-N	1	1	424.295	1.271	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)cc1	ZINC000676260565	1075458754	/nfs/dbraw/zinc/45/87/54/1075458754.db2.gz	FZAIQLILACXENT-LNLFQRSKSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)cc1	ZINC000676260565	1075458758	/nfs/dbraw/zinc/45/87/58/1075458758.db2.gz	FZAIQLILACXENT-LNLFQRSKSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)N1CCCCC1	ZINC000676262267	1075461589	/nfs/dbraw/zinc/46/15/89/1075461589.db2.gz	WYGNAARZBMRUPE-AEFFLSMTSA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)N1CCCCC1	ZINC000676262267	1075461594	/nfs/dbraw/zinc/46/15/94/1075461594.db2.gz	WYGNAARZBMRUPE-AEFFLSMTSA-N	1	1	409.552	1.619	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676248705	1075465262	/nfs/dbraw/zinc/46/52/62/1075465262.db2.gz	WDHVBMHRMWQULP-CRAIPNDOSA-N	1	1	408.930	1.455	20	0		HDADMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)CC1	ZINC000472899791	1075465340	/nfs/dbraw/zinc/46/53/40/1075465340.db2.gz	KQYGZYLCTYCCBE-IEBWSBKVSA-N	1	1	413.522	1.654	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248705	1075465269	/nfs/dbraw/zinc/46/52/69/1075465269.db2.gz	WDHVBMHRMWQULP-CRAIPNDOSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248417	1075465899	/nfs/dbraw/zinc/46/58/99/1075465899.db2.gz	SSGUIIPLIWTUGV-MJGOQNOKSA-N	1	1	403.527	1.285	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248417	1075465903	/nfs/dbraw/zinc/46/59/03/1075465903.db2.gz	SSGUIIPLIWTUGV-MJGOQNOKSA-N	1	1	403.527	1.285	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000676248576	1075466092	/nfs/dbraw/zinc/46/60/92/1075466092.db2.gz	FRGHXBPAACAVHY-BXWFABGCSA-N	1	1	403.527	1.632	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000676248576	1075466095	/nfs/dbraw/zinc/46/60/95/1075466095.db2.gz	FRGHXBPAACAVHY-BXWFABGCSA-N	1	1	403.527	1.632	20	0		HDADMO
C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250031	1075466756	/nfs/dbraw/zinc/46/67/56/1075466756.db2.gz	KPDUSMZUTNXMNX-DOMZBBRYSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250031	1075466760	/nfs/dbraw/zinc/46/67/60/1075466760.db2.gz	KPDUSMZUTNXMNX-DOMZBBRYSA-N	1	1	413.316	1.197	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676251568	1075469076	/nfs/dbraw/zinc/46/90/76/1075469076.db2.gz	NKMODCGUUGBYNM-IUODEOHRSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676251568	1075469077	/nfs/dbraw/zinc/46/90/77/1075469077.db2.gz	NKMODCGUUGBYNM-IUODEOHRSA-N	1	1	413.316	1.714	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252185	1075469671	/nfs/dbraw/zinc/46/96/71/1075469671.db2.gz	PZDCITPDHXHNJO-BXWFABGCSA-N	1	1	421.517	1.199	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252185	1075469675	/nfs/dbraw/zinc/46/96/75/1075469675.db2.gz	PZDCITPDHXHNJO-BXWFABGCSA-N	1	1	421.517	1.199	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676253210	1075471068	/nfs/dbraw/zinc/47/10/68/1075471068.db2.gz	ZHJTVJQZCCIJLF-ROUUACIJSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676253210	1075471076	/nfs/dbraw/zinc/47/10/76/1075471076.db2.gz	ZHJTVJQZCCIJLF-ROUUACIJSA-N	1	1	424.567	1.038	20	0		HDADMO
O=C(Cc1cccc(OCC(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676276747	1075475629	/nfs/dbraw/zinc/47/56/29/1075475629.db2.gz	VBUSOAMDAHNHDL-QGZVFWFLSA-N	1	1	415.456	1.693	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676278119	1075476276	/nfs/dbraw/zinc/47/62/76/1075476276.db2.gz	GAOOEBCDHDLLDV-VQIMIIECSA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278119	1075476282	/nfs/dbraw/zinc/47/62/82/1075476282.db2.gz	GAOOEBCDHDLLDV-VQIMIIECSA-N	1	1	416.522	1.333	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1	ZINC000676278160	1075476367	/nfs/dbraw/zinc/47/63/67/1075476367.db2.gz	FFAREGTXEMTSMO-SUMWQHHRSA-N	1	1	413.478	1.696	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1	ZINC000676278160	1075476370	/nfs/dbraw/zinc/47/63/70/1075476370.db2.gz	FFAREGTXEMTSMO-SUMWQHHRSA-N	1	1	413.478	1.696	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277921	1075477048	/nfs/dbraw/zinc/47/70/48/1075477048.db2.gz	CCBKMPLPMWGBCK-BEFAXECRSA-N	1	1	416.522	1.523	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277921	1075477050	/nfs/dbraw/zinc/47/70/50/1075477050.db2.gz	CCBKMPLPMWGBCK-BEFAXECRSA-N	1	1	416.522	1.523	20	0		HDADMO
COc1cccc(Cc2nnc(NC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)s2)c1	ZINC000466150823	1075477441	/nfs/dbraw/zinc/47/74/41/1075477441.db2.gz	VOLRIEAPWPVGSR-HNNXBMFYSA-N	1	1	418.567	2.143	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@@H]1C[N@H+](C)CCO1	ZINC000676277833	1075477640	/nfs/dbraw/zinc/47/76/40/1075477640.db2.gz	CJEZGBJISYZTDB-WBMJQRKESA-N	1	1	408.886	1.241	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277833	1075477641	/nfs/dbraw/zinc/47/76/41/1075477641.db2.gz	CJEZGBJISYZTDB-WBMJQRKESA-N	1	1	408.886	1.241	20	0		HDADMO
Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676278257	1075478016	/nfs/dbraw/zinc/47/80/16/1075478016.db2.gz	GVKBREVVLKGWRM-YJBOKZPZSA-N	1	1	406.552	1.322	20	0		HDADMO
Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278257	1075478019	/nfs/dbraw/zinc/47/80/19/1075478019.db2.gz	GVKBREVVLKGWRM-YJBOKZPZSA-N	1	1	406.552	1.322	20	0		HDADMO
CC(C)OCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676278212	1075478040	/nfs/dbraw/zinc/47/80/40/1075478040.db2.gz	FYCQKIHSGIBSIG-VQIMIIECSA-N	1	1	407.511	1.402	20	0		HDADMO
CC(C)OCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676278212	1075478044	/nfs/dbraw/zinc/47/80/44/1075478044.db2.gz	FYCQKIHSGIBSIG-VQIMIIECSA-N	1	1	407.511	1.402	20	0		HDADMO
Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676278255	1075478099	/nfs/dbraw/zinc/47/80/99/1075478099.db2.gz	GVKBREVVLKGWRM-MAUKXSAKSA-N	1	1	406.552	1.322	20	0		HDADMO
Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676278255	1075478105	/nfs/dbraw/zinc/47/81/05/1075478105.db2.gz	GVKBREVVLKGWRM-MAUKXSAKSA-N	1	1	406.552	1.322	20	0		HDADMO
Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676278256	1075478212	/nfs/dbraw/zinc/47/82/12/1075478212.db2.gz	GVKBREVVLKGWRM-QAPCUYQASA-N	1	1	406.552	1.322	20	0		HDADMO
Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278256	1075478218	/nfs/dbraw/zinc/47/82/18/1075478218.db2.gz	GVKBREVVLKGWRM-QAPCUYQASA-N	1	1	406.552	1.322	20	0		HDADMO
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676278807	1075479630	/nfs/dbraw/zinc/47/96/30/1075479630.db2.gz	KIIVZLFTWPZHDJ-QAPCUYQASA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278807	1075479634	/nfs/dbraw/zinc/47/96/34/1075479634.db2.gz	KIIVZLFTWPZHDJ-QAPCUYQASA-N	1	1	402.495	1.005	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278788	1075479705	/nfs/dbraw/zinc/47/97/05/1075479705.db2.gz	JZCHYZJZPYCLHI-KXBFYZLASA-N	1	1	401.463	1.770	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278788	1075479707	/nfs/dbraw/zinc/47/97/07/1075479707.db2.gz	JZCHYZJZPYCLHI-KXBFYZLASA-N	1	1	401.463	1.770	20	0		HDADMO
COc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1Br	ZINC000676278664	1075480220	/nfs/dbraw/zinc/48/02/20/1075480220.db2.gz	JTAVEZCUWARAGL-QMTHXVAHSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1Br	ZINC000676278664	1075480224	/nfs/dbraw/zinc/48/02/24/1075480224.db2.gz	JTAVEZCUWARAGL-QMTHXVAHSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676278861	1075480273	/nfs/dbraw/zinc/48/02/73/1075480273.db2.gz	LIQSFWIFWBZULV-SUMWQHHRSA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278861	1075480278	/nfs/dbraw/zinc/48/02/78/1075480278.db2.gz	LIQSFWIFWBZULV-SUMWQHHRSA-N	1	1	404.492	1.496	20	0		HDADMO
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc2F)n1	ZINC000676278683	1075480332	/nfs/dbraw/zinc/48/03/32/1075480332.db2.gz	JXLJCHHUFSNCCV-KDOFPFPSSA-N	1	1	403.458	1.402	20	0		HDADMO
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2F)n1	ZINC000676278683	1075480337	/nfs/dbraw/zinc/48/03/37/1075480337.db2.gz	JXLJCHHUFSNCCV-KDOFPFPSSA-N	1	1	403.458	1.402	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280011	1075481989	/nfs/dbraw/zinc/48/19/89/1075481989.db2.gz	SKYUUKFPBNGRCO-MGPUTAFESA-N	1	1	407.474	1.799	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280011	1075481996	/nfs/dbraw/zinc/48/19/96/1075481996.db2.gz	SKYUUKFPBNGRCO-MGPUTAFESA-N	1	1	407.474	1.799	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280012	1075482660	/nfs/dbraw/zinc/48/26/60/1075482660.db2.gz	SKYUUKFPBNGRCO-QRWLVFNGSA-N	1	1	407.474	1.799	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280012	1075482663	/nfs/dbraw/zinc/48/26/63/1075482663.db2.gz	SKYUUKFPBNGRCO-QRWLVFNGSA-N	1	1	407.474	1.799	20	0		HDADMO
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676279493	1075483215	/nfs/dbraw/zinc/48/32/15/1075483215.db2.gz	OLNRSTMJDRSZTQ-CXAGYDPISA-N	1	1	424.929	1.594	20	0		HDADMO
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676279493	1075483217	/nfs/dbraw/zinc/48/32/17/1075483217.db2.gz	OLNRSTMJDRSZTQ-CXAGYDPISA-N	1	1	424.929	1.594	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279359	1075484607	/nfs/dbraw/zinc/48/46/07/1075484607.db2.gz	OQAUFTWGGUHJPW-LIRRHRJNSA-N	1	1	416.453	1.574	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279359	1075484608	/nfs/dbraw/zinc/48/46/08/1075484608.db2.gz	OQAUFTWGGUHJPW-LIRRHRJNSA-N	1	1	416.453	1.574	20	0		HDADMO
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676280874	1075485530	/nfs/dbraw/zinc/48/55/30/1075485530.db2.gz	ULKMKWMZSMATBM-WBMJQRKESA-N	1	1	410.902	1.254	20	0		HDADMO
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676280874	1075485537	/nfs/dbraw/zinc/48/55/37/1075485537.db2.gz	ULKMKWMZSMATBM-WBMJQRKESA-N	1	1	410.902	1.254	20	0		HDADMO
COc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cn2)cc1	ZINC000676280340	1075487177	/nfs/dbraw/zinc/48/71/77/1075487177.db2.gz	RUIQRYRCYNIFQR-KDOFPFPSSA-N	1	1	414.462	1.656	20	0		HDADMO
COc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cn2)cc1	ZINC000676280340	1075487180	/nfs/dbraw/zinc/48/71/80/1075487180.db2.gz	RUIQRYRCYNIFQR-KDOFPFPSSA-N	1	1	414.462	1.656	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[N@H+](C)CCO1	ZINC000676281713	1075488253	/nfs/dbraw/zinc/48/82/53/1075488253.db2.gz	OIVFVGDWKCEKHQ-QFBILLFUSA-N	1	1	412.490	1.477	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281713	1075488259	/nfs/dbraw/zinc/48/82/59/1075488259.db2.gz	OIVFVGDWKCEKHQ-QFBILLFUSA-N	1	1	412.490	1.477	20	0		HDADMO
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676281556	1075488769	/nfs/dbraw/zinc/48/87/69/1075488769.db2.gz	NPUZHMLSIGKCHH-NHYWBVRUSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281556	1075488771	/nfs/dbraw/zinc/48/87/71/1075488771.db2.gz	NPUZHMLSIGKCHH-NHYWBVRUSA-N	1	1	403.401	1.878	20	0		HDADMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1	ZINC000676283222	1075489919	/nfs/dbraw/zinc/48/99/19/1075489919.db2.gz	XWOFMVCGGCRNBS-QFBILLFUSA-N	1	1	413.522	1.829	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676282686	1075489972	/nfs/dbraw/zinc/48/99/72/1075489972.db2.gz	UFWQFBNTJJPGIS-VQIMIIECSA-N	1	1	416.522	1.015	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676282686	1075489974	/nfs/dbraw/zinc/48/99/74/1075489974.db2.gz	UFWQFBNTJJPGIS-VQIMIIECSA-N	1	1	416.522	1.015	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676283431	1075490766	/nfs/dbraw/zinc/49/07/66/1075490766.db2.gz	ZBEPMGHNPAZLIG-ZBEGNZNMSA-N	1	1	408.886	1.006	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676283431	1075490769	/nfs/dbraw/zinc/49/07/69/1075490769.db2.gz	ZBEPMGHNPAZLIG-ZBEGNZNMSA-N	1	1	408.886	1.006	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)s1	ZINC000676288946	1075492706	/nfs/dbraw/zinc/49/27/06/1075492706.db2.gz	BSYWQNNYQDYIOW-RRFJBIMHSA-N	1	1	401.554	1.045	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)s1	ZINC000676288946	1075492708	/nfs/dbraw/zinc/49/27/08/1075492708.db2.gz	BSYWQNNYQDYIOW-RRFJBIMHSA-N	1	1	401.554	1.045	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676288905	1075492791	/nfs/dbraw/zinc/49/27/91/1075492791.db2.gz	AMZYHYPKNMJDGS-JQFCIGGWSA-N	1	1	424.339	1.889	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676288905	1075492795	/nfs/dbraw/zinc/49/27/95/1075492795.db2.gz	AMZYHYPKNMJDGS-JQFCIGGWSA-N	1	1	424.339	1.889	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)s1	ZINC000676288944	1075492849	/nfs/dbraw/zinc/49/28/49/1075492849.db2.gz	BSYWQNNYQDYIOW-KFWWJZLASA-N	1	1	401.554	1.045	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)s1	ZINC000676288944	1075492851	/nfs/dbraw/zinc/49/28/51/1075492851.db2.gz	BSYWQNNYQDYIOW-KFWWJZLASA-N	1	1	401.554	1.045	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)cc1	ZINC000676308614	1075493566	/nfs/dbraw/zinc/49/35/66/1075493566.db2.gz	XCPHCZKFZYBMBE-UHFFFAOYSA-N	1	1	411.506	1.603	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1	ZINC000676291183	1075494972	/nfs/dbraw/zinc/49/49/72/1075494972.db2.gz	LAJSTZITRUZQCJ-UHFFFAOYSA-N	1	1	423.508	1.345	20	0		HDADMO
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nc(N2CCOCC2)cc[nH+]1	ZINC000676304587	1075502726	/nfs/dbraw/zinc/50/27/26/1075502726.db2.gz	CQHCTDRSEMYEKX-HNNXBMFYSA-N	1	1	410.478	1.513	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676306226	1075503002	/nfs/dbraw/zinc/50/30/02/1075503002.db2.gz	KSIHSQRPFWKWPD-GUYCJALGSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306226	1075503008	/nfs/dbraw/zinc/50/30/08/1075503008.db2.gz	KSIHSQRPFWKWPD-GUYCJALGSA-N	1	1	412.893	1.666	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)C2=O)c1	ZINC000676306230	1075503549	/nfs/dbraw/zinc/50/35/49/1075503549.db2.gz	KTFPZLKVBSZOFP-MDASCCDHSA-N	1	1	420.510	1.170	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)C2=O)c1	ZINC000676306230	1075503551	/nfs/dbraw/zinc/50/35/51/1075503551.db2.gz	KTFPZLKVBSZOFP-MDASCCDHSA-N	1	1	420.510	1.170	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676307110	1075503888	/nfs/dbraw/zinc/50/38/88/1075503888.db2.gz	NQCVDJSAPKLTDA-JLJPHGGASA-N	1	1	419.444	1.755	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676307110	1075503891	/nfs/dbraw/zinc/50/38/91/1075503891.db2.gz	NQCVDJSAPKLTDA-JLJPHGGASA-N	1	1	419.444	1.755	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676307134	1075503938	/nfs/dbraw/zinc/50/39/38/1075503938.db2.gz	XXNWRLWCIZWLDR-JJRVBVJISA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676307134	1075503942	/nfs/dbraw/zinc/50/39/42/1075503942.db2.gz	XXNWRLWCIZWLDR-JJRVBVJISA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)cc1)[NH+]1CCOCC1	ZINC000509402259	1075504061	/nfs/dbraw/zinc/50/40/61/1075504061.db2.gz	IORTYVMUVZOEOP-UTKZUKDTSA-N	1	1	411.502	1.738	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676306521	1075504418	/nfs/dbraw/zinc/50/44/18/1075504418.db2.gz	VIFQLQNMAHJASO-GGPKGHCWSA-N	1	1	418.538	1.335	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676306521	1075504422	/nfs/dbraw/zinc/50/44/22/1075504422.db2.gz	VIFQLQNMAHJASO-GGPKGHCWSA-N	1	1	418.538	1.335	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1	ZINC000546097161	1075504458	/nfs/dbraw/zinc/50/44/58/1075504458.db2.gz	OWNUVZCUSJXAEW-INIZCTEOSA-N	1	1	423.439	2.507	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@H+]1Cc1ccccc1	ZINC000546097161	1075504460	/nfs/dbraw/zinc/50/44/60/1075504460.db2.gz	OWNUVZCUSJXAEW-INIZCTEOSA-N	1	1	423.439	2.507	20	0		HDADMO
CC(C)[C@@H](CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C)N1CC[NH+](C)CC1	ZINC000731756258	1075512263	/nfs/dbraw/zinc/51/22/63/1075512263.db2.gz	GXDNBAXBRUFSRZ-QZTJIDSGSA-N	1	1	411.591	1.909	20	0		HDADMO
CC(C)[C@@H](CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)N1CC[NH+](C)CC1	ZINC000731756262	1075512278	/nfs/dbraw/zinc/51/22/78/1075512278.db2.gz	GXDNBAXBRUFSRZ-ZWKOTPCHSA-N	1	1	411.591	1.909	20	0		HDADMO
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N2CCOC2=O)cc1	ZINC000731759439	1075513895	/nfs/dbraw/zinc/51/38/95/1075513895.db2.gz	NXNVOIJAELRONL-OAHLLOKOSA-N	1	1	417.510	1.556	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2nc(Cc3ccccc3)no2)CC1	ZINC000731759964	1075514582	/nfs/dbraw/zinc/51/45/82/1075514582.db2.gz	UMHACDFAQOYYKK-UHFFFAOYSA-N	1	1	400.483	1.012	20	0		HDADMO
CCOC(=O)/C=C\c1ccc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1	ZINC000731761740	1075516783	/nfs/dbraw/zinc/51/67/83/1075516783.db2.gz	BDHSBSOWVSFQKG-YFHOEESVSA-N	1	1	402.495	1.937	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000731762704	1075517027	/nfs/dbraw/zinc/51/70/27/1075517027.db2.gz	YTBPWICWPVKVPJ-UHFFFAOYSA-N	1	1	400.483	1.029	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCCCOc2ccccc2F)CC1	ZINC000676343411	1075517412	/nfs/dbraw/zinc/51/74/12/1075517412.db2.gz	PCKIGOUAQDSJLL-UHFFFAOYSA-N	1	1	405.474	1.907	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676346652	1075519907	/nfs/dbraw/zinc/51/99/07/1075519907.db2.gz	DFOKLEPEXKXLQX-SLEUVZQESA-N	1	1	423.457	1.208	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676346652	1075519910	/nfs/dbraw/zinc/51/99/10/1075519910.db2.gz	DFOKLEPEXKXLQX-SLEUVZQESA-N	1	1	423.457	1.208	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676346651	1075519979	/nfs/dbraw/zinc/51/99/79/1075519979.db2.gz	DFOKLEPEXKXLQX-HUBLWGQQSA-N	1	1	423.457	1.208	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676346651	1075519987	/nfs/dbraw/zinc/51/99/87/1075519987.db2.gz	DFOKLEPEXKXLQX-HUBLWGQQSA-N	1	1	423.457	1.208	20	0		HDADMO
C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676332208	1075521282	/nfs/dbraw/zinc/52/12/82/1075521282.db2.gz	JLDHWWSXOHOSQR-DQLDELGASA-N	1	1	421.497	1.729	20	0		HDADMO
C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332208	1075521286	/nfs/dbraw/zinc/52/12/86/1075521286.db2.gz	JLDHWWSXOHOSQR-DQLDELGASA-N	1	1	421.497	1.729	20	0		HDADMO
C[C@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676332086	1075521592	/nfs/dbraw/zinc/52/15/92/1075521592.db2.gz	BDGBXASKJVZEAB-LPHOPBHVSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332086	1075521595	/nfs/dbraw/zinc/52/15/95/1075521595.db2.gz	BDGBXASKJVZEAB-LPHOPBHVSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676331789	1075521678	/nfs/dbraw/zinc/52/16/78/1075521678.db2.gz	AZZIOZHSPCRIDU-PGUXBMHVSA-N	1	1	424.295	1.269	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676331789	1075521681	/nfs/dbraw/zinc/52/16/81/1075521681.db2.gz	AZZIOZHSPCRIDU-PGUXBMHVSA-N	1	1	424.295	1.269	20	0		HDADMO
CC(=O)N1c2ccc(S(=O)(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2C[C@H]1C	ZINC000429427758	1075521958	/nfs/dbraw/zinc/52/19/58/1075521958.db2.gz	SIIUKRUXJSQJCJ-NVXWUHKLSA-N	1	1	407.536	1.327	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676333089	1075522191	/nfs/dbraw/zinc/52/21/91/1075522191.db2.gz	KBSVOZKEFUJKQR-LKFCYVNXSA-N	1	1	400.262	1.425	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676333089	1075522197	/nfs/dbraw/zinc/52/21/97/1075522197.db2.gz	KBSVOZKEFUJKQR-LKFCYVNXSA-N	1	1	400.262	1.425	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1	ZINC000731826619	1075524959	/nfs/dbraw/zinc/52/49/59/1075524959.db2.gz	GJVGLTLVLVEDQK-CYBMUJFWSA-N	1	1	408.549	1.453	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)CC1	ZINC000731827318	1075525304	/nfs/dbraw/zinc/52/53/04/1075525304.db2.gz	XHSOMVLTUISGIH-HNNXBMFYSA-N	1	1	408.458	1.230	20	0		HDADMO
COc1nc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ncc1Br	ZINC000566383680	1075525418	/nfs/dbraw/zinc/52/54/18/1075525418.db2.gz	WRVOUYSQTHINNH-UHFFFAOYSA-N	1	1	420.311	2.247	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1	ZINC000676388609	1075534750	/nfs/dbraw/zinc/53/47/50/1075534750.db2.gz	PMWWKBQWGWZLIK-QZTJIDSGSA-N	1	1	424.339	1.950	20	0		HDADMO
CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NCCCNc2ccc(C)c[nH+]2)s1	ZINC000569274237	1075547538	/nfs/dbraw/zinc/54/75/38/1075547538.db2.gz	FYUWFWHPEBBBLP-KBPBESRZSA-N	1	1	419.555	2.568	20	0		HDADMO
CC(C)(C)C[N@@H+](CCO)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000731843207	1075547729	/nfs/dbraw/zinc/54/77/29/1075547729.db2.gz	MIVFZVDDVNANKK-UHFFFAOYSA-N	1	1	410.540	1.436	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000731885101	1075555094	/nfs/dbraw/zinc/55/50/94/1075555094.db2.gz	JWCFORPASMYLPA-UHFFFAOYSA-N	1	1	407.458	1.690	20	0		HDADMO
CN1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1	ZINC000676451562	1075558372	/nfs/dbraw/zinc/55/83/72/1075558372.db2.gz	FTBJNDBWOIORIM-OALUTQOASA-N	1	1	410.522	1.479	20	0		HDADMO
CN1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000676451562	1075558374	/nfs/dbraw/zinc/55/83/74/1075558374.db2.gz	FTBJNDBWOIORIM-OALUTQOASA-N	1	1	410.522	1.479	20	0		HDADMO
CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C2	ZINC000466732121	1075567420	/nfs/dbraw/zinc/56/74/20/1075567420.db2.gz	XWRAJOIWSILIAJ-CKJXQJPGSA-N	1	1	408.543	1.480	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1nc2ccccc2s1	ZINC000804163890	1075567799	/nfs/dbraw/zinc/56/77/99/1075567799.db2.gz	FGWBXYHPQOYRFU-OAHLLOKOSA-N	1	1	403.552	1.569	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)c1nc2ccccc2s1	ZINC000804164793	1075568307	/nfs/dbraw/zinc/56/83/07/1075568307.db2.gz	LVTOCLFWGYUOMX-AWEZNQCLSA-N	1	1	404.536	1.779	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)CCO2	ZINC000676505162	1075571353	/nfs/dbraw/zinc/57/13/53/1075571353.db2.gz	OQPNAJWXHOWHPQ-LJQANCHMSA-N	1	1	418.538	1.121	20	0		HDADMO
CCN(CCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)OC(C)(C)C	ZINC000804257248	1075572119	/nfs/dbraw/zinc/57/21/19/1075572119.db2.gz	VBYCGBIUKBXUCG-UHFFFAOYSA-N	1	1	410.559	1.837	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCCOc1ccccc1F	ZINC000731965655	1075578084	/nfs/dbraw/zinc/57/80/84/1075578084.db2.gz	OVNVGNZPIXSFLA-IBGZPJMESA-N	1	1	407.486	1.424	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1)C1CC1	ZINC000804221563	1075578015	/nfs/dbraw/zinc/57/80/15/1075578015.db2.gz	NZGWNOSZBCPFLJ-QGZVFWFLSA-N	1	1	424.339	1.950	20	0		HDADMO
COCCN(C(=O)C[N@H+]1CC[C@@H](CC(C)C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000466733187	1075578613	/nfs/dbraw/zinc/57/86/13/1075578613.db2.gz	QJMALJNAESJYRQ-INIZCTEOSA-N	1	1	423.558	1.535	20	0		HDADMO
CNC(=O)c1cc(Cl)ccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000731971566	1075579601	/nfs/dbraw/zinc/57/96/01/1075579601.db2.gz	ZSSAVAPJEDCWHD-KRWDZBQOSA-N	1	1	422.913	1.351	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)/C=C\c2cncc(C(=O)NC)c2)CC1	ZINC000731971440	1075580073	/nfs/dbraw/zinc/58/00/73/1075580073.db2.gz	AZOVVOYGDHXKHU-HJWRWDBZSA-N	1	1	421.545	1.908	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1nc2ccccc2s1	ZINC000804166275	1075580413	/nfs/dbraw/zinc/58/04/13/1075580413.db2.gz	ZIJMGUFGVREXFP-CYBMUJFWSA-N	1	1	417.535	1.142	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000731980132	1075582651	/nfs/dbraw/zinc/58/26/51/1075582651.db2.gz	GWKRBEQZTOPLAN-GOSISDBHSA-N	1	1	418.494	1.541	20	0		HDADMO
Cc1ccc(OC[C@H](C)NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000731981467	1075583000	/nfs/dbraw/zinc/58/30/00/1075583000.db2.gz	ANDMDIPKHWZNJX-ICSRJNTNSA-N	1	1	403.523	1.592	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)/C=C/c3cncc(C(=O)NC)c3)cc2)CC1	ZINC000731982870	1075583609	/nfs/dbraw/zinc/58/36/09/1075583609.db2.gz	ZRRGXWOWDUZOAD-RUDMXATFSA-N	1	1	421.501	1.871	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1F	ZINC000731987133	1075586819	/nfs/dbraw/zinc/58/68/19/1075586819.db2.gz	RZIIMFXLMWHDMY-QGZVFWFLSA-N	1	1	422.457	1.656	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676555787	1075589196	/nfs/dbraw/zinc/58/91/96/1075589196.db2.gz	BBOKFLKZAXOZCF-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676555787	1075589199	/nfs/dbraw/zinc/58/91/99/1075589199.db2.gz	BBOKFLKZAXOZCF-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cnn(Cc2ccccn2)c1	ZINC000676544896	1075590948	/nfs/dbraw/zinc/59/09/48/1075590948.db2.gz	UGMUGSZUYIRBPT-GOSISDBHSA-N	1	1	408.462	1.811	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n(C2CCOCC2)n1	ZINC000676546428	1075590968	/nfs/dbraw/zinc/59/09/68/1075590968.db2.gz	FJAXGDMBDUXSOT-SFHVURJKSA-N	1	1	419.526	1.195	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cc3ccc(Br)cn3n2)CC1	ZINC000482172736	1075591112	/nfs/dbraw/zinc/59/11/12/1075591112.db2.gz	ZNXFRHAONNJKLC-UHFFFAOYSA-N	1	1	423.315	1.725	20	0		HDADMO
O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(Cc2ccccn2)c1	ZINC000676545633	1075592365	/nfs/dbraw/zinc/59/23/65/1075592365.db2.gz	PZZWZHJNBAMDHR-UHFFFAOYSA-N	1	1	404.474	1.439	20	0		HDADMO
O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(Cc2ccccn2)c1	ZINC000676545633	1075592368	/nfs/dbraw/zinc/59/23/68/1075592368.db2.gz	PZZWZHJNBAMDHR-UHFFFAOYSA-N	1	1	404.474	1.439	20	0		HDADMO
CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC000732060869	1075597946	/nfs/dbraw/zinc/59/79/46/1075597946.db2.gz	VQLVIAZTXZUGAV-IUQNVBDQSA-N	1	1	411.593	1.766	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1	ZINC000732061227	1075598729	/nfs/dbraw/zinc/59/87/29/1075598729.db2.gz	FEACNXBUFPXMGT-JTGQJZMRSA-N	1	1	408.502	1.992	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1	ZINC000732061227	1075598733	/nfs/dbraw/zinc/59/87/33/1075598733.db2.gz	FEACNXBUFPXMGT-JTGQJZMRSA-N	1	1	408.502	1.992	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc2)CC1	ZINC000732064496	1075599957	/nfs/dbraw/zinc/59/99/57/1075599957.db2.gz	QHYNLWOTSACGOX-UHFFFAOYSA-N	1	1	416.400	1.691	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C1	ZINC000438322476	1075602419	/nfs/dbraw/zinc/60/24/19/1075602419.db2.gz	OETLQNPAPZTFFI-WOJBJXKFSA-N	1	1	418.586	2.334	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1nc2ccccc2s1	ZINC000804173022	1075602519	/nfs/dbraw/zinc/60/25/19/1075602519.db2.gz	XUQJTLBYRIRTES-KBPBESRZSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1nc2ccccc2s1	ZINC000804173022	1075602523	/nfs/dbraw/zinc/60/25/23/1075602523.db2.gz	XUQJTLBYRIRTES-KBPBESRZSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1nc2ccccc2s1	ZINC000804173028	1075602535	/nfs/dbraw/zinc/60/25/35/1075602535.db2.gz	XUQJTLBYRIRTES-ZIAGYGMSSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1nc2ccccc2s1	ZINC000804173028	1075602539	/nfs/dbraw/zinc/60/25/39/1075602539.db2.gz	XUQJTLBYRIRTES-ZIAGYGMSSA-N	1	1	404.536	1.777	20	0		HDADMO
CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(=O)OC(C)(C)C	ZINC000804179230	1075610008	/nfs/dbraw/zinc/61/00/08/1075610008.db2.gz	ASJORJGRGLHDKY-SJORKVTESA-N	1	1	404.511	1.531	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000804180738	1075611530	/nfs/dbraw/zinc/61/15/30/1075611530.db2.gz	UANFUYDPVIEXKL-HZPDHXFCSA-N	1	1	410.559	1.739	20	0		HDADMO
C/C(=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1cccc(F)c1	ZINC000732078446	1075617289	/nfs/dbraw/zinc/61/72/89/1075617289.db2.gz	FSOGKJHNFKPBHM-OBGWFSINSA-N	1	1	416.541	1.926	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C1	ZINC000676618815	1075618806	/nfs/dbraw/zinc/61/88/06/1075618806.db2.gz	YSACQZYIWLFMSB-GFCCVEGCSA-N	1	1	422.436	1.074	20	0		HDADMO
CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CN3CCN(C)CC3)c2C1	ZINC000429456661	1075624555	/nfs/dbraw/zinc/62/45/55/1075624555.db2.gz	RVQWSFNUVKPPDZ-MSOLQXFVSA-N	1	1	415.582	1.737	20	0		HDADMO
CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CN3CCN(C)CC3)c2C1	ZINC000429456661	1075624557	/nfs/dbraw/zinc/62/45/57/1075624557.db2.gz	RVQWSFNUVKPPDZ-MSOLQXFVSA-N	1	1	415.582	1.737	20	0		HDADMO
C[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C[C@H](O)C1CC1	ZINC000676633281	1075625772	/nfs/dbraw/zinc/62/57/72/1075625772.db2.gz	WIDDINAAPHDBQU-SFHVURJKSA-N	1	1	409.552	1.180	20	0		HDADMO
CN(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(OCC[NH+](C)C)cc1	ZINC000732135018	1075635912	/nfs/dbraw/zinc/63/59/12/1075635912.db2.gz	LSWOMQANOVFREE-UHFFFAOYSA-N	1	1	422.485	1.861	20	0		HDADMO
O=C(Cc1cccc(OC(F)(F)F)c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676640320	1075635957	/nfs/dbraw/zinc/63/59/57/1075635957.db2.gz	CFSCYKWDTNWIKP-INIZCTEOSA-N	1	1	401.429	1.650	20	0		HDADMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc4c(cc3OC(F)F)OCO4)[C@H]2C1	ZINC000676669342	1075638012	/nfs/dbraw/zinc/63/80/12/1075638012.db2.gz	SIHBSKFPOIRIQP-YPMHNXCESA-N	1	1	411.405	1.186	20	0		HDADMO
CN(Cc1ccccc1Br)C(=O)CCNC(=O)CC[NH+]1CCOCC1	ZINC000732135671	1075645310	/nfs/dbraw/zinc/64/53/10/1075645310.db2.gz	JXBQMOJYYSCXLG-UHFFFAOYSA-N	1	1	412.328	1.636	20	0		HDADMO
C[C@@H]1COCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000676714542	1075657869	/nfs/dbraw/zinc/65/78/69/1075657869.db2.gz	VXOQRLRHJYHAAD-CYBMUJFWSA-N	1	1	421.972	1.345	20	0		HDADMO
CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000676725799	1075661904	/nfs/dbraw/zinc/66/19/04/1075661904.db2.gz	YUZFRPWPPAAJAM-AWEZNQCLSA-N	1	1	402.465	1.749	20	0		HDADMO
CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000676725799	1075661908	/nfs/dbraw/zinc/66/19/08/1075661908.db2.gz	YUZFRPWPPAAJAM-AWEZNQCLSA-N	1	1	402.465	1.749	20	0		HDADMO
CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O	ZINC000676734187	1075665435	/nfs/dbraw/zinc/66/54/35/1075665435.db2.gz	ZEZZRYLVYPFYIH-HNNXBMFYSA-N	1	1	404.467	1.452	20	0		HDADMO
CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O	ZINC000676734187	1075665436	/nfs/dbraw/zinc/66/54/36/1075665436.db2.gz	ZEZZRYLVYPFYIH-HNNXBMFYSA-N	1	1	404.467	1.452	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NCc2cccc(OC(F)F)c2)C1	ZINC000443443314	1075667360	/nfs/dbraw/zinc/66/73/60/1075667360.db2.gz	MROTYKPFNJAXQC-CQSZACIVSA-N	1	1	422.436	1.782	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NCc2cccc(OC(F)F)c2)C1	ZINC000443443314	1075667363	/nfs/dbraw/zinc/66/73/63/1075667363.db2.gz	MROTYKPFNJAXQC-CQSZACIVSA-N	1	1	422.436	1.782	20	0		HDADMO
COCc1ncc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)c(N)n1	ZINC000498871534	1075674091	/nfs/dbraw/zinc/67/40/91/1075674091.db2.gz	JMUMCVRLGCBWEG-MRXNPFEDSA-N	1	1	412.494	1.624	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2nc(N)ns2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000498719320	1075676148	/nfs/dbraw/zinc/67/61/48/1075676148.db2.gz	UWXFBIXRGIPGLJ-NVXWUHKLSA-N	1	1	415.567	1.863	20	0		HDADMO
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000509434274	1075676517	/nfs/dbraw/zinc/67/65/17/1075676517.db2.gz	RODLYNCEIXUFIT-OAQYLSRUSA-N	1	1	411.502	1.220	20	0		HDADMO
COc1cccc(C[N@H+]2CC3(CN(C(=O)OC(C)(C)C)C3)[C@]3(CCNC3=O)C2)n1	ZINC001137528462	1075681654	/nfs/dbraw/zinc/68/16/54/1075681654.db2.gz	GJLRXWPBFXOEQJ-OAQYLSRUSA-N	1	1	402.495	1.649	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001062276011	1075684511	/nfs/dbraw/zinc/68/45/11/1075684511.db2.gz	RDGHYUMWXAUZDR-KKEPMVJESA-N	1	1	400.523	1.892	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000804216237	1075690641	/nfs/dbraw/zinc/69/06/41/1075690641.db2.gz	DJIHMQQATFCPTE-IAGOWNOFSA-N	1	1	412.575	1.938	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1	ZINC000509435345	1075691115	/nfs/dbraw/zinc/69/11/15/1075691115.db2.gz	JPCKLFNYDBNTSI-UXHICEINSA-N	1	1	415.582	1.411	20	0		HDADMO
O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000029072795	1075691637	/nfs/dbraw/zinc/69/16/37/1075691637.db2.gz	HBEMSYOXLQVLBP-UHFFFAOYSA-N	1	1	406.486	1.935	20	0		HDADMO
C[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCCC1	ZINC000029166927	1075692435	/nfs/dbraw/zinc/69/24/35/1075692435.db2.gz	MBQUHEKVSCOKNF-UHFFFAOYSA-N	1	1	423.579	1.978	20	0		HDADMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H](C)O1	ZINC000531575424	1075699753	/nfs/dbraw/zinc/69/97/53/1075699753.db2.gz	NKBFFFYIEYQILP-CALCHBBNSA-N	1	1	413.522	1.874	20	0		HDADMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H](C)O1	ZINC000531575424	1075699754	/nfs/dbraw/zinc/69/97/54/1075699754.db2.gz	NKBFFFYIEYQILP-CALCHBBNSA-N	1	1	413.522	1.874	20	0		HDADMO
COc1cc2[nH+]c(NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)nc(N)c2cc1OC	ZINC000521080463	1075702657	/nfs/dbraw/zinc/70/26/57/1075702657.db2.gz	UWJPKQXTTLDUCO-NRFANRHFSA-N	1	1	422.445	1.318	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)OC(C)(C)C1	ZINC000509438718	1075716491	/nfs/dbraw/zinc/71/64/91/1075716491.db2.gz	NPLUEECESUODII-ZWKOTPCHSA-N	1	1	402.539	1.339	20	0		HDADMO
C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426155104	1075717965	/nfs/dbraw/zinc/71/79/65/1075717965.db2.gz	VTDNGNJYPHOXOQ-VXGBXAGGSA-N	1	1	409.416	1.681	20	0		HDADMO
C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426155104	1075717972	/nfs/dbraw/zinc/71/79/72/1075717972.db2.gz	VTDNGNJYPHOXOQ-VXGBXAGGSA-N	1	1	409.416	1.681	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@@H](C)c1cnn(C)c1	ZINC000509441356	1075722611	/nfs/dbraw/zinc/72/26/11/1075722611.db2.gz	VSYZPDMKOJJZAQ-ROUUACIJSA-N	1	1	412.538	1.266	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCc1nccs1	ZINC000509441047	1075723708	/nfs/dbraw/zinc/72/37/08/1075723708.db2.gz	ULJXJSLTVAHWMS-KRWDZBQOSA-N	1	1	415.563	1.471	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1	ZINC000490373574	1075723734	/nfs/dbraw/zinc/72/37/34/1075723734.db2.gz	OBWJFHBACPZDKN-UHFFFAOYSA-N	1	1	418.929	1.606	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC1CCOCC1	ZINC000509442088	1075727720	/nfs/dbraw/zinc/72/77/20/1075727720.db2.gz	MUDFZYXGQYUMOJ-IBGZPJMESA-N	1	1	416.566	1.588	20	0		HDADMO
CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCCNc3ccc(C)c[nH+]3)ccc21	ZINC000531250366	1075727984	/nfs/dbraw/zinc/72/79/84/1075727984.db2.gz	RPMSRQRNMMXWSM-UHFFFAOYSA-N	1	1	409.490	1.647	20	0		HDADMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@@H]2C1	ZINC000509258845	1075729070	/nfs/dbraw/zinc/72/90/70/1075729070.db2.gz	POHXPVIOYXIMJD-BZUAXINKSA-N	1	1	412.581	1.494	20	0		HDADMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)CC1	ZINC000429474640	1075735407	/nfs/dbraw/zinc/73/54/07/1075735407.db2.gz	XKNTVGNKAUOIBU-SJLPKXTDSA-N	1	1	416.522	1.070	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(CCCO)CC1	ZINC000509442532	1075737179	/nfs/dbraw/zinc/73/71/79/1075737179.db2.gz	QIUOKSKKJSZOIL-IBGZPJMESA-N	1	1	416.566	1.324	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(Cc2cccs2)CC1	ZINC000732412021	1075738115	/nfs/dbraw/zinc/73/81/15/1075738115.db2.gz	AYVULHUJYZAHNT-SFHVURJKSA-N	1	1	404.580	1.869	20	0		HDADMO
NC(=O)CCN(C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)c1ccc(F)cc1	ZINC000732413164	1075738748	/nfs/dbraw/zinc/73/87/48/1075738748.db2.gz	PNEKEUOBPUTLMI-GOSISDBHSA-N	1	1	404.486	1.511	20	0		HDADMO
NC(=O)CCN(C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)c1ccc(F)cc1	ZINC000732413164	1075738753	/nfs/dbraw/zinc/73/87/53/1075738753.db2.gz	PNEKEUOBPUTLMI-GOSISDBHSA-N	1	1	404.486	1.511	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509443211	1075739114	/nfs/dbraw/zinc/73/91/14/1075739114.db2.gz	YFLXZNZVZZYUGD-QUCCMNQESA-N	1	1	402.539	1.341	20	0		HDADMO
COCCC1(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC1	ZINC000509443287	1075739526	/nfs/dbraw/zinc/73/95/26/1075739526.db2.gz	YVFGDPVFTXGSJF-IBGZPJMESA-N	1	1	416.566	1.636	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@@H](Cc3ccc(F)cc3)C2=O)C1	ZINC000466640815	1075740712	/nfs/dbraw/zinc/74/07/12/1075740712.db2.gz	HNPOKXNDNMRGPL-IEBWSBKVSA-N	1	1	419.497	1.216	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)CC2)oc1C	ZINC000429477782	1075743305	/nfs/dbraw/zinc/74/33/05/1075743305.db2.gz	QXSBYNQWBQCVBT-MORSLUCNSA-N	1	1	403.527	1.812	20	0		HDADMO
COC(=O)N1CCN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC1	ZINC000732431740	1075743597	/nfs/dbraw/zinc/74/35/97/1075743597.db2.gz	DJKMIRFNPYJIBP-UHFFFAOYSA-N	1	1	415.494	1.889	20	0		HDADMO
COc1ccc(C(=O)CC[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000509259453	1075746234	/nfs/dbraw/zinc/74/62/34/1075746234.db2.gz	GKKCRLGGNFGGHG-UHFFFAOYSA-N	1	1	403.504	1.738	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCCNc2ccc(C)c[nH+]2)cc1	ZINC000581454302	1075747069	/nfs/dbraw/zinc/74/70/69/1075747069.db2.gz	ZWCVLXQRMZEGMM-UHFFFAOYSA-N	1	1	418.519	1.879	20	0		HDADMO
C[NH+]1CCN([C@H](C(=O)NCCN2CCc3ccccc3C2=O)c2ccccc2)CC1	ZINC000466640214	1075748644	/nfs/dbraw/zinc/74/86/44/1075748644.db2.gz	LAQWPMNZWPSMMA-QFIPXVFZSA-N	1	1	406.530	1.790	20	0		HDADMO
CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000429268793	1075754015	/nfs/dbraw/zinc/75/40/15/1075754015.db2.gz	DGALUMBTNOXCFS-NHCUHLMSSA-N	1	1	411.502	1.963	20	0		HDADMO
CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000429268793	1075754019	/nfs/dbraw/zinc/75/40/19/1075754019.db2.gz	DGALUMBTNOXCFS-NHCUHLMSSA-N	1	1	411.502	1.963	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1	ZINC000521417087	1075762724	/nfs/dbraw/zinc/76/27/24/1075762724.db2.gz	UBCHOZABSHGBPU-AWEZNQCLSA-N	1	1	407.522	1.819	20	0		HDADMO
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C3)CC[N@H+]1C	ZINC001005839811	1075762881	/nfs/dbraw/zinc/76/28/81/1075762881.db2.gz	MFZCAONVGCZXBE-HHARLNAUSA-N	1	1	401.555	1.920	20	0		HDADMO
Ic1ccc2ncnc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2c1	ZINC000462827079	1075767741	/nfs/dbraw/zinc/76/77/41/1075767741.db2.gz	NYTJQFDSCCHOTO-CYBMUJFWSA-N	1	1	410.259	2.510	20	0		HDADMO
Ic1ccc2ncnc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c2c1	ZINC000462827079	1075767745	/nfs/dbraw/zinc/76/77/45/1075767745.db2.gz	NYTJQFDSCCHOTO-CYBMUJFWSA-N	1	1	410.259	2.510	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000472307321	1075768189	/nfs/dbraw/zinc/76/81/89/1075768189.db2.gz	YHXCEAUIVLXYTM-INIZCTEOSA-N	1	1	401.540	1.474	20	0		HDADMO
CN1CC[NH+](Cc2ccc(NC(=O)COCCNC(=O)OC(C)(C)C)cc2)CC1	ZINC000732552228	1075783980	/nfs/dbraw/zinc/78/39/80/1075783980.db2.gz	MTZONGZHEHNGFQ-UHFFFAOYSA-N	1	1	406.527	1.914	20	0		HDADMO
CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558566	1075786039	/nfs/dbraw/zinc/78/60/39/1075786039.db2.gz	BRQMOSSTDGVUPO-AQDCRGGLSA-N	1	1	420.579	1.698	20	0		HDADMO
CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558566	1075786043	/nfs/dbraw/zinc/78/60/43/1075786043.db2.gz	BRQMOSSTDGVUPO-AQDCRGGLSA-N	1	1	420.579	1.698	20	0		HDADMO
C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1	ZINC000645303294	1075789530	/nfs/dbraw/zinc/78/95/30/1075789530.db2.gz	MZRCUBCGXFAIJM-CYBMUJFWSA-N	1	1	406.284	1.784	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565384	1075789693	/nfs/dbraw/zinc/78/96/93/1075789693.db2.gz	XYFHFYRHOVGCFO-DVNWRSDPSA-N	1	1	408.612	1.871	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565384	1075789698	/nfs/dbraw/zinc/78/96/98/1075789698.db2.gz	XYFHFYRHOVGCFO-DVNWRSDPSA-N	1	1	408.612	1.871	20	0		HDADMO
CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565110	1075789812	/nfs/dbraw/zinc/78/98/12/1075789812.db2.gz	VRSHRKBHGPXWKI-MAUKXSAKSA-N	1	1	417.476	1.187	20	0		HDADMO
CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565110	1075789817	/nfs/dbraw/zinc/78/98/17/1075789817.db2.gz	VRSHRKBHGPXWKI-MAUKXSAKSA-N	1	1	417.476	1.187	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1	ZINC000434075969	1075789805	/nfs/dbraw/zinc/78/98/05/1075789805.db2.gz	DYMAJCJVPOUAJD-MRXNPFEDSA-N	1	1	401.442	2.251	20	0		HDADMO
CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732564526	1075789960	/nfs/dbraw/zinc/78/99/60/1075789960.db2.gz	QASLIMGXFZRIOA-HNNXBMFYSA-N	1	1	400.445	1.494	20	0		HDADMO
CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732564526	1075789963	/nfs/dbraw/zinc/78/99/63/1075789963.db2.gz	QASLIMGXFZRIOA-HNNXBMFYSA-N	1	1	400.445	1.494	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1	ZINC000527080103	1075790372	/nfs/dbraw/zinc/79/03/72/1075790372.db2.gz	RPYYUXREYLJEIC-GFCCVEGCSA-N	1	1	410.400	1.683	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1	ZINC000448507139	1075790800	/nfs/dbraw/zinc/79/08/00/1075790800.db2.gz	DOLXUYQAESSZSR-UKRRQHHQSA-N	1	1	409.412	2.336	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C(=O)Nc1ccccc1	ZINC000732594530	1075792229	/nfs/dbraw/zinc/79/22/29/1075792229.db2.gz	XXZXMAKTWQHPSA-KRWDZBQOSA-N	1	1	423.517	1.910	20	0		HDADMO
C[NH+]1CCN([C@@H](c2nc(-c3cnc(NCC(F)F)cn3)no2)c2ccccc2)CC1	ZINC000555018217	1075793025	/nfs/dbraw/zinc/79/30/25/1075793025.db2.gz	IFHRHBAPGSYYMK-GOSISDBHSA-N	1	1	415.448	2.540	20	0		HDADMO
CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1	ZINC001129306803	1075799506	/nfs/dbraw/zinc/79/95/06/1075799506.db2.gz	CAORARGBMSYGDE-CVEARBPZSA-N	1	1	401.477	1.988	20	0		HDADMO
CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1	ZINC001129306803	1075799512	/nfs/dbraw/zinc/79/95/12/1075799512.db2.gz	CAORARGBMSYGDE-CVEARBPZSA-N	1	1	401.477	1.988	20	0		HDADMO
O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCC2CCCC2)CC1)N1CCOCC1	ZINC000487984383	1075805714	/nfs/dbraw/zinc/80/57/14/1075805714.db2.gz	BJZHXPLYHSJSTN-OAQYLSRUSA-N	1	1	420.598	1.424	20	0		HDADMO
CCN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C	ZINC000804254189	1075806896	/nfs/dbraw/zinc/80/68/96/1075806896.db2.gz	ASBXEHKTLFDMDY-FUHWJXTLSA-N	1	1	422.570	1.835	20	0		HDADMO
C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000556203869	1075814720	/nfs/dbraw/zinc/81/47/20/1075814720.db2.gz	CXAYADMYQCKXOQ-DZGCQCFKSA-N	1	1	415.460	1.960	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611038052	1075818183	/nfs/dbraw/zinc/81/81/83/1075818183.db2.gz	IRMZDRXNAPEQTK-MSOLQXFVSA-N	1	1	403.527	1.569	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000611037598	1075818632	/nfs/dbraw/zinc/81/86/32/1075818632.db2.gz	XYIVFSWZSSPKDU-QGZVFWFLSA-N	1	1	405.495	1.619	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1	ZINC000732658867	1075819066	/nfs/dbraw/zinc/81/90/66/1075819066.db2.gz	CYFGFPMCVRMKIY-QZTJIDSGSA-N	1	1	406.433	1.399	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	ZINC000732659531	1075819202	/nfs/dbraw/zinc/81/92/02/1075819202.db2.gz	SCLCVLRQLIIMAI-MSOLQXFVSA-N	1	1	408.449	1.517	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C1	ZINC000611043332	1075819920	/nfs/dbraw/zinc/81/99/20/1075819920.db2.gz	COYSKXXRXVLJQX-IPMKNSEASA-N	1	1	407.555	1.901	20	0		HDADMO
CC[N@H+]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)C[C@H]1C	ZINC000611088281	1075827623	/nfs/dbraw/zinc/82/76/23/1075827623.db2.gz	NPYDGSOOAYXQJG-ZBFHGGJFSA-N	1	1	417.572	1.778	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1	ZINC000611102630	1075835178	/nfs/dbraw/zinc/83/51/78/1075835178.db2.gz	VYLWMIMRYXWAAW-HOCLYGCPSA-N	1	1	413.478	1.505	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(COc3ccccc3F)on2)CC1	ZINC000466656940	1075851183	/nfs/dbraw/zinc/85/11/83/1075851183.db2.gz	XTRYOEOTTBHGKW-UHFFFAOYSA-N	1	1	404.442	1.629	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC1	ZINC000611157137	1075860038	/nfs/dbraw/zinc/86/00/38/1075860038.db2.gz	UBJFBXOTFPUFKZ-MUUNZHRXSA-N	1	1	410.536	1.261	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(I)c(F)c2)CC1	ZINC000611165942	1075865274	/nfs/dbraw/zinc/86/52/74/1075865274.db2.gz	LOQOIQBDIOYQPE-UHFFFAOYSA-N	1	1	406.239	1.959	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)CC1	ZINC000732782295	1075866203	/nfs/dbraw/zinc/86/62/03/1075866203.db2.gz	WTAGAOUFWWMDBS-HNNXBMFYSA-N	1	1	406.914	1.350	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)CC1	ZINC000732782295	1075866211	/nfs/dbraw/zinc/86/62/11/1075866211.db2.gz	WTAGAOUFWWMDBS-HNNXBMFYSA-N	1	1	406.914	1.350	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1	ZINC000732781730	1075866959	/nfs/dbraw/zinc/86/69/59/1075866959.db2.gz	SLRPEMKNGYMAAD-VQTJNVASSA-N	1	1	410.562	1.813	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1	ZINC000732781730	1075866963	/nfs/dbraw/zinc/86/69/63/1075866963.db2.gz	SLRPEMKNGYMAAD-VQTJNVASSA-N	1	1	410.562	1.813	20	0		HDADMO
COC(=O)C1(NC(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCCCC1	ZINC000611180935	1075868243	/nfs/dbraw/zinc/86/82/43/1075868243.db2.gz	KEFPPCILGIKBAU-UHFFFAOYSA-N	1	1	408.587	1.469	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732812941	1075875041	/nfs/dbraw/zinc/87/50/41/1075875041.db2.gz	FQAJADVYAQOMMU-HOCLYGCPSA-N	1	1	403.401	1.480	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ncccc2I)CC1	ZINC000611242511	1075882151	/nfs/dbraw/zinc/88/21/51/1075882151.db2.gz	KWAHIFWCWPJODL-CYBMUJFWSA-N	1	1	400.264	1.605	20	0		HDADMO
CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCC[NH+]1CCSCC1	ZINC000732892119	1075894745	/nfs/dbraw/zinc/89/47/45/1075894745.db2.gz	RTSPZSXGXDNXDS-UHFFFAOYSA-N	1	1	415.604	1.229	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611323956	1075901139	/nfs/dbraw/zinc/90/11/39/1075901139.db2.gz	YMKKMPGWUCPEGM-QGZVFWFLSA-N	1	1	403.527	1.427	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1	ZINC000611323914	1075901147	/nfs/dbraw/zinc/90/11/47/1075901147.db2.gz	XKIPLIGFKQTYEE-OAHLLOKOSA-N	1	1	407.486	1.945	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1	ZINC000611323914	1075901149	/nfs/dbraw/zinc/90/11/49/1075901149.db2.gz	XKIPLIGFKQTYEE-OAHLLOKOSA-N	1	1	407.486	1.945	20	0		HDADMO
COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000611365610	1075913656	/nfs/dbraw/zinc/91/36/56/1075913656.db2.gz	GETJJIRQTATDJE-KBPBESRZSA-N	1	1	409.508	1.148	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000732917089	1075913680	/nfs/dbraw/zinc/91/36/80/1075913680.db2.gz	XMGUZUNDBCMLRF-SFHVURJKSA-N	1	1	413.526	1.384	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1	ZINC000611373470	1075915997	/nfs/dbraw/zinc/91/59/97/1075915997.db2.gz	LUUTUIYPDPHRBY-ZBFHGGJFSA-N	1	1	410.465	1.822	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1	ZINC000611373470	1075916000	/nfs/dbraw/zinc/91/60/00/1075916000.db2.gz	LUUTUIYPDPHRBY-ZBFHGGJFSA-N	1	1	410.465	1.822	20	0		HDADMO
C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1F	ZINC000611359268	1075917236	/nfs/dbraw/zinc/91/72/36/1075917236.db2.gz	VXAURFNTJJUTPV-OHZJNBGDSA-N	1	1	411.499	1.215	20	0		HDADMO
C[C@@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCC[C@@H](C)C1	ZINC000732998545	1075943982	/nfs/dbraw/zinc/94/39/82/1075943982.db2.gz	MHDWRWINWAFFJQ-KGLIPLIRSA-N	1	1	410.531	1.670	20	0		HDADMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000732999674	1075943990	/nfs/dbraw/zinc/94/39/90/1075943990.db2.gz	YFWVXJDLZJVHOK-OKILXGFUSA-N	1	1	410.531	1.813	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)C2CCS(=O)(=O)CC2)CC1	ZINC000733026347	1075945238	/nfs/dbraw/zinc/94/52/38/1075945238.db2.gz	SFFXFJGFSDHUJH-MRXNPFEDSA-N	1	1	408.520	1.260	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733048841	1075954583	/nfs/dbraw/zinc/95/45/83/1075954583.db2.gz	PQLQEBYNUIQPJR-ZBFHGGJFSA-N	1	1	414.506	1.824	20	0		HDADMO
COC(=O)[C@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)Cc1cccc(C)c1	ZINC000611545904	1075960275	/nfs/dbraw/zinc/96/02/75/1075960275.db2.gz	GXDVASBVTWRJDO-KRWDZBQOSA-N	1	1	421.457	1.662	20	0		HDADMO
O=C(C[NH+]1CCC(NC(=O)c2ccsc2)CC1)NC1CCC2(CC1)OCCO2	ZINC000143888086	1075962100	/nfs/dbraw/zinc/96/21/00/1075962100.db2.gz	FVGYHTOUDKMOIA-UHFFFAOYSA-N	1	1	407.536	1.744	20	0		HDADMO
CC(C)OC(=O)N1CCC(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1	ZINC000733045271	1075965024	/nfs/dbraw/zinc/96/50/24/1075965024.db2.gz	QUKOBVZFKMHCCC-HXUWFJFHSA-N	1	1	418.538	1.714	20	0		HDADMO
Cc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)o1	ZINC001079252217	1075967327	/nfs/dbraw/zinc/96/73/27/1075967327.db2.gz	DXWQNMNNFCJZGM-XWEXYQFDSA-N	1	1	414.506	1.241	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000105175997	1075969850	/nfs/dbraw/zinc/96/98/50/1075969850.db2.gz	ORHTYYUHADQJEX-CQSZACIVSA-N	1	1	419.494	1.106	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733131442	1075980208	/nfs/dbraw/zinc/98/02/08/1075980208.db2.gz	PFCKYEOAZBDQSI-PYCFMQQDSA-N	1	1	421.545	1.996	20	0		HDADMO
CCOc1c(Br)cc(C[N@@H+](CCO)CCN2CCOCC2)cc1OC	ZINC000510210038	1075989800	/nfs/dbraw/zinc/98/98/00/1075989800.db2.gz	JSDNFKUUNNOKNR-UHFFFAOYSA-N	1	1	417.344	1.983	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)c1	ZINC000733157245	1075990246	/nfs/dbraw/zinc/99/02/46/1075990246.db2.gz	WOKPOPLIVCJJSQ-OOFWQKGWSA-N	1	1	413.547	1.621	20	0		HDADMO
O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000733158827	1075991103	/nfs/dbraw/zinc/99/11/03/1075991103.db2.gz	RQNMKKLGRJSZAI-MRXNPFEDSA-N	1	1	412.490	1.018	20	0		HDADMO
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001080640388	1075991128	/nfs/dbraw/zinc/99/11/28/1075991128.db2.gz	AWISXRFJCOOUMS-IYWGDAJJSA-N	1	1	403.567	1.983	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOC[C@@H]2c2nnc(-c3cccs3)o2)C[C@H](C)O1	ZINC000510938482	1075991935	/nfs/dbraw/zinc/99/19/35/1075991935.db2.gz	SHZYPVYXCUZSNW-XUWVNRHRSA-N	1	1	408.524	1.642	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCOC[C@@H]2c2nnc(-c3cccs3)o2)C[C@H](C)O1	ZINC000510938482	1075991940	/nfs/dbraw/zinc/99/19/40/1075991940.db2.gz	SHZYPVYXCUZSNW-XUWVNRHRSA-N	1	1	408.524	1.642	20	0		HDADMO
CS(=O)(=O)c1nc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccn21	ZINC000733158098	1075992181	/nfs/dbraw/zinc/99/21/81/1075992181.db2.gz	CTHJDGJFKJHSKX-OAHLLOKOSA-N	1	1	406.508	1.111	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000733170036	1076000427	/nfs/dbraw/zinc/00/04/27/1076000427.db2.gz	IZIMIRSEVODOQQ-LSDHHAIUSA-N	1	1	408.465	1.540	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	ZINC000733170038	1076000537	/nfs/dbraw/zinc/00/05/37/1076000537.db2.gz	JAMFAPAZUOOMJK-AWEZNQCLSA-N	1	1	421.485	1.984	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001081101484	1076001290	/nfs/dbraw/zinc/00/12/90/1076001290.db2.gz	BROADLFKAKZPRA-NHHWGVFUSA-N	1	1	403.567	1.839	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1	ZINC000733171541	1076001441	/nfs/dbraw/zinc/00/14/41/1076001441.db2.gz	YKJJGNCYKKLIMO-DYVFJYSZSA-N	1	1	422.517	1.981	20	0		HDADMO
COc1ccc([C@H](CO)[N@@H+](C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1	ZINC000733195460	1076002062	/nfs/dbraw/zinc/00/20/62/1076002062.db2.gz	OBQJGCOKPWPYJM-KRWDZBQOSA-N	1	1	418.494	1.336	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H](C)C[N@H+]3CCC[C@@H](C)C3)C2)no1	ZINC000514026186	1076016600	/nfs/dbraw/zinc/01/66/00/1076016600.db2.gz	DNIRPIJILXOWSN-SOLBZPMBSA-N	1	1	420.558	1.885	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959806	1076019848	/nfs/dbraw/zinc/01/98/48/1076019848.db2.gz	YSNLCPLIBIANPF-BBWXRZHPSA-N	1	1	400.475	1.197	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959806	1076019855	/nfs/dbraw/zinc/01/98/55/1076019855.db2.gz	YSNLCPLIBIANPF-BBWXRZHPSA-N	1	1	400.475	1.197	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960717	1076020227	/nfs/dbraw/zinc/02/02/27/1076020227.db2.gz	NYSYVBXZHRMRMJ-XPTOWFBUSA-N	1	1	400.475	1.197	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960717	1076020229	/nfs/dbraw/zinc/02/02/29/1076020229.db2.gz	NYSYVBXZHRMRMJ-XPTOWFBUSA-N	1	1	400.475	1.197	20	0		HDADMO
CO[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081961924	1076020491	/nfs/dbraw/zinc/02/04/91/1076020491.db2.gz	KCUJYWRKTANDNZ-YBRIYBKASA-N	1	1	406.910	1.958	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081961924	1076020497	/nfs/dbraw/zinc/02/04/97/1076020497.db2.gz	KCUJYWRKTANDNZ-YBRIYBKASA-N	1	1	406.910	1.958	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960882	1076020523	/nfs/dbraw/zinc/02/05/23/1076020523.db2.gz	XQQCYEFDOHEHMU-KLDJGDJCSA-N	1	1	414.502	1.239	20	0		HDADMO
COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](OC)C1	ZINC001081960741	1076020621	/nfs/dbraw/zinc/02/06/21/1076020621.db2.gz	PAECXZNXSOOWNK-JGAQBGERSA-N	1	1	400.519	1.867	20	0		HDADMO
CCc1ccc(CCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1	ZINC000516097852	1076028509	/nfs/dbraw/zinc/02/85/09/1076028509.db2.gz	CBSPPBHFWLFPAD-UHFFFAOYSA-N	1	1	424.549	1.026	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)NCCNC(=O)OC(C)(C)C)c2cccs2)CC1	ZINC000727059362	1076035565	/nfs/dbraw/zinc/03/55/65/1076035565.db2.gz	GXYAFSJGJSLQHA-OAHLLOKOSA-N	1	1	411.572	1.861	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1	ZINC000733352589	1076050104	/nfs/dbraw/zinc/05/01/04/1076050104.db2.gz	WAUDRLHDFKUWDC-KRWDZBQOSA-N	1	1	403.593	1.165	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1	ZINC000727131630	1076050401	/nfs/dbraw/zinc/05/04/01/1076050401.db2.gz	IOHQMQQYBJITOC-GOSISDBHSA-N	1	1	404.511	1.579	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](O)c2cc(OC)ccc2OC)CC1=O	ZINC000733359006	1076051549	/nfs/dbraw/zinc/05/15/49/1076051549.db2.gz	VDIIMNNFWIBVLX-GPMSIDNRSA-N	1	1	419.522	1.186	20	0		HDADMO
O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)N1CC[NH+](C2CCC2)CC1	ZINC000733366225	1076054325	/nfs/dbraw/zinc/05/43/25/1076054325.db2.gz	OVIXEODOXUDYMJ-UHFFFAOYSA-N	1	1	406.533	1.608	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1nnnn1Cc1ccccc1	ZINC001082652196	1076061624	/nfs/dbraw/zinc/06/16/24/1076061624.db2.gz	KKRMXCYHOUKPLA-MQHZGVQNSA-N	1	1	408.506	1.081	20	0		HDADMO
CC[N@@H+]1CCc2[nH]c(=NC(=O)c3ccc(CCNS(C)(=O)=O)s3)sc2C1	ZINC000021296298	1076062434	/nfs/dbraw/zinc/06/24/34/1076062434.db2.gz	GMHRKODZQIIKRQ-UHFFFAOYSA-N	1	1	414.578	1.349	20	0		HDADMO
CC[N@H+]1CCc2[nH]c(=NC(=O)c3ccc(CCNS(C)(=O)=O)s3)sc2C1	ZINC000021296298	1076062438	/nfs/dbraw/zinc/06/24/38/1076062438.db2.gz	GMHRKODZQIIKRQ-UHFFFAOYSA-N	1	1	414.578	1.349	20	0		HDADMO
COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1F	ZINC000054994094	1076065599	/nfs/dbraw/zinc/06/55/99/1076065599.db2.gz	GDDVQRVSCXOKLJ-QGZVFWFLSA-N	1	1	407.486	1.364	20	0		HDADMO
CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O	ZINC000727167585	1076067630	/nfs/dbraw/zinc/06/76/30/1076067630.db2.gz	VEYPVHLDOSDPGF-BTYIYWSLSA-N	1	1	402.495	1.787	20	0		HDADMO
CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O	ZINC000727167585	1076067638	/nfs/dbraw/zinc/06/76/38/1076067638.db2.gz	VEYPVHLDOSDPGF-BTYIYWSLSA-N	1	1	402.495	1.787	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000727175293	1076070151	/nfs/dbraw/zinc/07/01/51/1076070151.db2.gz	RNTONNIHNQLYFD-AWEZNQCLSA-N	1	1	417.959	1.821	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000727158251	1076071195	/nfs/dbraw/zinc/07/11/95/1076071195.db2.gz	JWGAIBIMOMAMAB-MGPUTAFESA-N	1	1	414.506	1.835	20	0		HDADMO
CCOC(=O)C1C(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000727158251	1076071204	/nfs/dbraw/zinc/07/12/04/1076071204.db2.gz	JWGAIBIMOMAMAB-MGPUTAFESA-N	1	1	414.506	1.835	20	0		HDADMO
O=C(COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)NC(=O)NC1CC1	ZINC000733530044	1076095606	/nfs/dbraw/zinc/09/56/06/1076095606.db2.gz	HIKVOVYRBNDIRG-SFHVURJKSA-N	1	1	413.396	1.972	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)NC(=O)N[C@@H]1C	ZINC000727385056	1076102694	/nfs/dbraw/zinc/10/26/94/1076102694.db2.gz	XGMXRIIVWORZAU-APWZRJJASA-N	1	1	416.522	1.476	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)o2)CC1	ZINC000733585762	1076115580	/nfs/dbraw/zinc/11/55/80/1076115580.db2.gz	CYHMKFHKVZOCFX-OAHLLOKOSA-N	1	1	420.487	1.745	20	0		HDADMO
O=Cc1cccc(OCC(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000733596738	1076122238	/nfs/dbraw/zinc/12/22/38/1076122238.db2.gz	MUHPCSOFIJYTEU-UHFFFAOYSA-N	1	1	418.490	1.572	20	0		HDADMO
CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000733669910	1076151884	/nfs/dbraw/zinc/15/18/84/1076151884.db2.gz	NAVWLHNHCDHSQH-INIZCTEOSA-N	1	1	424.567	1.049	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCCc2nnc3n2CCCCC3)cn1	ZINC000727620469	1076196567	/nfs/dbraw/zinc/19/65/67/1076196567.db2.gz	IUSALWNGNPVNDH-UHFFFAOYSA-N	1	1	422.493	1.581	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C(C3CC3)C3CC3)C2=O)c1	ZINC000733794063	1076214718	/nfs/dbraw/zinc/21/47/18/1076214718.db2.gz	BSCGPSXCEWTBOJ-NRFANRHFSA-N	1	1	400.479	1.614	20	0		HDADMO
C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[N@@H+](C)C1CC1	ZINC000727742474	1076216415	/nfs/dbraw/zinc/21/64/15/1076216415.db2.gz	RULMWUJZABMAAM-BBRMVZONSA-N	1	1	421.519	1.223	20	0		HDADMO
CCOC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1	ZINC000733797376	1076216585	/nfs/dbraw/zinc/21/65/85/1076216585.db2.gz	UWSZPUPYAFTGFL-PGRDOPGGSA-N	1	1	416.522	1.709	20	0		HDADMO
CCOC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1	ZINC000733797376	1076216589	/nfs/dbraw/zinc/21/65/89/1076216589.db2.gz	UWSZPUPYAFTGFL-PGRDOPGGSA-N	1	1	416.522	1.709	20	0		HDADMO
O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727766715	1076220635	/nfs/dbraw/zinc/22/06/35/1076220635.db2.gz	DWLFYKLBJLQMCY-VQIMIIECSA-N	1	1	400.504	1.497	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000727749813	1076224616	/nfs/dbraw/zinc/22/46/16/1076224616.db2.gz	KXNIPVBFMCVNKC-CQSZACIVSA-N	1	1	401.504	1.307	20	0		HDADMO
O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000727754760	1076229304	/nfs/dbraw/zinc/22/93/04/1076229304.db2.gz	OIRQLVWRYXCLKV-LJQANCHMSA-N	1	1	418.494	1.590	20	0		HDADMO
O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1	ZINC000727754760	1076229307	/nfs/dbraw/zinc/22/93/07/1076229307.db2.gz	OIRQLVWRYXCLKV-LJQANCHMSA-N	1	1	418.494	1.590	20	0		HDADMO
C[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)CN1CC[NH+](C)CC1	ZINC000733882694	1076238063	/nfs/dbraw/zinc/23/80/63/1076238063.db2.gz	VCKCNZHEYBIHIZ-ZDUSSCGKSA-N	1	1	407.458	1.593	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000733882303	1076238558	/nfs/dbraw/zinc/23/85/58/1076238558.db2.gz	GSKJOTGLPRNHMY-MRXNPFEDSA-N	1	1	402.568	1.542	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1	ZINC000533830882	1076245567	/nfs/dbraw/zinc/24/55/67/1076245567.db2.gz	LDTNRZIFLBUGQC-FQEVSTJZSA-N	1	1	417.531	1.836	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1	ZINC000533830882	1076245572	/nfs/dbraw/zinc/24/55/72/1076245572.db2.gz	LDTNRZIFLBUGQC-FQEVSTJZSA-N	1	1	417.531	1.836	20	0		HDADMO
COCC(COC)[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC001299318739	1076247722	/nfs/dbraw/zinc/24/77/22/1076247722.db2.gz	KSYSTRSPGYKSLC-UHFFFAOYSA-N	1	1	418.321	1.529	20	0		HDADMO
COCC(COC)[NH+]1CCN(C(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC001299319544	1076248849	/nfs/dbraw/zinc/24/88/49/1076248849.db2.gz	VKEOJHZXEFGNHN-QGZVFWFLSA-N	1	1	413.559	1.829	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000534569543	1076249350	/nfs/dbraw/zinc/24/93/50/1076249350.db2.gz	MKHZXMOPKQMYRJ-LJQANCHMSA-N	1	1	418.519	1.920	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000534569543	1076249353	/nfs/dbraw/zinc/24/93/53/1076249353.db2.gz	MKHZXMOPKQMYRJ-LJQANCHMSA-N	1	1	418.519	1.920	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000535266999	1076250361	/nfs/dbraw/zinc/25/03/61/1076250361.db2.gz	AWCCABUAIJDIGB-IBGZPJMESA-N	1	1	402.520	1.923	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000535266999	1076250369	/nfs/dbraw/zinc/25/03/69/1076250369.db2.gz	AWCCABUAIJDIGB-IBGZPJMESA-N	1	1	402.520	1.923	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1	ZINC000535292709	1076252260	/nfs/dbraw/zinc/25/22/60/1076252260.db2.gz	HVTBAYRQVXZPSL-NRFANRHFSA-N	1	1	413.566	1.903	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1	ZINC000535292709	1076252264	/nfs/dbraw/zinc/25/22/64/1076252264.db2.gz	HVTBAYRQVXZPSL-NRFANRHFSA-N	1	1	413.566	1.903	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1	ZINC000536050911	1076255220	/nfs/dbraw/zinc/25/52/20/1076255220.db2.gz	QYODLXUPOPGBJR-OAQYLSRUSA-N	1	1	413.566	1.949	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1	ZINC000536050911	1076255227	/nfs/dbraw/zinc/25/52/27/1076255227.db2.gz	QYODLXUPOPGBJR-OAQYLSRUSA-N	1	1	413.566	1.949	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CN[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)o1	ZINC000733898282	1076259085	/nfs/dbraw/zinc/25/90/85/1076259085.db2.gz	POZGCUWNWKEAPD-FQEVSTJZSA-N	1	1	407.536	1.647	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)o1	ZINC000733898282	1076259094	/nfs/dbraw/zinc/25/90/94/1076259094.db2.gz	POZGCUWNWKEAPD-FQEVSTJZSA-N	1	1	407.536	1.647	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1	ZINC000727805981	1076259280	/nfs/dbraw/zinc/25/92/80/1076259280.db2.gz	HIUSJOXIAUHWSC-NHHWLVAYSA-N	1	1	412.534	1.732	20	0		HDADMO
CC(=O)N1CCN(c2ccc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])CC1	ZINC000142164747	1076261382	/nfs/dbraw/zinc/26/13/82/1076261382.db2.gz	QOOOXUGDGQDDMB-GOSISDBHSA-N	1	1	415.494	1.574	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)n1C	ZINC000733970393	1076272581	/nfs/dbraw/zinc/27/25/81/1076272581.db2.gz	SWBKACIXYLZSAD-UHFFFAOYSA-N	1	1	415.313	1.582	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733976379	1076280945	/nfs/dbraw/zinc/28/09/45/1076280945.db2.gz	BPMAHPXERCLNOW-RELWKKBWSA-N	1	1	421.545	1.996	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733976379	1076280950	/nfs/dbraw/zinc/28/09/50/1076280950.db2.gz	BPMAHPXERCLNOW-RELWKKBWSA-N	1	1	421.545	1.996	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733976379	1076280956	/nfs/dbraw/zinc/28/09/56/1076280956.db2.gz	BPMAHPXERCLNOW-RELWKKBWSA-N	1	1	421.545	1.996	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)NCCCN2CCC[N@H+](C)CC2)C(F)(F)F)n1	ZINC000733978446	1076281092	/nfs/dbraw/zinc/28/10/92/1076281092.db2.gz	CLYTXFHBRMTMNM-MRXNPFEDSA-N	1	1	408.490	1.735	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)NCCC[N@H+]2CCCN(C)CC2)C(F)(F)F)n1	ZINC000733978446	1076281094	/nfs/dbraw/zinc/28/10/94/1076281094.db2.gz	CLYTXFHBRMTMNM-MRXNPFEDSA-N	1	1	408.490	1.735	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)C(F)(F)F)n1	ZINC000733978446	1076281096	/nfs/dbraw/zinc/28/10/96/1076281096.db2.gz	CLYTXFHBRMTMNM-MRXNPFEDSA-N	1	1	408.490	1.735	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)n1C	ZINC000733970496	1076287573	/nfs/dbraw/zinc/28/75/73/1076287573.db2.gz	WVSAHQVZQQZEFM-UHFFFAOYSA-N	1	1	418.457	1.821	20	0		HDADMO
O=C(Nc1ccc(-n2nccn2)nc1)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000727934683	1076289004	/nfs/dbraw/zinc/28/90/04/1076289004.db2.gz	RQGKEOWDXVAARD-UHFFFAOYSA-N	1	1	413.404	1.781	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000727989995	1076298626	/nfs/dbraw/zinc/29/86/26/1076298626.db2.gz	YHOJBFIOJXOIOC-CVDFKLHSSA-N	1	1	410.584	1.351	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000728067719	1076315719	/nfs/dbraw/zinc/31/57/19/1076315719.db2.gz	YGGSEKOSCVJTTR-ZTXRYZOMSA-N	1	1	424.611	1.647	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000728067719	1076315721	/nfs/dbraw/zinc/31/57/21/1076315721.db2.gz	YGGSEKOSCVJTTR-ZTXRYZOMSA-N	1	1	424.611	1.647	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000728067715	1076315852	/nfs/dbraw/zinc/31/58/52/1076315852.db2.gz	YGGSEKOSCVJTTR-JIARHERNSA-N	1	1	424.611	1.647	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000728067715	1076315854	/nfs/dbraw/zinc/31/58/54/1076315854.db2.gz	YGGSEKOSCVJTTR-JIARHERNSA-N	1	1	424.611	1.647	20	0		HDADMO
Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c(C)c1	ZINC001083151630	1076317150	/nfs/dbraw/zinc/31/71/50/1076317150.db2.gz	JKWKRTMALNYLEG-RTOMLYRKSA-N	1	1	400.519	1.767	20	0		HDADMO
Cc1ccc(F)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H]2C1	ZINC001083151672	1076317178	/nfs/dbraw/zinc/31/71/78/1076317178.db2.gz	MULNXRPXQZKKBX-OFOKGCAXSA-N	1	1	404.482	1.597	20	0		HDADMO
Cc1ccc(F)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H]2C1	ZINC001083151672	1076317182	/nfs/dbraw/zinc/31/71/82/1076317182.db2.gz	MULNXRPXQZKKBX-OFOKGCAXSA-N	1	1	404.482	1.597	20	0		HDADMO
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000728055160	1076322881	/nfs/dbraw/zinc/32/28/81/1076322881.db2.gz	KVMLMQKKKHZIQZ-QGZVFWFLSA-N	1	1	419.522	1.957	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)NCc1ccccc1CN1CCOCC1	ZINC000728055085	1076323009	/nfs/dbraw/zinc/32/30/09/1076323009.db2.gz	IREVZBKREXSQGV-FQEVSTJZSA-N	1	1	403.523	1.220	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000728073733	1076333565	/nfs/dbraw/zinc/33/35/65/1076333565.db2.gz	XSWKVLCMRUKJQF-UFWNIKGBSA-N	1	1	410.584	1.303	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1	ZINC000728077449	1076334378	/nfs/dbraw/zinc/33/43/78/1076334378.db2.gz	JAKFHKWFJMIILN-IRXDYDNUSA-N	1	1	420.941	1.392	20	0		HDADMO
CCCc1ccc(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1	ZINC000728077934	1076334465	/nfs/dbraw/zinc/33/44/65/1076334465.db2.gz	REZSNTXNVXXXSQ-RTBURBONSA-N	1	1	414.550	1.696	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(F)(F)F)n1	ZINC000728078137	1076334628	/nfs/dbraw/zinc/33/46/28/1076334628.db2.gz	ULCRRXQGTPYIJH-WBMJQRKESA-N	1	1	422.473	1.295	20	0		HDADMO
COc1ccc(C2N=NC(=S)N2CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000728125689	1076338489	/nfs/dbraw/zinc/33/84/89/1076338489.db2.gz	JOWMJDWEOGAWST-KRWDZBQOSA-N	1	1	417.535	1.566	20	0		HDADMO
Cc1cc(CN2CCN(CC(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)CC2)on1	ZINC000025437330	1076352097	/nfs/dbraw/zinc/35/20/97/1076352097.db2.gz	GDHZKLLXHVAJQZ-UHFFFAOYSA-N	1	1	411.550	1.753	20	0		HDADMO
COc1cccc(COC[C@@H](O)C[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)c1	ZINC000029642161	1076363115	/nfs/dbraw/zinc/36/31/15/1076363115.db2.gz	JXJSCQIOXRYSBX-SFHVURJKSA-N	1	1	418.494	1.125	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1	ZINC000729983345	1076406849	/nfs/dbraw/zinc/40/68/49/1076406849.db2.gz	OQFLBGHJWDVRDA-CQSZACIVSA-N	1	1	419.931	1.363	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1F	ZINC000730083930	1076430680	/nfs/dbraw/zinc/43/06/80/1076430680.db2.gz	BPNTXMVXALEIDR-IAGOWNOFSA-N	1	1	413.515	1.184	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1)[NH+]1CCOCC1	ZINC000730085896	1076433027	/nfs/dbraw/zinc/43/30/27/1076433027.db2.gz	PIMDDVPRYCCYHC-HNNXBMFYSA-N	1	1	416.503	1.516	20	0		HDADMO
C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1=O	ZINC000730088405	1076442881	/nfs/dbraw/zinc/44/28/81/1076442881.db2.gz	DIINUYYLQQOCGK-HXUWFJFHSA-N	1	1	408.393	1.812	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1	ZINC000730129942	1076459466	/nfs/dbraw/zinc/45/94/66/1076459466.db2.gz	GJVPDKUDKJGJFF-XJKSGUPXSA-N	1	1	404.433	1.554	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[NH+]3CCC(CNC(C)=O)CC3)C2=O)cc1	ZINC000730254189	1076500052	/nfs/dbraw/zinc/50/00/52/1076500052.db2.gz	WWOWBXSWYDHVJK-OAQYLSRUSA-N	1	1	402.495	1.354	20	0		HDADMO
C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730261482	1076503335	/nfs/dbraw/zinc/50/33/35/1076503335.db2.gz	KYVRLBUERFZILC-WMLDXEAASA-N	1	1	408.524	1.331	20	0		HDADMO
C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730261482	1076503340	/nfs/dbraw/zinc/50/33/40/1076503340.db2.gz	KYVRLBUERFZILC-WMLDXEAASA-N	1	1	408.524	1.331	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730262235	1076504031	/nfs/dbraw/zinc/50/40/31/1076504031.db2.gz	PUFCPNWPJVIDTA-SJORKVTESA-N	1	1	403.527	1.718	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730262235	1076504032	/nfs/dbraw/zinc/50/40/32/1076504032.db2.gz	PUFCPNWPJVIDTA-SJORKVTESA-N	1	1	403.527	1.718	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000730264571	1076506639	/nfs/dbraw/zinc/50/66/39/1076506639.db2.gz	UQDFDYJAHDQWIQ-LJQANCHMSA-N	1	1	402.539	1.930	20	0		HDADMO
COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000730266711	1076507589	/nfs/dbraw/zinc/50/75/89/1076507589.db2.gz	ZYMSRQJTDFSUGM-KBPBESRZSA-N	1	1	400.520	1.472	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000730272437	1076516761	/nfs/dbraw/zinc/51/67/61/1076516761.db2.gz	NEHQSWUSPIAXDP-UHFFFAOYSA-N	1	1	423.517	1.570	20	0		HDADMO
CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000730310420	1076526128	/nfs/dbraw/zinc/52/61/28/1076526128.db2.gz	VFMPHYYGPAKYJX-KRWDZBQOSA-N	1	1	405.520	1.186	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1	ZINC000730381323	1076553075	/nfs/dbraw/zinc/55/30/75/1076553075.db2.gz	IXDOCYKQDVZNQT-AWEZNQCLSA-N	1	1	405.524	1.639	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCn2c(=O)oc3ccccc32)cn1	ZINC000730388726	1076569151	/nfs/dbraw/zinc/56/91/51/1076569151.db2.gz	UXPNZAIAADGUBF-UHFFFAOYSA-N	1	1	406.402	1.239	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1	ZINC000730569800	1076604869	/nfs/dbraw/zinc/60/48/69/1076604869.db2.gz	BMAPBLUTJDYFEW-UHFFFAOYSA-N	1	1	412.531	1.618	20	0		HDADMO
COC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1	ZINC000730684571	1076640381	/nfs/dbraw/zinc/64/03/81/1076640381.db2.gz	YHDPOCNXLWGNOC-GOSISDBHSA-N	1	1	417.510	1.432	20	0		HDADMO
O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000730774080	1076650494	/nfs/dbraw/zinc/65/04/94/1076650494.db2.gz	SJYVLSPJVYSGFZ-IKGGRYGDSA-N	1	1	420.897	1.524	20	0		HDADMO
CN(C[C@@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000730803540	1076655300	/nfs/dbraw/zinc/65/53/00/1076655300.db2.gz	JZHKACOUPXXKNM-SIKLNZKXSA-N	1	1	400.523	1.889	20	0		HDADMO
C[N@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O	ZINC000730804618	1076655706	/nfs/dbraw/zinc/65/57/06/1076655706.db2.gz	WIBXUUSYFWTXOE-KKSFZXQISA-N	1	1	403.479	1.974	20	0		HDADMO
C[N@@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O	ZINC000730804618	1076655709	/nfs/dbraw/zinc/65/57/09/1076655709.db2.gz	WIBXUUSYFWTXOE-KKSFZXQISA-N	1	1	403.479	1.974	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000730825198	1076663031	/nfs/dbraw/zinc/66/30/31/1076663031.db2.gz	MMIJJXAEHRUCQH-JKSUJKDBSA-N	1	1	411.547	1.273	20	0		HDADMO
C[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C[C@H]1CCCOC1	ZINC000730808094	1076665910	/nfs/dbraw/zinc/66/59/10/1076665910.db2.gz	BEKBKZNQGVVCNI-UTKZUKDTSA-N	1	1	402.495	1.319	20	0		HDADMO
COCC[N@H+](CCCOc1ccc(F)cc1)CC(=O)N1CCC2(CC1)OCCO2	ZINC000730808740	1076666193	/nfs/dbraw/zinc/66/61/93/1076666193.db2.gz	UEDKJOSXVSJSFF-UHFFFAOYSA-N	1	1	410.486	1.909	20	0		HDADMO
COCC[N@@H+](CCCOc1ccc(F)cc1)CC(=O)N1CCC2(CC1)OCCO2	ZINC000730808740	1076666194	/nfs/dbraw/zinc/66/61/94/1076666194.db2.gz	UEDKJOSXVSJSFF-UHFFFAOYSA-N	1	1	410.486	1.909	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F	ZINC000731007288	1076709306	/nfs/dbraw/zinc/70/93/06/1076709306.db2.gz	JHYREOGFGWDOPU-CQSZACIVSA-N	1	1	401.504	1.353	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000731018161	1076711915	/nfs/dbraw/zinc/71/19/15/1076711915.db2.gz	NDPBZERUCHUSNH-CQSZACIVSA-N	1	1	415.943	1.479	20	0		HDADMO
NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000731190219	1076744100	/nfs/dbraw/zinc/74/41/00/1076744100.db2.gz	GSDGNTRQVRWQGC-QGZVFWFLSA-N	1	1	409.490	1.538	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(Cn3nnn(C(C)(C)C)c3=S)CC2)CC1	ZINC000731206074	1076754702	/nfs/dbraw/zinc/75/47/02/1076754702.db2.gz	ZWOSIVBABTTXRY-UHFFFAOYSA-N	1	1	409.604	1.788	20	0		HDADMO
CCOC(=O)N(C)C1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1	ZINC000731232748	1076761214	/nfs/dbraw/zinc/76/12/14/1076761214.db2.gz	JVPWHUMKRRXVFA-AEFFLSMTSA-N	1	1	408.543	1.399	20	0		HDADMO
CC(=O)NC1(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCCC1	ZINC000731255487	1076771592	/nfs/dbraw/zinc/77/15/92/1076771592.db2.gz	SVDUDUBGPLFZMP-UHFFFAOYSA-N	1	1	401.507	1.631	20	0		HDADMO
C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1	ZINC001176588565	1126149864	/nfs/dbraw/zinc/14/98/64/1126149864.db2.gz	STXWJWGLEVXHDE-LJQANCHMSA-N	1	1	419.482	1.288	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCN3CC[NH2+]C[C@@H]3C2)cc1	ZINC001164404459	718837587	/nfs/dbraw/zinc/83/75/87/718837587.db2.gz	MWIXXVAORZCXMA-QGZVFWFLSA-N	1	1	417.535	1.375	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H](NC(=O)CC4CC4)[C@H]4OCCC[C@H]4C3)n2)CC1	ZINC001164656665	719326490	/nfs/dbraw/zinc/32/64/90/719326490.db2.gz	ZVFIDDJUBJHFJO-UEXGIBASSA-N	1	1	414.554	1.129	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1	ZINC001164672362	719421786	/nfs/dbraw/zinc/42/17/86/719421786.db2.gz	QXKUGCXELGCZBN-ROUUACIJSA-N	1	1	418.519	1.800	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1	ZINC001164672362	719421787	/nfs/dbraw/zinc/42/17/87/719421787.db2.gz	QXKUGCXELGCZBN-ROUUACIJSA-N	1	1	418.519	1.800	20	0		HDADMO
CN1CCN(c2ccc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)nn2)CC1	ZINC001164690366	719758798	/nfs/dbraw/zinc/75/87/98/719758798.db2.gz	AZZITTFOBFINNK-IIBYNOLFSA-N	1	1	413.501	1.422	20	0		HDADMO
Cn1nnc2c1CCN(c1cc(Cl)nc3[nH]cnc31)[C@@H]2COCC[NH+]1CCCC1	ZINC001164718213	720179749	/nfs/dbraw/zinc/17/97/49/720179749.db2.gz	NOBUQQJZSNNCFR-OAHLLOKOSA-N	1	1	416.917	1.956	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1C	ZINC001164717227	720211601	/nfs/dbraw/zinc/21/16/01/720211601.db2.gz	GVYFCTDOVSMRRP-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1C	ZINC001164717227	720211607	/nfs/dbraw/zinc/21/16/07/720211607.db2.gz	GVYFCTDOVSMRRP-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nn1	ZINC001164810812	720214801	/nfs/dbraw/zinc/21/48/01/720214801.db2.gz	CUYRFMRMJMVDHD-UHFFFAOYSA-N	1	1	400.483	1.461	20	0		HDADMO
CCOC(=O)c1cnc(C)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164811961	720217663	/nfs/dbraw/zinc/21/76/63/720217663.db2.gz	BJDWXEALXLIOMG-UHFFFAOYSA-N	1	1	414.510	1.769	20	0		HDADMO
COC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(F)c1	ZINC001164812827	720218877	/nfs/dbraw/zinc/21/88/77/720218877.db2.gz	JLAHLZAXUSTHDE-UHFFFAOYSA-N	1	1	403.458	1.815	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ncccc43)C2)C1	ZINC001164719728	720223304	/nfs/dbraw/zinc/22/33/04/720223304.db2.gz	SSBYMJHRWFPODB-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ncccc43)C2)C1	ZINC001164719728	720223309	/nfs/dbraw/zinc/22/33/09/720223309.db2.gz	SSBYMJHRWFPODB-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1	ZINC001164716083	720223355	/nfs/dbraw/zinc/22/33/55/720223355.db2.gz	AKODOHFUQGJLJL-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1	ZINC001164716083	720223366	/nfs/dbraw/zinc/22/33/66/720223366.db2.gz	AKODOHFUQGJLJL-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ncsc43)C2)C1	ZINC001164717566	720253371	/nfs/dbraw/zinc/25/33/71/720253371.db2.gz	BFICQHHFVOPDDO-KRWDZBQOSA-N	1	1	410.931	1.405	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ncsc43)C2)C1	ZINC001164717566	720253380	/nfs/dbraw/zinc/25/33/80/720253380.db2.gz	BFICQHHFVOPDDO-KRWDZBQOSA-N	1	1	410.931	1.405	20	0		HDADMO
CCc1c(Cl)nnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1CC	ZINC001164720502	720254145	/nfs/dbraw/zinc/25/41/45/720254145.db2.gz	XOPQYINWSSZZFD-HXUWFJFHSA-N	1	1	409.962	1.920	20	0		HDADMO
CCc1c(Cl)nnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1CC	ZINC001164720502	720254147	/nfs/dbraw/zinc/25/41/47/720254147.db2.gz	XOPQYINWSSZZFD-HXUWFJFHSA-N	1	1	409.962	1.920	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1	ZINC001164720037	720258709	/nfs/dbraw/zinc/25/87/09/720258709.db2.gz	QQPPEAGMXBXCAX-JOCHJYFZSA-N	1	1	408.506	1.776	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1	ZINC001164720037	720258715	/nfs/dbraw/zinc/25/87/15/720258715.db2.gz	QQPPEAGMXBXCAX-JOCHJYFZSA-N	1	1	408.506	1.776	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3[nH]cnc32)CC1	ZINC001164818880	720290765	/nfs/dbraw/zinc/29/07/65/720290765.db2.gz	BHGYNFFUZYBPHW-KBPBESRZSA-N	1	1	403.918	1.918	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2n[nH]c(Cl)c3ncnc2-3)CC1	ZINC001164823332	720326379	/nfs/dbraw/zinc/32/63/79/720326379.db2.gz	AOWYVOAGAPRLIA-ZIAGYGMSSA-N	1	1	403.918	1.918	20	0		HDADMO
Cn1ccc2c1nc[nH+]c2N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1	ZINC001164823491	720437610	/nfs/dbraw/zinc/43/76/10/720437610.db2.gz	KOGGLXCZSPABHK-MRXNPFEDSA-N	1	1	411.510	1.154	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)C(=O)NC2=O	ZINC001164842776	720596271	/nfs/dbraw/zinc/59/62/71/720596271.db2.gz	VMJRHTJPUYQWGT-LZLYRXPVSA-N	1	1	408.506	1.848	20	0		HDADMO
CON(C)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164737600	720705349	/nfs/dbraw/zinc/70/53/49/720705349.db2.gz	GNDVMCGPMIGJMX-HUUCEWRRSA-N	1	1	418.885	1.500	20	0		HDADMO
Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1C	ZINC001164738662	720750910	/nfs/dbraw/zinc/75/09/10/720750910.db2.gz	GNNOZUQNSLZFLM-QWHCGFSZSA-N	1	1	400.874	1.457	20	0		HDADMO
Clc1nc2nc[nH]c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164750079	720811002	/nfs/dbraw/zinc/81/10/02/720811002.db2.gz	VCLWEKQXYVENHY-SOUVJXGZSA-N	1	1	413.917	1.977	20	0		HDADMO
CCOC(=O)c1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164744501	720826655	/nfs/dbraw/zinc/82/66/55/720826655.db2.gz	URUSGJGQUSKCLO-ZIFCJYIRSA-N	1	1	411.510	1.624	20	0		HDADMO
c1ncn(C[C@H]2C[C@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164743133	720836665	/nfs/dbraw/zinc/83/66/65/720836665.db2.gz	IWFQHSDTOFVLMD-XUVXKRRUSA-N	1	1	424.553	1.284	20	0		HDADMO
CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164741925	720836997	/nfs/dbraw/zinc/83/69/97/720836997.db2.gz	FWXVDMKXFZJIHZ-WSTZPKSXSA-N	1	1	409.538	1.802	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)c(OC)cc43)CC[C@@H]2C1	ZINC001164853244	720841805	/nfs/dbraw/zinc/84/18/05/720841805.db2.gz	NMNQUNSQEYWIBJ-QRWLVFNGSA-N	1	1	402.495	1.821	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1	ZINC001164851598	720854269	/nfs/dbraw/zinc/85/42/69/720854269.db2.gz	BFHZSGKIPWMSEV-HKUYNNGSSA-N	1	1	414.506	1.980	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c2c1	ZINC001164856838	720855429	/nfs/dbraw/zinc/85/54/29/720855429.db2.gz	POCVGBRXIDGTOI-YLJYHZDGSA-N	1	1	414.506	1.980	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)[nH]cc1-2	ZINC001164854894	720871667	/nfs/dbraw/zinc/87/16/67/720871667.db2.gz	GGBAHTHHCHWQIA-HNAYVOBHSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)[nH]cc1-2	ZINC001164854894	720871669	/nfs/dbraw/zinc/87/16/69/720871669.db2.gz	GGBAHTHHCHWQIA-HNAYVOBHSA-N	1	1	402.495	1.913	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC[C@@H]2C1	ZINC001164860601	720875757	/nfs/dbraw/zinc/87/57/57/720875757.db2.gz	OYOBNWYXYQIVDM-IEBWSBKVSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)CC[C@H]2C1	ZINC001164855209	720882864	/nfs/dbraw/zinc/88/28/64/720882864.db2.gz	GKYFPTLEIOOVFG-QFBILLFUSA-N	1	1	403.527	1.323	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)n2)CC1	ZINC001164760378	721032130	/nfs/dbraw/zinc/03/21/30/721032130.db2.gz	CPGORFJPUGIFQP-NFBKMPQASA-N	1	1	424.549	1.968	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1	ZINC001164866122	721077352	/nfs/dbraw/zinc/07/73/52/721077352.db2.gz	RGOKDCQYDQYYRS-CABCVRRESA-N	1	1	423.926	1.257	20	0		HDADMO
CCOC(=O)c1cc(Cl)nnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164761583	721095843	/nfs/dbraw/zinc/09/58/43/721095843.db2.gz	CAIJFWBBHWZHJG-LSDHHAIUSA-N	1	1	404.902	1.999	20	0		HDADMO
COC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12	ZINC001164866639	721105998	/nfs/dbraw/zinc/10/59/98/721105998.db2.gz	UKCAYCILNJCUGG-HOTGVXAUSA-N	1	1	408.462	1.619	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164863539	721108405	/nfs/dbraw/zinc/10/84/05/721108405.db2.gz	CTGZJZCKZXVSKK-QZTJIDSGSA-N	1	1	417.535	1.255	20	0		HDADMO
CN1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1	ZINC001164867650	721110533	/nfs/dbraw/zinc/11/05/33/721110533.db2.gz	ZGCMEKHRJZFRGY-LEWJYISDSA-N	1	1	408.550	1.708	20	0		HDADMO
CN1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1	ZINC001164867650	721110540	/nfs/dbraw/zinc/11/05/40/721110540.db2.gz	ZGCMEKHRJZFRGY-LEWJYISDSA-N	1	1	408.550	1.708	20	0		HDADMO
COC(OC)c1c(CO)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865931	721121175	/nfs/dbraw/zinc/12/11/75/721121175.db2.gz	QAABBVWNWWAEEP-OALUTQOASA-N	1	1	414.506	1.740	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@H]3C2)cn1	ZINC001164764220	721138800	/nfs/dbraw/zinc/13/88/00/721138800.db2.gz	HLFRDQMUBGRBQZ-DLBZAZTESA-N	1	1	417.945	1.658	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@@H]3C2)cn1	ZINC001164764306	721165333	/nfs/dbraw/zinc/16/53/33/721165333.db2.gz	GZZSIYOBHSYUJQ-OALUTQOASA-N	1	1	408.506	1.422	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164767609	721180578	/nfs/dbraw/zinc/18/05/78/721180578.db2.gz	KEOHYEMPSRRQQC-IAGOWNOFSA-N	1	1	423.521	1.837	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nnc(Cl)c5c4N(C)CCO5)C[C@H]3C2)cn1	ZINC001164772328	721183969	/nfs/dbraw/zinc/18/39/69/721183969.db2.gz	SEAQOOZEUDVRGG-HUUCEWRRSA-N	1	1	403.918	1.650	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1	ZINC001164764062	721197102	/nfs/dbraw/zinc/19/71/02/721197102.db2.gz	GCXAWGJJEYMPLE-ZWKOTPCHSA-N	1	1	418.567	1.460	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1	ZINC001164771512	721197585	/nfs/dbraw/zinc/19/75/85/721197585.db2.gz	QTEIFEGWGVKETG-IRXDYDNUSA-N	1	1	404.540	1.072	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1	ZINC001164760690	721247747	/nfs/dbraw/zinc/24/77/47/721247747.db2.gz	FXXRFMXQUYNIIJ-CABCVRRESA-N	1	1	403.918	1.572	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(N4CCCC4)n3)CC2)C1	ZINC001164875842	721260541	/nfs/dbraw/zinc/26/05/41/721260541.db2.gz	MLCIKNRNMPMHEX-UHFFFAOYSA-N	1	1	402.543	1.084	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3c[nH]c4ncnc(Cl)c34)CC2)C1	ZINC001164869865	721264111	/nfs/dbraw/zinc/26/41/11/721264111.db2.gz	RAFSBASICKNOID-UHFFFAOYSA-N	1	1	406.918	1.570	20	0		HDADMO
COc1cccc2c1ncnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164868565	721266700	/nfs/dbraw/zinc/26/67/00/721266700.db2.gz	CHUKERRTHCNUNA-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
CCOc1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164869350	721268259	/nfs/dbraw/zinc/26/82/59/721268259.db2.gz	LDFZHRTUYZOJLX-UHFFFAOYSA-N	1	1	411.934	1.536	20	0		HDADMO
CCOc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164872462	721276146	/nfs/dbraw/zinc/27/61/46/721276146.db2.gz	DNKOLZAAWQWLLK-UHFFFAOYSA-N	1	1	411.934	1.536	20	0		HDADMO
CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164873427	721277089	/nfs/dbraw/zinc/27/70/89/721277089.db2.gz	MNHWCYZJDLBYHZ-UHFFFAOYSA-N	1	1	419.574	1.068	20	0		HDADMO
CC(C)Sc1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nn1	ZINC001164876638	721288020	/nfs/dbraw/zinc/28/80/20/721288020.db2.gz	KQKHSHWGSDIREL-UHFFFAOYSA-N	1	1	407.584	1.984	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)n2)CC1	ZINC001164881920	721314681	/nfs/dbraw/zinc/31/46/81/721314681.db2.gz	YABYYLRIMHRPEJ-GBESFXJTSA-N	1	1	410.522	1.686	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4C(N)=O)C3)O2)CC1	ZINC001164889195	721386843	/nfs/dbraw/zinc/38/68/43/721386843.db2.gz	KTSCFRHTCQDGNG-QRWLVFNGSA-N	1	1	407.946	1.599	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4C(N)=O)C3)O2)CC1	ZINC001164889197	721387152	/nfs/dbraw/zinc/38/71/52/721387152.db2.gz	KTSCFRHTCQDGNG-YWZLYKJASA-N	1	1	407.946	1.599	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1OC	ZINC001164884379	721388436	/nfs/dbraw/zinc/38/84/36/721388436.db2.gz	AMWUTOJWSQULQO-JTSKRJEESA-N	1	1	418.538	1.642	20	0		HDADMO
CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncn1	ZINC001164892285	721399218	/nfs/dbraw/zinc/39/92/18/721399218.db2.gz	SSTGQILFTZJCMG-DYESRHJHSA-N	1	1	403.527	1.419	20	0		HDADMO
CN(C)C(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164892946	721403333	/nfs/dbraw/zinc/40/33/33/721403333.db2.gz	ZGYOGZBVTQXBQU-SIKLNZKXSA-N	1	1	401.555	1.549	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C(N)=O)C3)O2)CC1	ZINC001164888326	721413759	/nfs/dbraw/zinc/41/37/59/721413759.db2.gz	OFYKVLAUEMXBEX-FOIQADDNSA-N	1	1	407.946	1.599	20	0		HDADMO
CCOC(=O)Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164888229	721417905	/nfs/dbraw/zinc/41/79/05/721417905.db2.gz	NQTPQWXCALJQAN-KNQAVFIVSA-N	1	1	417.554	1.348	20	0		HDADMO
CCOC(=O)Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164888233	721418092	/nfs/dbraw/zinc/41/80/92/721418092.db2.gz	NQTPQWXCALJQAN-UGKGYDQZSA-N	1	1	417.554	1.348	20	0		HDADMO
O=S(=O)(c1cccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1)N1CCCC1	ZINC001164783662	721418614	/nfs/dbraw/zinc/41/86/14/721418614.db2.gz	JFMCMFOIMWDTCL-IYBDPMFKSA-N	1	1	419.576	1.891	20	0		HDADMO
O=S(=O)(c1cccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1)N1CCCC1	ZINC001164783662	721418620	/nfs/dbraw/zinc/41/86/20/721418620.db2.gz	JFMCMFOIMWDTCL-IYBDPMFKSA-N	1	1	419.576	1.891	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc5ncnc(Cl)c5n4)C3)O2)CC1	ZINC001164884672	721423986	/nfs/dbraw/zinc/42/39/86/721423986.db2.gz	FHAXVFFOAWVXAP-MGPUTAFESA-N	1	1	417.945	1.839	20	0		HDADMO
Cc1cn(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)cn1	ZINC001164883728	721424265	/nfs/dbraw/zinc/42/42/65/721424265.db2.gz	BXBLULRDWWZXAH-UGKGYDQZSA-N	1	1	411.554	1.736	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(S(C)(=O)=O)cn4)C3)O2)CC1	ZINC001164896781	721429136	/nfs/dbraw/zinc/42/91/36/721429136.db2.gz	RZUWPWJWVWSIDD-FXAWDEMLSA-N	1	1	408.568	1.251	20	0		HDADMO
CCCNC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164899897	721434329	/nfs/dbraw/zinc/43/43/29/721434329.db2.gz	ZMRPPANLXXJBTJ-XXBNENTESA-N	1	1	415.582	1.987	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1OC	ZINC001164890340	721452426	/nfs/dbraw/zinc/45/24/26/721452426.db2.gz	QXTSDGFVBVRGFL-KKSFZXQISA-N	1	1	419.526	1.037	20	0		HDADMO
Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1C1C[NH2+]C1	ZINC001164890988	721453429	/nfs/dbraw/zinc/45/34/29/721453429.db2.gz	TXJTYCRSCOIXEQ-UGKGYDQZSA-N	1	1	400.571	1.237	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CNC3)CC2	ZINC001164789404	721455666	/nfs/dbraw/zinc/45/56/66/721455666.db2.gz	VJMPLADTPRUZNN-GOSISDBHSA-N	1	1	401.555	1.814	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)n2)CC1	ZINC001164793393	721487957	/nfs/dbraw/zinc/48/79/57/721487957.db2.gz	RNTOXMOSHFIJHC-IERDGZPVSA-N	1	1	414.485	1.294	20	0		HDADMO
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12	ZINC001164806629	721536387	/nfs/dbraw/zinc/53/63/87/721536387.db2.gz	PJPCWZWIAOUFLZ-JQVVWYNYSA-N	1	1	409.538	1.149	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@H]2CCCO[C@@H]12	ZINC001164804507	721545735	/nfs/dbraw/zinc/54/57/35/721545735.db2.gz	KBHIKVQXCJVQQK-JJRVBVJISA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@H]2CCCO[C@@H]12	ZINC001164804507	721545738	/nfs/dbraw/zinc/54/57/38/721545738.db2.gz	KBHIKVQXCJVQQK-JJRVBVJISA-N	1	1	402.886	1.492	20	0		HDADMO
CN(C)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2nc[nH]c21	ZINC001164801732	721562776	/nfs/dbraw/zinc/56/27/76/721562776.db2.gz	HDXXKKHDWZBFQC-BQFCYCMXSA-N	1	1	408.510	1.682	20	0		HDADMO
CN(C)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2nc[nH]c21	ZINC001164801732	721562777	/nfs/dbraw/zinc/56/27/77/721562777.db2.gz	HDXXKKHDWZBFQC-BQFCYCMXSA-N	1	1	408.510	1.682	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164904749	721566324	/nfs/dbraw/zinc/56/63/24/721566324.db2.gz	FNPYLYFUHGJTOW-DZGCQCFKSA-N	1	1	405.861	1.971	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1	ZINC001164806184	721576822	/nfs/dbraw/zinc/57/68/22/721576822.db2.gz	PGFGBCFAFBXMHJ-CMKODMSKSA-N	1	1	417.535	1.253	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1	ZINC001164806184	721576825	/nfs/dbraw/zinc/57/68/25/721576825.db2.gz	PGFGBCFAFBXMHJ-CMKODMSKSA-N	1	1	417.535	1.253	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@@H]43)c2)CC1	ZINC001164802866	721596714	/nfs/dbraw/zinc/59/67/14/721596714.db2.gz	VZZFHYNKOVBTGL-UFYCRDLUSA-N	1	1	416.522	1.150	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc21	ZINC001165020817	721816339	/nfs/dbraw/zinc/81/63/39/721816339.db2.gz	DIZUJCDTCAEFQP-WDYCEAGBSA-N	1	1	407.522	1.997	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(S(N)(=O)=O)cc3F)C[C@H]21	ZINC001165027707	721831314	/nfs/dbraw/zinc/83/13/14/721831314.db2.gz	TWSRSTRSWJEQFG-POZUXBRTSA-N	1	1	419.526	2.000	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C	ZINC001164925193	721869222	/nfs/dbraw/zinc/86/92/22/721869222.db2.gz	MXDIFRLQJDRREZ-KBPBESRZSA-N	1	1	421.933	1.257	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C	ZINC001164925193	721869224	/nfs/dbraw/zinc/86/92/24/721869224.db2.gz	MXDIFRLQJDRREZ-KBPBESRZSA-N	1	1	421.933	1.257	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)CC1	ZINC001164921013	721871096	/nfs/dbraw/zinc/87/10/96/721871096.db2.gz	BUDZWQSONJVBEL-ROUUACIJSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)CC1	ZINC001164921013	721871097	/nfs/dbraw/zinc/87/10/97/721871097.db2.gz	BUDZWQSONJVBEL-ROUUACIJSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)CC1	ZINC001164921014	721871109	/nfs/dbraw/zinc/87/11/09/721871109.db2.gz	BUDZWQSONJVBEL-ZWKOTPCHSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)CC1	ZINC001164921014	721871111	/nfs/dbraw/zinc/87/11/11/721871111.db2.gz	BUDZWQSONJVBEL-ZWKOTPCHSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)n2)CC1	ZINC001164927001	721872042	/nfs/dbraw/zinc/87/20/42/721872042.db2.gz	UGACTFVMFRFOPB-QZTJIDSGSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)CC1	ZINC001164927001	721872044	/nfs/dbraw/zinc/87/20/44/721872044.db2.gz	UGACTFVMFRFOPB-QZTJIDSGSA-N	1	1	402.543	1.081	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164934619	721881363	/nfs/dbraw/zinc/88/13/63/721881363.db2.gz	SRONATZSJVKMHI-RBUKOAKNSA-N	1	1	409.600	1.621	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164934619	721881364	/nfs/dbraw/zinc/88/13/64/721881364.db2.gz	SRONATZSJVKMHI-RBUKOAKNSA-N	1	1	409.600	1.621	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1C(=O)OCC	ZINC001164933637	721889931	/nfs/dbraw/zinc/88/99/31/721889931.db2.gz	NNDQOACYKWNSLN-ZWKOTPCHSA-N	1	1	404.511	1.650	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1C(=O)OCC	ZINC001164933637	721889934	/nfs/dbraw/zinc/88/99/34/721889934.db2.gz	NNDQOACYKWNSLN-ZWKOTPCHSA-N	1	1	404.511	1.650	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1C(=O)OCC	ZINC001164933634	721890042	/nfs/dbraw/zinc/89/00/42/721890042.db2.gz	NNDQOACYKWNSLN-MSOLQXFVSA-N	1	1	404.511	1.650	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)cc1C(=O)OCC	ZINC001164933634	721890043	/nfs/dbraw/zinc/89/00/43/721890043.db2.gz	NNDQOACYKWNSLN-MSOLQXFVSA-N	1	1	404.511	1.650	20	0		HDADMO
Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]21	ZINC001164942666	721950752	/nfs/dbraw/zinc/95/07/52/721950752.db2.gz	LSUURCDGESPMRK-MSOLQXFVSA-N	1	1	400.483	1.008	20	0		HDADMO
CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]12	ZINC001164949284	721967729	/nfs/dbraw/zinc/96/77/29/721967729.db2.gz	WQWCUEPQHOFUMO-URXFXBBRSA-N	1	1	420.561	1.997	20	0		HDADMO
CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)C1	ZINC001164953309	722010988	/nfs/dbraw/zinc/01/09/88/722010988.db2.gz	DXLSNXKZLPDJSM-JTSKRJEESA-N	1	1	417.554	1.954	20	0		HDADMO
Cc1ccc(N(c2ccc(N3CCN(C)CC3)nn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001164963461	722025434	/nfs/dbraw/zinc/02/54/34/722025434.db2.gz	UMKOIYLYNXUSNV-PGRDOPGGSA-N	1	1	424.553	1.376	20	0		HDADMO
CN1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)nn2)CC1	ZINC001164959488	722050896	/nfs/dbraw/zinc/05/08/96/722050896.db2.gz	LFEALLFUXFABJH-HMFYCAOWSA-N	1	1	409.538	1.529	20	0		HDADMO
COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1N	ZINC001164964739	722054452	/nfs/dbraw/zinc/05/44/52/722054452.db2.gz	XNJYZQUPIVMVHE-UHFFFAOYSA-N	1	1	411.506	1.964	20	0		HDADMO
CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]21	ZINC001164985230	722098105	/nfs/dbraw/zinc/09/81/05/722098105.db2.gz	VPSYBSZAAPCFJD-SVFBPWRDSA-N	1	1	421.549	1.774	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1	ZINC001164986096	722101966	/nfs/dbraw/zinc/10/19/66/722101966.db2.gz	XYUPVCGRKIBSCU-RDJZCZTQSA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164978198	722108746	/nfs/dbraw/zinc/10/87/46/722108746.db2.gz	NUNHYSQRMVVIOL-FXAWDEMLSA-N	1	1	412.490	1.999	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164978202	722109329	/nfs/dbraw/zinc/10/93/29/722109329.db2.gz	NUNHYSQRMVVIOL-XLIONFOSSA-N	1	1	412.490	1.999	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982233	722126452	/nfs/dbraw/zinc/12/64/52/722126452.db2.gz	WOUFEDGDMAAZNC-LSDHHAIUSA-N	1	1	402.886	1.351	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)n1	ZINC001164971694	722158447	/nfs/dbraw/zinc/15/84/47/722158447.db2.gz	DACJLNKZOZZCOM-MJGOQNOKSA-N	1	1	408.506	1.575	20	0		HDADMO
CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2	ZINC001164990228	722187790	/nfs/dbraw/zinc/18/77/90/722187790.db2.gz	KWANCBZXYZEHJD-GOSISDBHSA-N	1	1	416.570	1.330	20	0		HDADMO
COC(=O)c1cc2c[nH]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)cc-2n1	ZINC001165001892	722236378	/nfs/dbraw/zinc/23/63/78/722236378.db2.gz	OJJDFUNWSOTFQH-UHFFFAOYSA-N	1	1	421.505	1.497	20	0		HDADMO
CC(C)(C(N)=O)N1CCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1	ZINC000429043646	1073460060	/nfs/dbraw/zinc/46/00/60/1073460060.db2.gz	PMZIYSZKNGABCT-GOSISDBHSA-N	1	1	419.595	1.195	20	0		HDADMO
CC(C)(C(N)=O)N1CCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1	ZINC000429043646	1073460066	/nfs/dbraw/zinc/46/00/66/1073460066.db2.gz	PMZIYSZKNGABCT-GOSISDBHSA-N	1	1	419.595	1.195	20	0		HDADMO
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429050194	1073465427	/nfs/dbraw/zinc/46/54/27/1073465427.db2.gz	XORKPHKNTXNQMY-IAGOWNOFSA-N	1	1	413.609	1.684	20	0		HDADMO
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429050194	1073465430	/nfs/dbraw/zinc/46/54/30/1073465430.db2.gz	XORKPHKNTXNQMY-IAGOWNOFSA-N	1	1	413.609	1.684	20	0		HDADMO
CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O	ZINC000429050590	1073471543	/nfs/dbraw/zinc/47/15/43/1073471543.db2.gz	ZCPTUMIKGMJICK-OXQOHEQNSA-N	1	1	404.536	1.441	20	0		HDADMO
CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1=O	ZINC000429050590	1073471545	/nfs/dbraw/zinc/47/15/45/1073471545.db2.gz	ZCPTUMIKGMJICK-OXQOHEQNSA-N	1	1	404.536	1.441	20	0		HDADMO
C[C@H]1C[N@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C[C@H]1O	ZINC000509078329	1073481140	/nfs/dbraw/zinc/48/11/40/1073481140.db2.gz	AETJVFAGJZZQBE-HNAYVOBHSA-N	1	1	407.536	1.063	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C[C@H]1O	ZINC000509078329	1073481145	/nfs/dbraw/zinc/48/11/45/1073481145.db2.gz	AETJVFAGJZZQBE-HNAYVOBHSA-N	1	1	407.536	1.063	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1	ZINC000429055535	1073486249	/nfs/dbraw/zinc/48/62/49/1073486249.db2.gz	VRGIFCCNRKMHDS-IBGZPJMESA-N	1	1	423.579	1.980	20	0		HDADMO
C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C[N@H+]1Cc1ccccc1	ZINC000509099800	1073518641	/nfs/dbraw/zinc/51/86/41/1073518641.db2.gz	XMAVSPLCHPOBMW-QRQLOZEOSA-N	1	1	409.552	1.400	20	0		HDADMO
CCOC(=O)C1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CCOCC1	ZINC000509098378	1073522762	/nfs/dbraw/zinc/52/27/62/1073522762.db2.gz	LBZSUJKHBNONNV-QGZVFWFLSA-N	1	1	417.506	1.682	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1	ZINC000429080053	1073523398	/nfs/dbraw/zinc/52/33/98/1073523398.db2.gz	XLOJXYXZBSAWBK-RDJZCZTQSA-N	1	1	400.483	1.303	20	0		HDADMO
CCOc1ccc(C2(CNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)CCOCC2)cc1	ZINC000671415876	1073576203	/nfs/dbraw/zinc/57/62/03/1073576203.db2.gz	VWDYZDDNKDNHEN-GOSISDBHSA-N	1	1	403.523	1.460	20	0		HDADMO
C[C@@]1(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O	ZINC000673654756	1073580410	/nfs/dbraw/zinc/58/04/10/1073580410.db2.gz	CNLACNQDXHMRKL-AVRDEDQJSA-N	1	1	407.474	1.417	20	0		HDADMO
C[C@@]1(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O	ZINC000673654756	1073580416	/nfs/dbraw/zinc/58/04/16/1073580416.db2.gz	CNLACNQDXHMRKL-AVRDEDQJSA-N	1	1	407.474	1.417	20	0		HDADMO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000429105795	1073591460	/nfs/dbraw/zinc/59/14/60/1073591460.db2.gz	VVLIBYUUVSVMGN-UYAOXDASSA-N	1	1	400.571	1.908	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1	ZINC000673667416	1073619597	/nfs/dbraw/zinc/61/95/97/1073619597.db2.gz	XEGZLNMKRCTFDC-APWZRJJASA-N	1	1	411.506	1.137	20	0		HDADMO
CN(C(=O)c1ccccc1CN1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668866	1073622336	/nfs/dbraw/zinc/62/23/36/1073622336.db2.gz	BKSPWTWVAWTTRC-OAQYLSRUSA-N	1	1	400.567	1.759	20	0		HDADMO
CN(C(=O)c1ccccc1CN1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668866	1073622339	/nfs/dbraw/zinc/62/23/39/1073622339.db2.gz	BKSPWTWVAWTTRC-OAQYLSRUSA-N	1	1	400.567	1.759	20	0		HDADMO
Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(S(N)(=O)=O)c1C	ZINC000673669276	1073622408	/nfs/dbraw/zinc/62/24/08/1073622408.db2.gz	GWXBNPFCKNTDFF-GOSISDBHSA-N	1	1	408.568	1.191	20	0		HDADMO
Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(S(N)(=O)=O)c1C	ZINC000673669276	1073622411	/nfs/dbraw/zinc/62/24/11/1073622411.db2.gz	GWXBNPFCKNTDFF-GOSISDBHSA-N	1	1	408.568	1.191	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCCCN1CCC[N@@H+](C)CC1	ZINC000673669786	1073625316	/nfs/dbraw/zinc/62/53/16/1073625316.db2.gz	BUIFQFZNAAELLP-UHFFFAOYSA-N	1	1	402.543	1.367	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCCC[N@@H+]1CCCN(C)CC1	ZINC000673669786	1073625322	/nfs/dbraw/zinc/62/53/22/1073625322.db2.gz	BUIFQFZNAAELLP-UHFFFAOYSA-N	1	1	402.543	1.367	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCCC[N@H+]1CCCN(C)CC1	ZINC000673669786	1073625325	/nfs/dbraw/zinc/62/53/25/1073625325.db2.gz	BUIFQFZNAAELLP-UHFFFAOYSA-N	1	1	402.543	1.367	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)c1ccccc1Cl	ZINC000642650261	1073636118	/nfs/dbraw/zinc/63/61/18/1073636118.db2.gz	ANYOCOCGYQUBOO-OAHLLOKOSA-N	1	1	404.964	1.960	20	0		HDADMO
O=C(NCCc1nc2ccccc2s1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673703391	1073644906	/nfs/dbraw/zinc/64/49/06/1073644906.db2.gz	PNZQESOQKXFPIN-MRXNPFEDSA-N	1	1	403.552	1.545	20	0		HDADMO
CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000673715694	1073655007	/nfs/dbraw/zinc/65/50/07/1073655007.db2.gz	JKAJJDSCNYRCSA-LJQANCHMSA-N	1	1	416.547	1.869	20	0		HDADMO
C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000673715694	1073655017	/nfs/dbraw/zinc/65/50/17/1073655017.db2.gz	JKAJJDSCNYRCSA-LJQANCHMSA-N	1	1	416.547	1.869	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000673715694	1073655028	/nfs/dbraw/zinc/65/50/28/1073655028.db2.gz	JKAJJDSCNYRCSA-LJQANCHMSA-N	1	1	416.547	1.869	20	0		HDADMO
O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1)NC1CCCC1	ZINC000946684901	1073677022	/nfs/dbraw/zinc/67/70/22/1073677022.db2.gz	USHMWURZIPTUIQ-CBIDSMSBSA-N	1	1	401.551	1.639	20	0		HDADMO
COC(=O)C[C@@](C)(NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccn1	ZINC000509129191	1073680223	/nfs/dbraw/zinc/68/02/23/1073680223.db2.gz	UYHSBIWFQDKFBM-HSZRJFAPSA-N	1	1	410.518	1.794	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000429121858	1073690674	/nfs/dbraw/zinc/69/06/74/1073690674.db2.gz	ICELFPDWWCNAGM-STQMWFEESA-N	1	1	421.972	1.080	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O	ZINC000673750381	1073693504	/nfs/dbraw/zinc/69/35/04/1073693504.db2.gz	OASLRGJCTIFZAL-OAHLLOKOSA-N	1	1	424.505	1.418	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC(CC(=O)NC)CC3)cc2)CC1	ZINC000673761294	1073700661	/nfs/dbraw/zinc/70/06/61/1073700661.db2.gz	WWZYSSGHOMIKHK-UHFFFAOYSA-N	1	1	415.538	1.844	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000509137111	1073701287	/nfs/dbraw/zinc/70/12/87/1073701287.db2.gz	JUCHYWGOTNEHRE-LSBZLQRGSA-N	1	1	407.946	1.547	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1	ZINC000429126029	1073713041	/nfs/dbraw/zinc/71/30/41/1073713041.db2.gz	GYNTVJMGXYRFOF-SFHVURJKSA-N	1	1	404.511	1.780	20	0		HDADMO
C[C@H](CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1	ZINC000673777941	1073734353	/nfs/dbraw/zinc/73/43/53/1073734353.db2.gz	QGZSXZTYRSLDBV-IFMALSPDSA-N	1	1	417.598	1.603	20	0		HDADMO
C[C@H](CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1	ZINC000673777941	1073734362	/nfs/dbraw/zinc/73/43/62/1073734362.db2.gz	QGZSXZTYRSLDBV-IFMALSPDSA-N	1	1	417.598	1.603	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)CC1	ZINC000429134029	1073738829	/nfs/dbraw/zinc/73/88/29/1073738829.db2.gz	JKQKBLFXXIZPTR-HKUYNNGSSA-N	1	1	402.539	1.177	20	0		HDADMO
CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1	ZINC000673788898	1073744214	/nfs/dbraw/zinc/74/42/14/1073744214.db2.gz	DICXPPCJDUMAGN-UHFFFAOYSA-N	1	1	417.554	1.251	20	0		HDADMO
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000673800835	1073749113	/nfs/dbraw/zinc/74/91/13/1073749113.db2.gz	CHZZBRUJOPSZCH-FPOVZHCZSA-N	1	1	405.564	1.925	20	0		HDADMO
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@H](C)O1	ZINC000673810706	1073753942	/nfs/dbraw/zinc/75/39/42/1073753942.db2.gz	CVBPYZNGUMYVMY-UXLLHSPISA-N	1	1	404.515	1.125	20	0		HDADMO
O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000673810388	1073754805	/nfs/dbraw/zinc/75/48/05/1073754805.db2.gz	XVBAGOUDDYGIPR-WMZOPIPTSA-N	1	1	400.479	1.220	20	0		HDADMO
COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(OC)ccc2Br)C1	ZINC000673821314	1073765422	/nfs/dbraw/zinc/76/54/22/1073765422.db2.gz	GOWUOYREZNZGNQ-LBPRGKRZSA-N	1	1	407.330	1.847	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(OC)ccc2Br)C1	ZINC000673821314	1073765424	/nfs/dbraw/zinc/76/54/24/1073765424.db2.gz	GOWUOYREZNZGNQ-LBPRGKRZSA-N	1	1	407.330	1.847	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN1Cc1ccc(F)cc1	ZINC000673839859	1073804347	/nfs/dbraw/zinc/80/43/47/1073804347.db2.gz	HDODZXYCFAVNQN-NHCUHLMSSA-N	1	1	404.530	1.313	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673835084	1073809520	/nfs/dbraw/zinc/80/95/20/1073809520.db2.gz	YFMSPJFYZZJVJI-IBGZPJMESA-N	1	1	408.506	1.401	20	0		HDADMO
CNS(=O)(=O)CCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1	ZINC000429161209	1073873552	/nfs/dbraw/zinc/87/35/52/1073873552.db2.gz	IYSMZGSXGAELFM-UHFFFAOYSA-N	1	1	421.523	1.154	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)CC1	ZINC000429157919	1073875535	/nfs/dbraw/zinc/87/55/35/1073875535.db2.gz	NZCWIIDLDFXVAH-SFHVURJKSA-N	1	1	424.998	1.739	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000429161884	1073883073	/nfs/dbraw/zinc/88/30/73/1073883073.db2.gz	RARDIWFZXGAYOX-QGZVFWFLSA-N	1	1	417.620	1.505	20	0		HDADMO
CN(C)c1cc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c2ccccc2n1	ZINC000466553654	1073889185	/nfs/dbraw/zinc/88/91/85/1073889185.db2.gz	XLNQDEQGMDNIJQ-NRFANRHFSA-N	1	1	401.511	1.183	20	0		HDADMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl	ZINC000673929297	1073899629	/nfs/dbraw/zinc/89/96/29/1073899629.db2.gz	ZMFCJAXESUUAIZ-OAHLLOKOSA-N	1	1	414.959	1.699	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCOc3ccc(OC)cc32)CC1	ZINC000466560509	1073922812	/nfs/dbraw/zinc/92/28/12/1073922812.db2.gz	AABDVMOCGGMMGT-SFHVURJKSA-N	1	1	404.511	1.809	20	0		HDADMO
O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000030289807	1073924456	/nfs/dbraw/zinc/92/44/56/1073924456.db2.gz	ZZFAIKPJVXYYRY-KRWDZBQOSA-N	1	1	401.488	1.379	20	0		HDADMO
CC(C)C[C@@H](CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[NH+]1CCOCC1	ZINC000026064385	1073929309	/nfs/dbraw/zinc/92/93/09/1073929309.db2.gz	MHTAAYCAWDWYNH-KRWDZBQOSA-N	1	1	408.543	1.446	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)Cn2cc3ccccc3n2)cc1	ZINC000673963634	1073945561	/nfs/dbraw/zinc/94/55/61/1073945561.db2.gz	PGYFRSWESOMKFG-UHFFFAOYSA-N	1	1	420.517	1.885	20	0		HDADMO
O=C(C[N@H+](CCO)CCN1CCOCC1)NCc1ccc(-c2ccc(Cl)cc2)o1	ZINC000484409236	1073980391	/nfs/dbraw/zinc/98/03/91/1073980391.db2.gz	LPKJXCOVDSVTFU-UHFFFAOYSA-N	1	1	421.925	1.843	20	0		HDADMO
O=C(C[N@@H+](CCO)CCN1CCOCC1)NCc1ccc(-c2ccc(Cl)cc2)o1	ZINC000484409236	1073980393	/nfs/dbraw/zinc/98/03/93/1073980393.db2.gz	LPKJXCOVDSVTFU-UHFFFAOYSA-N	1	1	421.925	1.843	20	0		HDADMO
CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c(=O)[nH]c1=O	ZINC000429181774	1073987154	/nfs/dbraw/zinc/98/71/54/1073987154.db2.gz	BFZAQFWWTIIVHT-BZNIZROVSA-N	1	1	406.508	1.723	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)ncn1	ZINC000673985139	1074001491	/nfs/dbraw/zinc/00/14/91/1074001491.db2.gz	FCJLVMYVHWLKFJ-FQEVSTJZSA-N	1	1	415.586	1.429	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn3ccc(Br)cc3n2)C1	ZINC000509192244	1074027857	/nfs/dbraw/zinc/02/78/57/1074027857.db2.gz	AWCICTFEVBGXPN-GFCCVEGCSA-N	1	1	408.300	1.414	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@H](C)c2noc(Cc3ccccc3)n2)C1	ZINC000543544914	1074060203	/nfs/dbraw/zinc/06/02/03/1074060203.db2.gz	LVVWPOQWVZGUGA-IEBWSBKVSA-N	1	1	415.538	1.784	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	ZINC000674014876	1074065795	/nfs/dbraw/zinc/06/57/95/1074065795.db2.gz	GSSIYICBDCWRIY-LJQANCHMSA-N	1	1	410.522	1.485	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)NCc1csc(CNC(=O)c2ccccc2)n1	ZINC000429200721	1074070015	/nfs/dbraw/zinc/07/00/15/1074070015.db2.gz	QZELKDHLTUZDCT-UHFFFAOYSA-N	1	1	417.535	1.595	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl	ZINC000543554619	1074082246	/nfs/dbraw/zinc/08/22/46/1074082246.db2.gz	FFRPLOLPNDKKSE-GFCCVEGCSA-N	1	1	402.829	1.672	20	0		HDADMO
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH]c1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543555123	1074083714	/nfs/dbraw/zinc/08/37/14/1074083714.db2.gz	IRXRRLJDWMJTJG-IEBWSBKVSA-N	1	1	412.490	1.830	20	0		HDADMO
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH]c1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543555123	1074083722	/nfs/dbraw/zinc/08/37/22/1074083722.db2.gz	IRXRRLJDWMJTJG-IEBWSBKVSA-N	1	1	412.490	1.830	20	0		HDADMO
C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000509202537	1074087652	/nfs/dbraw/zinc/08/76/52/1074087652.db2.gz	KFALDUFHVFMHAO-BXUZGUMPSA-N	1	1	409.449	1.890	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)NCC(C)(C)S(C)(=O)=O)cc2)CC1	ZINC000674033017	1074102670	/nfs/dbraw/zinc/10/26/70/1074102670.db2.gz	RRDDYWFZWRENEK-UHFFFAOYSA-N	1	1	410.584	1.447	20	0		HDADMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)c1	ZINC000674041790	1074124259	/nfs/dbraw/zinc/12/42/59/1074124259.db2.gz	WDYWHCZORKBKJR-UHFFFAOYSA-N	1	1	420.535	1.933	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)c1	ZINC000509216696	1074156091	/nfs/dbraw/zinc/15/60/91/1074156091.db2.gz	HPWYMKUQCRFQHC-UHFFFAOYSA-N	1	1	420.516	1.883	20	0		HDADMO
CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1	ZINC000543578575	1074162052	/nfs/dbraw/zinc/16/20/52/1074162052.db2.gz	NXYIUPXZOMSSRA-APWZRJJASA-N	1	1	413.522	1.384	20	0		HDADMO
CC[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)C1	ZINC000543580917	1074169737	/nfs/dbraw/zinc/16/97/37/1074169737.db2.gz	VRUJEEHKSKKEIN-DLBZAZTESA-N	1	1	410.584	1.907	20	0		HDADMO
Cn1cc[nH+]c1CC1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1	ZINC000429221532	1074172170	/nfs/dbraw/zinc/17/21/70/1074172170.db2.gz	KBOKBZDMAITWRT-JTDSTZFVSA-N	1	1	405.568	1.927	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1	ZINC000674062256	1074176407	/nfs/dbraw/zinc/17/64/07/1074176407.db2.gz	IWIXHSYEAHRUBF-SFHVURJKSA-N	1	1	417.554	1.403	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC000674135776	1074193234	/nfs/dbraw/zinc/19/32/34/1074193234.db2.gz	FJIOZMGCCKJLPT-OXQOHEQNSA-N	1	1	417.531	1.740	20	0		HDADMO
CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nnc2n1CCCCC2	ZINC000674158198	1074195586	/nfs/dbraw/zinc/19/55/86/1074195586.db2.gz	KPSAUEGRXAYPJT-FUHWJXTLSA-N	1	1	403.575	1.923	20	0		HDADMO
CC[C@@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2	ZINC000674158198	1074195589	/nfs/dbraw/zinc/19/55/89/1074195589.db2.gz	KPSAUEGRXAYPJT-FUHWJXTLSA-N	1	1	403.575	1.923	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)C1	ZINC001545674872	1074222482	/nfs/dbraw/zinc/22/24/82/1074222482.db2.gz	MSOMTOCUSKDAPV-INIZCTEOSA-N	1	1	410.526	1.183	20	0		HDADMO
CC(=O)N(c1nc(CNCC(=O)N2CC[NH+](C)CC2)cs1)c1ccc(C)cc1	ZINC000674237306	1074233952	/nfs/dbraw/zinc/23/39/52/1074233952.db2.gz	GJUGOZFHOSXXOD-UHFFFAOYSA-N	1	1	401.536	2.000	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)nc(C)[nH+]1	ZINC000674230287	1074236874	/nfs/dbraw/zinc/23/68/74/1074236874.db2.gz	VXRUQFZPWUKASR-UHFFFAOYSA-N	1	1	424.461	1.148	20	0		HDADMO
CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1	ZINC000674262344	1074248080	/nfs/dbraw/zinc/24/80/80/1074248080.db2.gz	UYECHTDSSCKXTH-HXUWFJFHSA-N	1	1	409.486	1.857	20	0		HDADMO
CNC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1	ZINC000674262344	1074248086	/nfs/dbraw/zinc/24/80/86/1074248086.db2.gz	UYECHTDSSCKXTH-HXUWFJFHSA-N	1	1	409.486	1.857	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000674270415	1074251088	/nfs/dbraw/zinc/25/10/88/1074251088.db2.gz	DCABEPRZJCHNBA-UHFFFAOYSA-N	1	1	400.508	1.934	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000674294533	1074257980	/nfs/dbraw/zinc/25/79/80/1074257980.db2.gz	GXZPPYPTPFGXBZ-PZJWPPBQSA-N	1	1	424.586	1.153	20	0		HDADMO
CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C12CCCCC2	ZINC000674295628	1074261914	/nfs/dbraw/zinc/26/19/14/1074261914.db2.gz	OJALRGDWEHHODW-SLFFLAALSA-N	1	1	408.587	1.820	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@@H+](C)C[C@H](O)C3CC3)CC2)cc1OC	ZINC000674313412	1074269936	/nfs/dbraw/zinc/26/99/36/1074269936.db2.gz	DOQDMGYZNNOXBU-IBGZPJMESA-N	1	1	405.539	1.359	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCC(C)(C)S(C)(=O)=O)cc2)CC1	ZINC000674318767	1074279899	/nfs/dbraw/zinc/27/98/99/1074279899.db2.gz	HWVGLOJQEODRPI-UHFFFAOYSA-N	1	1	424.567	1.338	20	0		HDADMO
COCC(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1	ZINC000674332817	1074286727	/nfs/dbraw/zinc/28/67/27/1074286727.db2.gz	UWPQMUQQEDAFOZ-PXNSSMCTSA-N	1	1	402.539	1.976	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)C3Cc4ccccc4C3)CC2)CC1	ZINC000674343390	1074287943	/nfs/dbraw/zinc/28/79/43/1074287943.db2.gz	WHSVBDHDESMTRO-UHFFFAOYSA-N	1	1	405.564	1.360	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1C(=O)N(C)C	ZINC000674405423	1074315914	/nfs/dbraw/zinc/31/59/14/1074315914.db2.gz	AFAQPGRZAGJUOC-SFHVURJKSA-N	1	1	416.522	1.349	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl	ZINC000674407057	1074316202	/nfs/dbraw/zinc/31/62/02/1074316202.db2.gz	YBMLOTFVMJGLJY-VIFPVBQESA-N	1	1	421.698	1.542	20	0		HDADMO
CC[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[N@H+]1CCc2ccccc2C1	ZINC000674423941	1074326286	/nfs/dbraw/zinc/32/62/86/1074326286.db2.gz	FFSIBEIFCSWAJM-LJQANCHMSA-N	1	1	408.568	1.500	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1=O	ZINC000674437913	1074335552	/nfs/dbraw/zinc/33/55/52/1074335552.db2.gz	FKPMTGJBOVXVLR-XMSQKQJNSA-N	1	1	413.522	1.624	20	0		HDADMO
C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000429230621	1074369064	/nfs/dbraw/zinc/36/90/64/1074369064.db2.gz	XJOSFJSRRFWYPP-HNNXBMFYSA-N	1	1	414.485	1.174	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O	ZINC000674473026	1074370581	/nfs/dbraw/zinc/37/05/81/1074370581.db2.gz	RCFZNVITMSWIAI-CQSZACIVSA-N	1	1	409.284	1.746	20	0		HDADMO
COC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000674479744	1074379320	/nfs/dbraw/zinc/37/93/20/1074379320.db2.gz	VDLFUDUBIXHINF-RBUKOAKNSA-N	1	1	416.522	1.429	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)CCN3CCCS3(=O)=O)cc2)C[C@H](C)O1	ZINC000674503318	1074398289	/nfs/dbraw/zinc/39/82/89/1074398289.db2.gz	RWNJMPPDLBVUDN-CALCHBBNSA-N	1	1	409.552	1.403	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)CCN3CCCS3(=O)=O)cc2)C[C@H](C)O1	ZINC000674503318	1074398297	/nfs/dbraw/zinc/39/82/97/1074398297.db2.gz	RWNJMPPDLBVUDN-CALCHBBNSA-N	1	1	409.552	1.403	20	0		HDADMO
COc1ccc([C@@H](CNC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c2c[nH]c3ccccc32)cc1	ZINC000674497835	1074409100	/nfs/dbraw/zinc/40/91/00/1074409100.db2.gz	LOBOMKWMGMGGTB-LVCYWYKZSA-N	1	1	423.513	1.852	20	0		HDADMO
COc1ccc([C@@H](CNC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c2c[nH]c3ccccc32)cc1	ZINC000674497835	1074409106	/nfs/dbraw/zinc/40/91/06/1074409106.db2.gz	LOBOMKWMGMGGTB-LVCYWYKZSA-N	1	1	423.513	1.852	20	0		HDADMO
C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674515867	1074412529	/nfs/dbraw/zinc/41/25/29/1074412529.db2.gz	GQSQUEJKGGWODX-FUHWJXTLSA-N	1	1	422.595	1.325	20	0		HDADMO
C[C@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674515867	1074412533	/nfs/dbraw/zinc/41/25/33/1074412533.db2.gz	GQSQUEJKGGWODX-FUHWJXTLSA-N	1	1	422.595	1.325	20	0		HDADMO
COc1cc(CCC(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc(OC)c1O	ZINC001626101791	1074415843	/nfs/dbraw/zinc/41/58/43/1074415843.db2.gz	TYSBCRKAXSSQGE-UHFFFAOYSA-N	1	1	408.495	1.340	20	0		HDADMO
C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC001626102407	1074416268	/nfs/dbraw/zinc/41/62/68/1074416268.db2.gz	ZRPSUMQIYOTUBR-BZSNNMDCSA-N	1	1	405.543	1.652	20	0		HDADMO
C[C@@H]1[C@H](CCC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H](C)Nc2ccnn21	ZINC001626102410	1074416342	/nfs/dbraw/zinc/41/63/42/1074416342.db2.gz	ZRPSUMQIYOTUBR-RCCFBDPRSA-N	1	1	405.543	1.652	20	0		HDADMO
C[C@@H]1[C@@H](CCC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H](C)Nc2ccnn21	ZINC001626102408	1074416480	/nfs/dbraw/zinc/41/64/80/1074416480.db2.gz	ZRPSUMQIYOTUBR-KSZLIROESA-N	1	1	405.543	1.652	20	0		HDADMO
CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC001273134455	1074417761	/nfs/dbraw/zinc/41/77/61/1074417761.db2.gz	RGKULZKDZZULCN-WBVHZDCISA-N	1	1	421.485	1.885	20	0		HDADMO
Cc1c(C(=O)NCC2(CS(C)(=O)=O)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674523212	1074418225	/nfs/dbraw/zinc/41/82/25/1074418225.db2.gz	TVBIYZGAMXQLNV-UHFFFAOYSA-N	1	1	417.535	1.118	20	0		HDADMO
CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC001273134452	1074419019	/nfs/dbraw/zinc/41/90/19/1074419019.db2.gz	RGKULZKDZZULCN-RDJZCZTQSA-N	1	1	421.485	1.885	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)C1	ZINC000674516778	1074419225	/nfs/dbraw/zinc/41/92/25/1074419225.db2.gz	WAESGNRGSZNZTE-HOTGVXAUSA-N	1	1	405.495	1.284	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)C[C@@H]2C)CC1	ZINC000674546370	1074427354	/nfs/dbraw/zinc/42/73/54/1074427354.db2.gz	BXQGSRSNNQPJAU-SQGPQFPESA-N	1	1	400.523	1.124	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2	ZINC000674624712	1074491866	/nfs/dbraw/zinc/49/18/66/1074491866.db2.gz	ARHILKYNHDXSGV-IBGZPJMESA-N	1	1	409.534	1.896	20	0		HDADMO
O=C(NCc1c(F)c(F)cc(F)c1F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674631058	1074495010	/nfs/dbraw/zinc/49/50/10/1074495010.db2.gz	LBWMAYQFJYRPBE-LBPRGKRZSA-N	1	1	404.408	1.449	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCc1ccccc1)[C@@H]1CCOC1	ZINC000674631785	1074495955	/nfs/dbraw/zinc/49/59/55/1074495955.db2.gz	VCDUQJAAQWDQEN-FCHUYYIVSA-N	1	1	416.566	1.436	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](OC)C3(C)C)cc2)CC1	ZINC000674682746	1074522878	/nfs/dbraw/zinc/52/28/78/1074522878.db2.gz	WIZUGXJFRDXOGS-MSOLQXFVSA-N	1	1	416.522	1.333	20	0		HDADMO
Cc1oc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1S(=O)(=O)N(C)C	ZINC000674685074	1074523232	/nfs/dbraw/zinc/52/32/32/1074523232.db2.gz	RRNSXANDSVJXRC-MRXNPFEDSA-N	1	1	412.556	1.079	20	0		HDADMO
Cc1oc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1S(=O)(=O)N(C)C	ZINC000674685074	1074523240	/nfs/dbraw/zinc/52/32/40/1074523240.db2.gz	RRNSXANDSVJXRC-MRXNPFEDSA-N	1	1	412.556	1.079	20	0		HDADMO
CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(F)c1	ZINC000674673262	1074524996	/nfs/dbraw/zinc/52/49/96/1074524996.db2.gz	FSLFWJIPJFJDQK-RTBURBONSA-N	1	1	408.518	1.689	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)C[C@H]1C	ZINC000674714752	1074533790	/nfs/dbraw/zinc/53/37/90/1074533790.db2.gz	AMOQVEQZLCUCBD-QAPCUYQASA-N	1	1	401.511	1.952	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1	ZINC000674778544	1074553904	/nfs/dbraw/zinc/55/39/04/1074553904.db2.gz	LBGOXOMVTWJWTP-RDTXWAMCSA-N	1	1	421.492	1.538	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1	ZINC000674778544	1074553908	/nfs/dbraw/zinc/55/39/08/1074553908.db2.gz	LBGOXOMVTWJWTP-RDTXWAMCSA-N	1	1	421.492	1.538	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1	ZINC000674762013	1074555662	/nfs/dbraw/zinc/55/56/62/1074555662.db2.gz	FBCSEQBGUGCMBT-UHFFFAOYSA-N	1	1	419.489	1.644	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000674764322	1074557478	/nfs/dbraw/zinc/55/74/78/1074557478.db2.gz	AAUWCUHMZGUUBI-LJQANCHMSA-N	1	1	413.522	1.887	20	0		HDADMO
COc1ccc(OC)c(-c2csc(NC(=O)CN3CC[NH+](CCO)CC3)n2)c1	ZINC000674766114	1074560088	/nfs/dbraw/zinc/56/00/88/1074560088.db2.gz	KMRAVECVWWNAMK-UHFFFAOYSA-N	1	1	406.508	1.376	20	0		HDADMO
CCCC[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000674798234	1074569818	/nfs/dbraw/zinc/56/98/18/1074569818.db2.gz	GCFVENAOUYMBFO-UHFFFAOYSA-N	1	1	423.988	1.329	20	0		HDADMO
Cc1ccc(N2CCC(C(=O)N3CCN([C@@H](C)C(=O)N4CCCC4)CC3)CC2)[nH+]c1	ZINC000674842495	1074589752	/nfs/dbraw/zinc/58/97/52/1074589752.db2.gz	DNEVCYVNXQUXHJ-IBGZPJMESA-N	1	1	413.566	1.762	20	0		HDADMO
COc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)N3CC[NH+](C)CC3)s2)cc1	ZINC000674905737	1074608216	/nfs/dbraw/zinc/60/82/16/1074608216.db2.gz	ZIJWVWPIDYUBOP-UHFFFAOYSA-N	1	1	402.520	1.973	20	0		HDADMO
CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000674893629	1074609562	/nfs/dbraw/zinc/60/95/62/1074609562.db2.gz	AEQAIWVMHCBODP-QGZVFWFLSA-N	1	1	415.538	1.094	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1	ZINC000674893030	1074610077	/nfs/dbraw/zinc/61/00/77/1074610077.db2.gz	TZBCWUREYDXSSN-QAPCUYQASA-N	1	1	421.492	1.492	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH+]1CCC(OCCCO)CC1	ZINC000674912987	1074619798	/nfs/dbraw/zinc/61/97/98/1074619798.db2.gz	SCKDXOWPVIUOKD-UHFFFAOYSA-N	1	1	424.567	1.670	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(OCCCO)CC3)c2)CCO1	ZINC000674974211	1074649649	/nfs/dbraw/zinc/64/96/49/1074649649.db2.gz	HSYXZSUOZXYMPR-SFHVURJKSA-N	1	1	405.539	1.980	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(OCCCO)CC3)c2)CCO1	ZINC000674974211	1074649654	/nfs/dbraw/zinc/64/96/54/1074649654.db2.gz	HSYXZSUOZXYMPR-SFHVURJKSA-N	1	1	405.539	1.980	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1	ZINC000674979830	1074652330	/nfs/dbraw/zinc/65/23/30/1074652330.db2.gz	IYQXSINYPOBEDO-WOJBJXKFSA-N	1	1	416.522	1.876	20	0		HDADMO
CC(C)c1cc(NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)no1	ZINC000490349776	1074659313	/nfs/dbraw/zinc/65/93/13/1074659313.db2.gz	ZLOYTMYVPNSHLL-UHFFFAOYSA-N	1	1	406.405	1.850	20	0		HDADMO
CC(C)n1cc(NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cn1	ZINC000674992997	1074668892	/nfs/dbraw/zinc/66/88/92/1074668892.db2.gz	OPZYLKVOMDJLIP-UHFFFAOYSA-N	1	1	405.421	1.516	20	0		HDADMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000766088708	1074682611	/nfs/dbraw/zinc/68/26/11/1074682611.db2.gz	OZXDVTLLHMCGDB-LBPRGKRZSA-N	1	1	410.312	1.780	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O	ZINC000675002469	1074683293	/nfs/dbraw/zinc/68/32/93/1074683293.db2.gz	FDTZKHHKHPNGQH-QZTJIDSGSA-N	1	1	415.538	1.222	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@]4(CCOC4)C3)cc2)CC1	ZINC000675002349	1074683304	/nfs/dbraw/zinc/68/33/04/1074683304.db2.gz	AYJVJHJCSQLESB-QFIPXVFZSA-N	1	1	414.506	1.042	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)c2ccc(N3CCOCC3)nc2)CC1=O	ZINC000543611818	1074697368	/nfs/dbraw/zinc/69/73/68/1074697368.db2.gz	RZMNAHOIQOFGGF-PKOBYXMFSA-N	1	1	415.538	1.214	20	0		HDADMO
C[C@@H](CNC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)C[NH+]1CCOCC1	ZINC000429315276	1074700925	/nfs/dbraw/zinc/70/09/25/1074700925.db2.gz	JBQOGGGMGVTKIU-AZUAARDMSA-N	1	1	402.539	1.488	20	0		HDADMO
O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000507223585	1074712594	/nfs/dbraw/zinc/71/25/94/1074712594.db2.gz	ILXNLNOIWPNIGV-UHFFFAOYSA-N	1	1	414.535	1.684	20	0		HDADMO
COCCSc1ccc([C@H](C)NC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1	ZINC000509309025	1074715462	/nfs/dbraw/zinc/71/54/62/1074715462.db2.gz	AFUCVEWBABONNJ-INIZCTEOSA-N	1	1	408.568	1.949	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1	ZINC000675103083	1074719622	/nfs/dbraw/zinc/71/96/22/1074719622.db2.gz	IFGIBCKYMQAVKQ-HJNYFJLDSA-N	1	1	415.582	1.355	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1	ZINC000675103083	1074719631	/nfs/dbraw/zinc/71/96/31/1074719631.db2.gz	IFGIBCKYMQAVKQ-HJNYFJLDSA-N	1	1	415.582	1.355	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CCN2C1=O	ZINC000675108145	1074723843	/nfs/dbraw/zinc/72/38/43/1074723843.db2.gz	MSDAIWOWBFUMQF-WDSOQIARSA-N	1	1	413.522	1.717	20	0		HDADMO
CC(C)CC[C@@H](C)NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000670492439	1074724536	/nfs/dbraw/zinc/72/45/36/1074724536.db2.gz	XZEPIAAUEQKCJQ-QGZVFWFLSA-N	1	1	402.539	1.631	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1	ZINC000466665035	1074726177	/nfs/dbraw/zinc/72/61/77/1074726177.db2.gz	MYUWGHZOGGQGFY-CALCHBBNSA-N	1	1	409.552	1.338	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1COc2c1cccc2Cl	ZINC000675118791	1074727111	/nfs/dbraw/zinc/72/71/11/1074727111.db2.gz	WZUSTNDPXCDEFO-IAGOWNOFSA-N	1	1	407.898	1.603	20	0		HDADMO
COc1ccc(C(C)(C)C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1OC	ZINC000675137031	1074728478	/nfs/dbraw/zinc/72/84/78/1074728478.db2.gz	MLDMQJORJQFBQW-QGZVFWFLSA-N	1	1	403.523	1.922	20	0		HDADMO
O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000556206312	1074730477	/nfs/dbraw/zinc/73/04/77/1074730477.db2.gz	KYGNIIIUALRHEE-CYBMUJFWSA-N	1	1	413.444	1.619	20	0		HDADMO
Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc12	ZINC000675126852	1074731674	/nfs/dbraw/zinc/73/16/74/1074731674.db2.gz	PJETUEDZXFILGB-RDTXWAMCSA-N	1	1	406.490	1.994	20	0		HDADMO
O=C(CN1CC[NH+](CC[C@@H]2CCOC2=O)CC1)Nc1ccc(Br)cc1	ZINC000766159561	1074740302	/nfs/dbraw/zinc/74/03/02/1074740302.db2.gz	ITZBBIGCMMRLJK-CQSZACIVSA-N	1	1	410.312	1.958	20	0		HDADMO
Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)C2=O)cc1	ZINC000675189543	1074752742	/nfs/dbraw/zinc/75/27/42/1074752742.db2.gz	PHGJYWZLRPWLIC-RBUKOAKNSA-N	1	1	400.523	1.011	20	0		HDADMO
Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)C2=O)cc1	ZINC000675189543	1074752748	/nfs/dbraw/zinc/75/27/48/1074752748.db2.gz	PHGJYWZLRPWLIC-RBUKOAKNSA-N	1	1	400.523	1.011	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)nn1CCCOc1ccc(F)cc1	ZINC000504030237	1074753380	/nfs/dbraw/zinc/75/33/80/1074753380.db2.gz	IYBMOIPDRBASKB-INIZCTEOSA-N	1	1	417.485	1.806	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000543615593	1074753929	/nfs/dbraw/zinc/75/39/29/1074753929.db2.gz	ZVOPCSGIRPBDOE-SJORKVTESA-N	1	1	402.543	1.711	20	0		HDADMO
CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1=O	ZINC000429322282	1074754534	/nfs/dbraw/zinc/75/45/34/1074754534.db2.gz	JSRFNCXWXIIIHJ-OTWHNJEPSA-N	1	1	402.539	1.568	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000429244398	1074757088	/nfs/dbraw/zinc/75/70/88/1074757088.db2.gz	GBEMQAJOUXLDDF-UHFFFAOYSA-N	1	1	417.959	1.530	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000675219908	1074761820	/nfs/dbraw/zinc/76/18/20/1074761820.db2.gz	SIMGZIMQXKGBCX-IBGZPJMESA-N	1	1	421.563	1.167	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1	ZINC000675225003	1074763959	/nfs/dbraw/zinc/76/39/59/1074763959.db2.gz	RIHVASGPPGTCLD-SFHVURJKSA-N	1	1	400.458	1.020	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429326488	1074777165	/nfs/dbraw/zinc/77/71/65/1074777165.db2.gz	IHVJOAZTWVEUCU-QZTJIDSGSA-N	1	1	401.555	1.896	20	0		HDADMO
CO[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ccccc1	ZINC000509320858	1074782445	/nfs/dbraw/zinc/78/24/45/1074782445.db2.gz	SYLBJXPCYSNJDJ-OAQYLSRUSA-N	1	1	402.539	1.071	20	0		HDADMO
CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCN(S(C)(=O)=O)CC1	ZINC000675274022	1074782770	/nfs/dbraw/zinc/78/27/70/1074782770.db2.gz	YIZZBYULTTWASN-IBGZPJMESA-N	1	1	422.595	1.964	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1)[NH+]1CCOCC1	ZINC000554748418	1074784275	/nfs/dbraw/zinc/78/42/75/1074784275.db2.gz	AGIXNVROVVUREX-VQIMIIECSA-N	1	1	419.570	2.354	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3C=CCCC3)c2)CC1	ZINC000466670340	1074794076	/nfs/dbraw/zinc/79/40/76/1074794076.db2.gz	JBOSJTDSWYHRHF-INIZCTEOSA-N	1	1	420.535	1.176	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3C=CCCC3)c2)CC1	ZINC000466670340	1074794079	/nfs/dbraw/zinc/79/40/79/1074794079.db2.gz	JBOSJTDSWYHRHF-INIZCTEOSA-N	1	1	420.535	1.176	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)Nc1ccn(CC(F)F)n1	ZINC000444511290	1074796807	/nfs/dbraw/zinc/79/68/07/1074796807.db2.gz	WFRFWTOSTQAULN-CYBMUJFWSA-N	1	1	411.478	2.177	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000582452942	1074797150	/nfs/dbraw/zinc/79/71/50/1074797150.db2.gz	MESUDMYYCJQFJU-HXUWFJFHSA-N	1	1	424.549	2.426	20	0		HDADMO
Cc1cc(NC(=O)C2CCN(C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)CC2)no1	ZINC000612336622	1074809829	/nfs/dbraw/zinc/80/98/29/1074809829.db2.gz	WEGQVSNCLLBCGL-GOSISDBHSA-N	1	1	420.558	1.615	20	0		HDADMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@H]21	ZINC000766108695	1074812936	/nfs/dbraw/zinc/81/29/36/1074812936.db2.gz	KWERAVGLVFJLBA-XHDPSFHLSA-N	1	1	416.341	1.653	20	0		HDADMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1ccn(Cc2ccncc2)n1	ZINC000579028397	1074815616	/nfs/dbraw/zinc/81/56/16/1074815616.db2.gz	HEFORKUTTLRMKF-HXUWFJFHSA-N	1	1	406.490	2.215	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000142930138	1074815630	/nfs/dbraw/zinc/81/56/30/1074815630.db2.gz	PMKDMJJKQADIAB-INIZCTEOSA-N	1	1	417.531	1.793	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000142930138	1074815634	/nfs/dbraw/zinc/81/56/34/1074815634.db2.gz	PMKDMJJKQADIAB-INIZCTEOSA-N	1	1	417.531	1.793	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC[C@H]21	ZINC000766114330	1074821207	/nfs/dbraw/zinc/82/12/07/1074821207.db2.gz	SLVHBECDDFHEAJ-IUODEOHRSA-N	1	1	413.490	1.962	20	0		HDADMO
COc1ncnc(N(C)C)c1NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000429335736	1075105210	/nfs/dbraw/zinc/10/52/10/1075105210.db2.gz	ZBWZYBAMEDVJRY-NRFANRHFSA-N	1	1	414.510	1.652	20	0		HDADMO
CCOCCCNC(=O)C1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000041622952	1075118101	/nfs/dbraw/zinc/11/81/01/1075118101.db2.gz	AIEKZEJKDZDDHU-GOSISDBHSA-N	1	1	419.522	1.197	20	0		HDADMO
COc1cccc([C@H](O)C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc2ccccc2)c1	ZINC000766120272	1075123813	/nfs/dbraw/zinc/12/38/13/1075123813.db2.gz	LTXNBOZQYNNGMN-LAUBAEHRSA-N	1	1	413.518	1.824	20	0		HDADMO
COc1cccc([C@H](O)C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc2ccccc2)c1	ZINC000766120272	1075123817	/nfs/dbraw/zinc/12/38/17/1075123817.db2.gz	LTXNBOZQYNNGMN-LAUBAEHRSA-N	1	1	413.518	1.824	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)C1	ZINC000675394641	1075124975	/nfs/dbraw/zinc/12/49/75/1075124975.db2.gz	KHOWTXJCFRCOKD-IEBWSBKVSA-N	1	1	413.522	1.904	20	0		HDADMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCCC[C@H]2CNC(N)=O)cn1	ZINC000509244395	1075125001	/nfs/dbraw/zinc/12/50/01/1075125001.db2.gz	CJGRFMBKMMIPKR-HBMCJLEFSA-N	1	1	424.549	1.685	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@H]3CCOC3)CC2)C1	ZINC000675401497	1075127143	/nfs/dbraw/zinc/12/71/43/1075127143.db2.gz	AQWPSBCEEPYWSR-MSOLQXFVSA-N	1	1	416.522	1.031	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@H+]1Cc1ccccc1	ZINC000466676532	1075129634	/nfs/dbraw/zinc/12/96/34/1075129634.db2.gz	AYWZQJJLUYTNEZ-YJBOKZPZSA-N	1	1	405.462	1.380	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)C[C@H]3CCOC3)cc2)CC1	ZINC000675406065	1075130572	/nfs/dbraw/zinc/13/05/72/1075130572.db2.gz	ASCHKROQFFRARC-DLBZAZTESA-N	1	1	416.522	1.334	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1	ZINC000675405757	1075130668	/nfs/dbraw/zinc/13/06/68/1075130668.db2.gz	GOOUYAATCLHLMA-ROUUACIJSA-N	1	1	411.506	1.612	20	0		HDADMO
O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000675433510	1075144353	/nfs/dbraw/zinc/14/43/53/1075144353.db2.gz	UQTHVIKLYVZHFE-PBFPGSCMSA-N	1	1	422.888	1.444	20	0		HDADMO
COc1nc(C)cc(C)c1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000670526903	1075149310	/nfs/dbraw/zinc/14/93/10/1075149310.db2.gz	JNHCDFQCGJDLDS-UHFFFAOYSA-N	1	1	418.538	1.475	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN3C(=O)NC(C)C)cc2)CC1	ZINC000675446307	1075149971	/nfs/dbraw/zinc/14/99/71/1075149971.db2.gz	PRZGZJHAJFLBER-IBGZPJMESA-N	1	1	415.538	1.985	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H](C(F)(F)F)O1	ZINC000670527002	1075154337	/nfs/dbraw/zinc/15/43/37/1075154337.db2.gz	FXDHMMUSLBLNRP-CABCVRRESA-N	1	1	421.460	1.316	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1	ZINC000670527010	1075154719	/nfs/dbraw/zinc/15/47/19/1075154719.db2.gz	GGUCCBDSKWVISF-KRWDZBQOSA-N	1	1	403.527	1.267	20	0		HDADMO
O=C(Nc1ccn(-c2ccccc2)n1)C(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000589799786	1075155781	/nfs/dbraw/zinc/15/57/81/1075155781.db2.gz	BECMSYAMTYCTDA-UHFFFAOYSA-N	1	1	403.486	2.198	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cccc(F)c3)C[C@@H]2C)C1	ZINC000429253190	1075157303	/nfs/dbraw/zinc/15/73/03/1075157303.db2.gz	APDYADNZYAFEHD-GHTZIAJQSA-N	1	1	406.546	1.809	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1-n1cnnn1	ZINC000466679336	1075158903	/nfs/dbraw/zinc/15/89/03/1075158903.db2.gz	BDJUEURVADNWCF-QFBILLFUSA-N	1	1	419.489	1.688	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)cc(OC)c1	ZINC000429348231	1075160770	/nfs/dbraw/zinc/16/07/70/1075160770.db2.gz	ZJHKGIMNXUKOEQ-DLBZAZTESA-N	1	1	418.538	1.977	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)cc(OC)c1	ZINC000429348231	1075160771	/nfs/dbraw/zinc/16/07/71/1075160771.db2.gz	ZJHKGIMNXUKOEQ-DLBZAZTESA-N	1	1	418.538	1.977	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466681202	1075168997	/nfs/dbraw/zinc/16/89/97/1075168997.db2.gz	NJOLDLMVATZKMX-APWZRJJASA-N	1	1	421.501	1.934	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1	ZINC000766143497	1075169548	/nfs/dbraw/zinc/16/95/48/1075169548.db2.gz	DTVHRJYGGKLZFA-INIZCTEOSA-N	1	1	421.452	1.002	20	0		HDADMO
COC[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(Cl)cc1	ZINC000675477385	1075169974	/nfs/dbraw/zinc/16/99/74/1075169974.db2.gz	RTECMZCOKURENW-RBUKOAKNSA-N	1	1	422.957	1.382	20	0		HDADMO
COC[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(Cl)cc1	ZINC000675477384	1075170046	/nfs/dbraw/zinc/17/00/46/1075170046.db2.gz	RTECMZCOKURENW-OALUTQOASA-N	1	1	422.957	1.382	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C	ZINC000472409904	1075171341	/nfs/dbraw/zinc/17/13/41/1075171341.db2.gz	IKDMCVPMSSUEOJ-MJGOQNOKSA-N	1	1	413.522	1.966	20	0		HDADMO
CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccn1	ZINC000766148386	1075174996	/nfs/dbraw/zinc/17/49/96/1075174996.db2.gz	NRLFXJXHCBKVBB-QZTJIDSGSA-N	1	1	404.511	1.778	20	0		HDADMO
O=C(Nc1ccn(CC(F)F)n1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000428880714	1075181611	/nfs/dbraw/zinc/18/16/11/1075181611.db2.gz	KEJNMTBYADEHOE-UHFFFAOYSA-N	1	1	408.453	2.300	20	0		HDADMO
Cc1cc(NC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nnc1C	ZINC000467473738	1075182294	/nfs/dbraw/zinc/18/22/94/1075182294.db2.gz	SSJLFYKVWWRUGI-UHFFFAOYSA-N	1	1	412.494	2.076	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2-n2cccn2)C[N@H+]1Cc1ccccc1	ZINC000466683941	1075183201	/nfs/dbraw/zinc/18/32/01/1075183201.db2.gz	PTGZJKMXGAOLBM-AEFFLSMTSA-N	1	1	404.474	1.985	20	0		HDADMO
CC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675517612	1075184307	/nfs/dbraw/zinc/18/43/07/1075184307.db2.gz	NIPUQDSVTQFHAI-ZWKOTPCHSA-N	1	1	411.568	1.500	20	0		HDADMO
CC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675517612	1075184308	/nfs/dbraw/zinc/18/43/08/1075184308.db2.gz	NIPUQDSVTQFHAI-ZWKOTPCHSA-N	1	1	411.568	1.500	20	0		HDADMO
CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500946	1075185258	/nfs/dbraw/zinc/18/52/58/1075185258.db2.gz	QQIKRRGNGFCERV-SLFFLAALSA-N	1	1	423.579	1.596	20	0		HDADMO
CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500946	1075185259	/nfs/dbraw/zinc/18/52/59/1075185259.db2.gz	QQIKRRGNGFCERV-SLFFLAALSA-N	1	1	423.579	1.596	20	0		HDADMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CCC(S(C)(=O)=O)CC3)CC2)cc1	ZINC000675504105	1075186220	/nfs/dbraw/zinc/18/62/20/1075186220.db2.gz	WINGIZFBOFPJHI-UHFFFAOYSA-N	1	1	421.607	1.963	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446876917	1075187187	/nfs/dbraw/zinc/18/71/87/1075187187.db2.gz	VXJWCAJGBJHJFZ-MRXNPFEDSA-N	1	1	405.449	2.210	20	0		HDADMO
CN(C)C(=O)CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000675535683	1075193791	/nfs/dbraw/zinc/19/37/91/1075193791.db2.gz	JZGDDQFNMANYLA-NRFANRHFSA-N	1	1	415.582	1.704	20	0		HDADMO
Cc1cc(F)ccc1CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000675562553	1075203705	/nfs/dbraw/zinc/20/37/05/1075203705.db2.gz	IFJSDDNGIKJKGW-WCRBZPEASA-N	1	1	416.541	1.562	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[N@H+]1Cc1ccccc1	ZINC000466686414	1075205839	/nfs/dbraw/zinc/20/58/39/1075205839.db2.gz	MVNLZWNZWUCLQV-YOEHRIQHSA-N	1	1	416.503	1.203	20	0		HDADMO
C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1nc(Cc2ccccc2)no1	ZINC000429360053	1075210940	/nfs/dbraw/zinc/21/09/40/1075210940.db2.gz	FCHKQIAHZXFCKU-HOCLYGCPSA-N	1	1	400.483	1.360	20	0		HDADMO
CCN(CC1CCC1)C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000485054849	1075211588	/nfs/dbraw/zinc/21/15/88/1075211588.db2.gz	NEPCSNRWCGLLLG-UHFFFAOYSA-N	1	1	400.483	1.934	20	0		HDADMO
C[C@H]1CN(CC(=O)NCc2ccccc2CN2CCOCC2)CC[N@H+](C2CCC2)C1	ZINC000429359942	1075211593	/nfs/dbraw/zinc/21/15/93/1075211593.db2.gz	FJVKTBYHGDKLKA-FQEVSTJZSA-N	1	1	414.594	1.941	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675580740	1075212067	/nfs/dbraw/zinc/21/20/67/1075212067.db2.gz	SDWQBMNZJONDDX-UXHICEINSA-N	1	1	405.587	1.589	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)no1	ZINC000465362713	1075212453	/nfs/dbraw/zinc/21/24/53/1075212453.db2.gz	GPGPENHRWTXJIR-CYBMUJFWSA-N	1	1	419.507	2.182	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000804219400	1075214022	/nfs/dbraw/zinc/21/40/22/1075214022.db2.gz	XDFQUHULMVXJDR-KKSFZXQISA-N	1	1	410.559	1.692	20	0		HDADMO
CC[N@H+](CCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)CCC(F)(F)F	ZINC000426459133	1075214107	/nfs/dbraw/zinc/21/41/07/1075214107.db2.gz	KEJNTTMGNWKOIJ-UHFFFAOYSA-N	1	1	404.437	2.112	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)CCC(F)(F)F	ZINC000426459133	1075214110	/nfs/dbraw/zinc/21/41/10/1075214110.db2.gz	KEJNTTMGNWKOIJ-UHFFFAOYSA-N	1	1	404.437	2.112	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000675584682	1075214306	/nfs/dbraw/zinc/21/43/06/1075214306.db2.gz	HUGCCBKCPNEXDN-SFHVURJKSA-N	1	1	419.526	1.152	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000675584616	1075214701	/nfs/dbraw/zinc/21/47/01/1075214701.db2.gz	DPGNCRJWUCPTGT-IAGOWNOFSA-N	1	1	401.467	1.547	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[NH+]1CCOCC1	ZINC000675585728	1075215469	/nfs/dbraw/zinc/21/54/69/1075215469.db2.gz	NYKJTHVPNVAFMU-RTBURBONSA-N	1	1	421.542	1.254	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(CC2CC2)c1)[NH+]1CCN(c2ccccc2)CC1	ZINC000675585862	1075215475	/nfs/dbraw/zinc/21/54/75/1075215475.db2.gz	GOTZUTKJOBXVSN-KRWDZBQOSA-N	1	1	410.522	1.559	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429363020	1075218554	/nfs/dbraw/zinc/21/85/54/1075218554.db2.gz	CIGUGJUHZVDTDV-HOTGVXAUSA-N	1	1	420.579	1.418	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc(NC(=O)c2cccs2)c1	ZINC000675604497	1075220823	/nfs/dbraw/zinc/22/08/23/1075220823.db2.gz	OWXFMBWZKHHYLL-UHFFFAOYSA-N	1	1	400.504	1.846	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000578385474	1075227088	/nfs/dbraw/zinc/22/70/88/1075227088.db2.gz	LVBSDVLSVJEODV-HNNXBMFYSA-N	1	1	415.460	2.009	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[C@H](C)C1	ZINC000675594050	1075231754	/nfs/dbraw/zinc/23/17/54/1075231754.db2.gz	NZSNYZYJTBDAGS-NEWSRXKRSA-N	1	1	421.542	1.254	20	0		HDADMO
O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000675597860	1075235807	/nfs/dbraw/zinc/23/58/07/1075235807.db2.gz	FETOIHOACSKAEH-UHFFFAOYSA-N	1	1	417.432	1.345	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)C[C@@H]1C	ZINC000426986790	1075237103	/nfs/dbraw/zinc/23/71/03/1075237103.db2.gz	NQQJELFKAZAGCE-WMZOPIPTSA-N	1	1	413.522	2.210	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)C1	ZINC000429366870	1075242230	/nfs/dbraw/zinc/24/22/30/1075242230.db2.gz	MJGFLGZGFOGAJF-GUDVDZBRSA-N	1	1	410.603	1.427	20	0		HDADMO
COCc1cc(NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)ncn1	ZINC000582776907	1075254875	/nfs/dbraw/zinc/25/48/75/1075254875.db2.gz	FAFAVYNMUKEJAC-UHFFFAOYSA-N	1	1	413.522	1.821	20	0		HDADMO
O=S(=O)(NC1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1)c1cccs1	ZINC000675720217	1075261947	/nfs/dbraw/zinc/26/19/47/1075261947.db2.gz	MPNJKACNPZBDIT-UHFFFAOYSA-N	1	1	409.537	1.322	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(Nc3nc(N4CCOCC4)cc[nH+]3)CC2)cc1	ZINC000675719764	1075262228	/nfs/dbraw/zinc/26/22/28/1075262228.db2.gz	FOCDVJKJOVFOGB-UHFFFAOYSA-N	1	1	417.535	1.887	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1NS(C)(=O)=O	ZINC000675757806	1075265192	/nfs/dbraw/zinc/26/51/92/1075265192.db2.gz	SCCJMSQVATXLLI-BBRMVZONSA-N	1	1	415.581	1.744	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1	ZINC000543644047	1075265531	/nfs/dbraw/zinc/26/55/31/1075265531.db2.gz	AIUOCOMDPLLDTG-RBUKOAKNSA-N	1	1	406.502	1.898	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1C(C)C	ZINC000429374934	1075266477	/nfs/dbraw/zinc/26/64/77/1075266477.db2.gz	AVBUWRASSSJINR-BQFCYCMXSA-N	1	1	405.495	1.472	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000469930334	1075270327	/nfs/dbraw/zinc/27/03/27/1075270327.db2.gz	XGCRKBHQXSOPAA-HNNXBMFYSA-N	1	1	403.508	2.287	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC[N@@H+]1CCO	ZINC000429377001	1075273120	/nfs/dbraw/zinc/27/31/20/1075273120.db2.gz	LFTGORUJCFICFV-INIZCTEOSA-N	1	1	406.552	1.335	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC[N@H+]1CCO	ZINC000429377001	1075273126	/nfs/dbraw/zinc/27/31/26/1075273126.db2.gz	LFTGORUJCFICFV-INIZCTEOSA-N	1	1	406.552	1.335	20	0		HDADMO
C[C@@H]([NH2+]CCCCN1CCN(c2ncccn2)CC1)c1cccc(-n2cnnn2)c1	ZINC000675813466	1075275562	/nfs/dbraw/zinc/27/55/62/1075275562.db2.gz	IIPMNFPXQDFCEF-GOSISDBHSA-N	1	1	407.526	1.705	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCS[C@H](C)[C@H]3C)n2)c1C	ZINC000434595919	1075278437	/nfs/dbraw/zinc/27/84/37/1075278437.db2.gz	IYVLFICBGOQRGB-ZIAGYGMSSA-N	1	1	418.523	1.638	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C)C3)n2)c1C	ZINC000485023426	1075279929	/nfs/dbraw/zinc/27/99/29/1075279929.db2.gz	RFRWKQHTCFLANZ-DOMZBBRYSA-N	1	1	400.483	1.838	20	0		HDADMO
CS(=O)(=O)N1CCc2c1cccc2NC(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000543647281	1075280330	/nfs/dbraw/zinc/28/03/30/1075280330.db2.gz	NGNMJXZVFGDJFX-HNNXBMFYSA-N	1	1	410.540	1.367	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC3(C)C)n2)c1C	ZINC000434811839	1075280766	/nfs/dbraw/zinc/28/07/66/1075280766.db2.gz	CTFPOOWDGIYKDU-HNNXBMFYSA-N	1	1	400.483	1.980	20	0		HDADMO
CN(C)c1nc2cc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)ccc2o1	ZINC000675917230	1075291407	/nfs/dbraw/zinc/29/14/07/1075291407.db2.gz	CGZZZZUQTHROQL-INIZCTEOSA-N	1	1	415.494	1.546	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnnn2-c2ccccc2Cl)CC1	ZINC000675918062	1075291540	/nfs/dbraw/zinc/29/15/40/1075291540.db2.gz	NHLIRGBXHMFTNE-MRXNPFEDSA-N	1	1	402.886	1.299	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl	ZINC000479094726	1075295983	/nfs/dbraw/zinc/29/59/83/1075295983.db2.gz	JKKIJJFTAMBVAE-ZDUSSCGKSA-N	1	1	402.322	1.879	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O	ZINC000479102975	1075297602	/nfs/dbraw/zinc/29/76/02/1075297602.db2.gz	UNCGSOOLPMWARA-CYBMUJFWSA-N	1	1	416.349	1.956	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@H+]1CC(C)(C)O	ZINC000479102975	1075297604	/nfs/dbraw/zinc/29/76/04/1075297604.db2.gz	UNCGSOOLPMWARA-CYBMUJFWSA-N	1	1	416.349	1.956	20	0		HDADMO
COCCn1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1=O	ZINC000675936184	1075297882	/nfs/dbraw/zinc/29/78/82/1075297882.db2.gz	YFKGZPNOCPUDJS-UHFFFAOYSA-N	1	1	418.925	1.700	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C[N@H+]1Cc1ccccc1	ZINC000466706661	1075298286	/nfs/dbraw/zinc/29/82/86/1075298286.db2.gz	QZXZWRASICWPPB-MAUKXSAKSA-N	1	1	409.490	1.501	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(CN4CCCC4=O)c3)CC2)c1	ZINC000675939163	1075300942	/nfs/dbraw/zinc/30/09/42/1075300942.db2.gz	UVKQMQMIFKJRCH-UHFFFAOYSA-N	1	1	421.501	1.800	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)C2)nc(C)[nH+]1	ZINC000731301699	1075302791	/nfs/dbraw/zinc/30/27/91/1075302791.db2.gz	ZXGCFKDEFACXGJ-CQSZACIVSA-N	1	1	407.496	1.498	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)nc(C)[nH+]1	ZINC000731296987	1075306071	/nfs/dbraw/zinc/30/60/71/1075306071.db2.gz	ZNBZXNRQNAXFNG-FOIQADDNSA-N	1	1	401.467	1.326	20	0		HDADMO
Cc1ccc(NCCCNC(=O)c2ccccc2S(=O)(=O)CCN(C)C)[nH+]c1	ZINC000502061981	1075307637	/nfs/dbraw/zinc/30/76/37/1075307637.db2.gz	XDDBZENEPSDZOH-UHFFFAOYSA-N	1	1	404.536	1.957	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C	ZINC000544180854	1075312552	/nfs/dbraw/zinc/31/25/52/1075312552.db2.gz	DAPZXXFFQNCEFK-UHFFFAOYSA-N	1	1	415.494	1.692	20	0		HDADMO
CC(C)([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(=O)Nc1ccccc1	ZINC000675972090	1075312706	/nfs/dbraw/zinc/31/27/06/1075312706.db2.gz	HJTGSXJEPBZWOJ-UHFFFAOYSA-N	1	1	424.910	1.933	20	0		HDADMO
O[C@H]1CC[N@@H+](Cc2ccccc2CNc2ncc(I)cn2)C1	ZINC000547326630	1075315141	/nfs/dbraw/zinc/31/51/41/1075315141.db2.gz	AFZPOJGWOSXGIE-HNNXBMFYSA-N	1	1	410.259	2.260	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)CC2)CC1	ZINC000731351382	1075315364	/nfs/dbraw/zinc/31/53/64/1075315364.db2.gz	OILWJRPPMBVOCG-FQEVSTJZSA-N	1	1	416.497	1.721	20	0		HDADMO
Cc1cc2c(c(C)c1)C(=O)C(=O)N2CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731355598	1075318755	/nfs/dbraw/zinc/31/87/55/1075318755.db2.gz	BNSAGEFIHWWZAQ-UHFFFAOYSA-N	1	1	412.534	1.666	20	0		HDADMO
COC(=O)c1nn(CN2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(C)c1Cl	ZINC000731356488	1075319805	/nfs/dbraw/zinc/31/98/05/1075319805.db2.gz	WWQBCIYOCUKJKT-UHFFFAOYSA-N	1	1	411.934	1.465	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1	ZINC000676000727	1075321374	/nfs/dbraw/zinc/32/13/74/1075321374.db2.gz	FNJAAKQBFRPKLO-CQSZACIVSA-N	1	1	402.392	1.691	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000466710152	1075341989	/nfs/dbraw/zinc/34/19/89/1075341989.db2.gz	KDBWWXYDUFYNAB-HOCLYGCPSA-N	1	1	405.520	1.974	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000466710152	1075341997	/nfs/dbraw/zinc/34/19/97/1075341997.db2.gz	KDBWWXYDUFYNAB-HOCLYGCPSA-N	1	1	405.520	1.974	20	0		HDADMO
Cc1c(C(=O)N2CCS[C@@H]3COCC[C@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676072616	1075342840	/nfs/dbraw/zinc/34/28/40/1075342840.db2.gz	NFTFUZBDKVTPEG-RTBURBONSA-N	1	1	413.547	1.910	20	0		HDADMO
C[C@@H](NC(=O)CNC(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccc(F)cc1	ZINC000429394814	1075348977	/nfs/dbraw/zinc/34/89/77/1075348977.db2.gz	PLDBIYUEZVLMGG-DLBZAZTESA-N	1	1	404.530	1.925	20	0		HDADMO
C[C@@H](NC(=O)CNC(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccc(F)cc1	ZINC000429394816	1075349041	/nfs/dbraw/zinc/34/90/41/1075349041.db2.gz	PLDBIYUEZVLMGG-IAGOWNOFSA-N	1	1	404.530	1.925	20	0		HDADMO
Cc1cccc(F)c1CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000804083812	1075357460	/nfs/dbraw/zinc/35/74/60/1075357460.db2.gz	WPNNSUXNVNPNNS-UHFFFAOYSA-N	1	1	413.497	1.474	20	0		HDADMO
COC(=O)N1CCC[C@H](NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C1	ZINC000731473819	1075359569	/nfs/dbraw/zinc/35/95/69/1075359569.db2.gz	BRFLXVYNRJKBGO-INIZCTEOSA-N	1	1	412.494	1.524	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)NCc1ccc(Br)cc1OC)C(C)C	ZINC000804084488	1075367249	/nfs/dbraw/zinc/36/72/49/1075367249.db2.gz	XBPJIDJLSQNGIY-UHFFFAOYSA-N	1	1	400.317	1.920	20	0		HDADMO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1	ZINC000509384853	1075375140	/nfs/dbraw/zinc/37/51/40/1075375140.db2.gz	HTRLYKQFBKZXBC-GOSISDBHSA-N	1	1	405.543	1.612	20	0		HDADMO
C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1	ZINC000676091728	1075376697	/nfs/dbraw/zinc/37/66/97/1075376697.db2.gz	IRHFWXCMDHASQA-UHFFFAOYSA-N	1	1	408.462	1.463	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O	ZINC000466713538	1075381138	/nfs/dbraw/zinc/38/11/38/1075381138.db2.gz	OPNKHDYKJVTALJ-ZBFHGGJFSA-N	1	1	405.520	1.878	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O	ZINC000466713538	1075381143	/nfs/dbraw/zinc/38/11/43/1075381143.db2.gz	OPNKHDYKJVTALJ-ZBFHGGJFSA-N	1	1	405.520	1.878	20	0		HDADMO
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000429396990	1075381948	/nfs/dbraw/zinc/38/19/48/1075381948.db2.gz	YBVWIYJQWABQLJ-AYEUKFJJSA-N	1	1	412.600	1.262	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21	ZINC000804089458	1075383347	/nfs/dbraw/zinc/38/33/47/1075383347.db2.gz	BDOHTNCLNLHUTC-TVFCKZIOSA-N	1	1	422.570	1.881	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C	ZINC000804093950	1075392538	/nfs/dbraw/zinc/39/25/38/1075392538.db2.gz	QUIIIXCKTPPTHK-UONOGXRCSA-N	1	1	422.530	1.054	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000804093763	1075393380	/nfs/dbraw/zinc/39/33/80/1075393380.db2.gz	POEGQTHADIKTLL-IAGOWNOFSA-N	1	1	410.559	1.881	20	0		HDADMO
CC(C)(C)C(=O)NCCNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1	ZINC000804096759	1075395910	/nfs/dbraw/zinc/39/59/10/1075395910.db2.gz	FSXLZOQCVVVJFA-QFIPXVFZSA-N	1	1	402.539	1.293	20	0		HDADMO
CCSc1nnc(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)s1	ZINC000642400950	1075414855	/nfs/dbraw/zinc/41/48/55/1075414855.db2.gz	SLBHEMJQVBJDHL-UHFFFAOYSA-N	1	1	408.557	1.774	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21	ZINC000441465684	1075420779	/nfs/dbraw/zinc/42/07/79/1075420779.db2.gz	AZQUQJHCGBAKGL-GOEBONIOSA-N	1	1	400.458	1.596	20	0		HDADMO
CC(=O)Nc1ccc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)c1	ZINC000676203943	1075425710	/nfs/dbraw/zinc/42/57/10/1075425710.db2.gz	QRSSYTWQRCIKFT-KBPBESRZSA-N	1	1	401.504	1.952	20	0		HDADMO
CC(C)C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1	ZINC000466719391	1075441207	/nfs/dbraw/zinc/44/12/07/1075441207.db2.gz	RKRBDTLBOSDBNF-NQIIRXRSSA-N	1	1	415.534	1.865	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)s1	ZINC000676242167	1075444849	/nfs/dbraw/zinc/44/48/49/1075444849.db2.gz	RDTYTBIZLWKJJR-UKRRQHHQSA-N	1	1	418.585	1.297	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)s1	ZINC000676242167	1075444865	/nfs/dbraw/zinc/44/48/65/1075444865.db2.gz	RDTYTBIZLWKJJR-UKRRQHHQSA-N	1	1	418.585	1.297	20	0		HDADMO
C[C@@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676244215	1075446377	/nfs/dbraw/zinc/44/63/77/1075446377.db2.gz	RVKGKECSFMYTMA-BEFAXECRSA-N	1	1	405.495	1.482	20	0		HDADMO
C[C@@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244215	1075446386	/nfs/dbraw/zinc/44/63/86/1075446386.db2.gz	RVKGKECSFMYTMA-BEFAXECRSA-N	1	1	405.495	1.482	20	0		HDADMO
COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCCCNc2ccc(C)c[nH+]2)cc1	ZINC000443587562	1075448680	/nfs/dbraw/zinc/44/86/80/1075448680.db2.gz	ADJLLYCUPWFFOY-MRXNPFEDSA-N	1	1	405.520	2.427	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676256319	1075452016	/nfs/dbraw/zinc/45/20/16/1075452016.db2.gz	BGLJVGZREHYDGM-MAUKXSAKSA-N	1	1	412.556	1.865	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676256319	1075452022	/nfs/dbraw/zinc/45/20/22/1075452022.db2.gz	BGLJVGZREHYDGM-MAUKXSAKSA-N	1	1	412.556	1.865	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258271	1075453244	/nfs/dbraw/zinc/45/32/44/1075453244.db2.gz	GOKISHDJTPDYKU-KBXCAEBGSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258271	1075453249	/nfs/dbraw/zinc/45/32/49/1075453249.db2.gz	GOKISHDJTPDYKU-KBXCAEBGSA-N	1	1	423.560	1.676	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC1CCCC1	ZINC000676257702	1075453260	/nfs/dbraw/zinc/45/32/60/1075453260.db2.gz	HKRZSYCUZPLMLJ-CRAIPNDOSA-N	1	1	409.552	1.665	20	0		HDADMO
Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC1CCCC1	ZINC000676257702	1075453265	/nfs/dbraw/zinc/45/32/65/1075453265.db2.gz	HKRZSYCUZPLMLJ-CRAIPNDOSA-N	1	1	409.552	1.665	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257872	1075453333	/nfs/dbraw/zinc/45/33/33/1075453333.db2.gz	MWJVNKZHZJWBOL-QRWLVFNGSA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257872	1075453338	/nfs/dbraw/zinc/45/33/38/1075453338.db2.gz	MWJVNKZHZJWBOL-QRWLVFNGSA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258273	1075453864	/nfs/dbraw/zinc/45/38/64/1075453864.db2.gz	GOKISHDJTPDYKU-KSSFIOAISA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258273	1075453867	/nfs/dbraw/zinc/45/38/67/1075453867.db2.gz	GOKISHDJTPDYKU-KSSFIOAISA-N	1	1	423.560	1.676	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OC	ZINC000676259028	1075454875	/nfs/dbraw/zinc/45/48/75/1075454875.db2.gz	ZVKZZQVAYBASPR-WMLDXEAASA-N	1	1	413.540	1.175	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OC	ZINC000676259028	1075454877	/nfs/dbraw/zinc/45/48/77/1075454877.db2.gz	ZVKZZQVAYBASPR-WMLDXEAASA-N	1	1	413.540	1.175	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676258522	1075455332	/nfs/dbraw/zinc/45/53/32/1075455332.db2.gz	CLANDKNMGGTBJP-CMKODMSKSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258522	1075455335	/nfs/dbraw/zinc/45/53/35/1075455335.db2.gz	CLANDKNMGGTBJP-CMKODMSKSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1C[N@H+](C)CCO1	ZINC000676259286	1075457589	/nfs/dbraw/zinc/45/75/89/1075457589.db2.gz	UBHIEWRABAHJPR-MLGOLLRUSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1C[N@@H+](C)CCO1	ZINC000676259286	1075457598	/nfs/dbraw/zinc/45/75/98/1075457598.db2.gz	UBHIEWRABAHJPR-MLGOLLRUSA-N	1	1	400.476	1.206	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)N1CCCCC1	ZINC000676262269	1075461640	/nfs/dbraw/zinc/46/16/40/1075461640.db2.gz	WYGNAARZBMRUPE-FUHWJXTLSA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)N1CCCCC1	ZINC000676262269	1075461643	/nfs/dbraw/zinc/46/16/43/1075461643.db2.gz	WYGNAARZBMRUPE-FUHWJXTLSA-N	1	1	409.552	1.619	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676264151	1075462283	/nfs/dbraw/zinc/46/22/83/1075462283.db2.gz	LSMJWIONHQEPOY-FZMZJTMJSA-N	1	1	424.445	1.368	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676264151	1075462288	/nfs/dbraw/zinc/46/22/88/1075462288.db2.gz	LSMJWIONHQEPOY-FZMZJTMJSA-N	1	1	424.445	1.368	20	0		HDADMO
COc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1-n1nnnc1C1CC1	ZINC000676265004	1075463288	/nfs/dbraw/zinc/46/32/88/1075463288.db2.gz	HICMIEQYINAKJO-SJKOYZFVSA-N	1	1	401.471	1.389	20	0		HDADMO
COc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1-n1nnnc1C1CC1	ZINC000676265004	1075463296	/nfs/dbraw/zinc/46/32/96/1075463296.db2.gz	HICMIEQYINAKJO-SJKOYZFVSA-N	1	1	401.471	1.389	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676249263	1075466444	/nfs/dbraw/zinc/46/64/44/1075466444.db2.gz	NFBLPQXFWZZWMJ-QAPCUYQASA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676249263	1075466452	/nfs/dbraw/zinc/46/64/52/1075466452.db2.gz	NFBLPQXFWZZWMJ-QAPCUYQASA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000731683751	1075467830	/nfs/dbraw/zinc/46/78/30/1075467830.db2.gz	GQYFJFOGVSFDGA-CVEARBPZSA-N	1	1	411.547	1.225	20	0		HDADMO
C[C@@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@@H]1C[N@H+](C)CCO1	ZINC000676251964	1075468465	/nfs/dbraw/zinc/46/84/65/1075468465.db2.gz	SQSQEIPDCVWMMZ-YGRLFVJLSA-N	1	1	400.273	1.696	20	0		HDADMO
C[C@@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251964	1075468466	/nfs/dbraw/zinc/46/84/66/1075468466.db2.gz	SQSQEIPDCVWMMZ-YGRLFVJLSA-N	1	1	400.273	1.696	20	0		HDADMO
C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676250359	1075468474	/nfs/dbraw/zinc/46/84/74/1075468474.db2.gz	HALDBROEANEXEL-SWLSCSKDSA-N	1	1	413.316	1.197	20	0		HDADMO
C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250359	1075468475	/nfs/dbraw/zinc/46/84/75/1075468475.db2.gz	HALDBROEANEXEL-SWLSCSKDSA-N	1	1	413.316	1.197	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676251569	1075468925	/nfs/dbraw/zinc/46/89/25/1075468925.db2.gz	NKMODCGUUGBYNM-SWLSCSKDSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676251569	1075468933	/nfs/dbraw/zinc/46/89/33/1075468933.db2.gz	NKMODCGUUGBYNM-SWLSCSKDSA-N	1	1	413.316	1.714	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251558	1075469028	/nfs/dbraw/zinc/46/90/28/1075469028.db2.gz	QHYFHYHKGMGDBE-SWLSCSKDSA-N	1	1	402.326	1.939	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251558	1075469034	/nfs/dbraw/zinc/46/90/34/1075469034.db2.gz	QHYFHYHKGMGDBE-SWLSCSKDSA-N	1	1	402.326	1.939	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251447	1075469399	/nfs/dbraw/zinc/46/93/99/1075469399.db2.gz	MRJKFUOFSSCKGL-OXJNMPFZSA-N	1	1	400.523	1.716	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251447	1075469404	/nfs/dbraw/zinc/46/94/04/1075469404.db2.gz	MRJKFUOFSSCKGL-OXJNMPFZSA-N	1	1	400.523	1.716	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676253434	1075471675	/nfs/dbraw/zinc/47/16/75/1075471675.db2.gz	XZVKFSAQGNIWMO-QFBILLFUSA-N	1	1	410.946	1.765	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676253434	1075471676	/nfs/dbraw/zinc/47/16/76/1075471676.db2.gz	XZVKFSAQGNIWMO-QFBILLFUSA-N	1	1	410.946	1.765	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676253433	1075471722	/nfs/dbraw/zinc/47/17/22/1075471722.db2.gz	XZVKFSAQGNIWMO-LPHOPBHVSA-N	1	1	410.946	1.765	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676253433	1075471726	/nfs/dbraw/zinc/47/17/26/1075471726.db2.gz	XZVKFSAQGNIWMO-LPHOPBHVSA-N	1	1	410.946	1.765	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676253421	1075471820	/nfs/dbraw/zinc/47/18/20/1075471820.db2.gz	XSFFDABEHAYIPA-UZLBHIALSA-N	1	1	413.522	1.283	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676253421	1075471823	/nfs/dbraw/zinc/47/18/23/1075471823.db2.gz	XSFFDABEHAYIPA-UZLBHIALSA-N	1	1	413.522	1.283	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1C	ZINC000676255042	1075472277	/nfs/dbraw/zinc/47/22/77/1075472277.db2.gz	RMUOUEHWCOZPFA-NVXWUHKLSA-N	1	1	412.556	1.866	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1C	ZINC000676255042	1075472286	/nfs/dbraw/zinc/47/22/86/1075472286.db2.gz	RMUOUEHWCOZPFA-NVXWUHKLSA-N	1	1	412.556	1.866	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1C[N@H+](C)CCO1	ZINC000676277828	1075477460	/nfs/dbraw/zinc/47/74/60/1075477460.db2.gz	CJEZGBJISYZTDB-BLLLJJGKSA-N	1	1	408.886	1.241	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1C[N@@H+](C)CCO1	ZINC000676277828	1075477464	/nfs/dbraw/zinc/47/74/64/1075477464.db2.gz	CJEZGBJISYZTDB-BLLLJJGKSA-N	1	1	408.886	1.241	20	0		HDADMO
CC(C)OCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676278209	1075478162	/nfs/dbraw/zinc/47/81/62/1075478162.db2.gz	FYCQKIHSGIBSIG-APWZRJJASA-N	1	1	407.511	1.402	20	0		HDADMO
CC(C)OCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676278209	1075478172	/nfs/dbraw/zinc/47/81/72/1075478172.db2.gz	FYCQKIHSGIBSIG-APWZRJJASA-N	1	1	407.511	1.402	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(OCC(F)(F)F)c1	ZINC000676279170	1075479184	/nfs/dbraw/zinc/47/91/84/1075479184.db2.gz	ANPOWLOFMAEYMV-DOMZBBRYSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OCC(F)(F)F)c1	ZINC000676279170	1075479188	/nfs/dbraw/zinc/47/91/88/1075479188.db2.gz	ANPOWLOFMAEYMV-DOMZBBRYSA-N	1	1	403.401	1.710	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278846	1075479787	/nfs/dbraw/zinc/47/97/87/1075479787.db2.gz	LDNICLCEJBFOGW-APWZRJJASA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278846	1075479790	/nfs/dbraw/zinc/47/97/90/1075479790.db2.gz	LDNICLCEJBFOGW-APWZRJJASA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278625	1075480351	/nfs/dbraw/zinc/48/03/51/1075480351.db2.gz	JBJUEMBZVXQPNZ-RHSMWYFYSA-N	1	1	412.494	1.055	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278625	1075480355	/nfs/dbraw/zinc/48/03/55/1075480355.db2.gz	JBJUEMBZVXQPNZ-RHSMWYFYSA-N	1	1	412.494	1.055	20	0		HDADMO
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676278542	1075480967	/nfs/dbraw/zinc/48/09/67/1075480967.db2.gz	IBGNPNNPYXOWNK-YOEHRIQHSA-N	1	1	404.511	1.379	20	0		HDADMO
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676278542	1075480969	/nfs/dbraw/zinc/48/09/69/1075480969.db2.gz	IBGNPNNPYXOWNK-YOEHRIQHSA-N	1	1	404.511	1.379	20	0		HDADMO
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676278416	1075481350	/nfs/dbraw/zinc/48/13/50/1075481350.db2.gz	HPNQYXXYXWVRRA-LPHOPBHVSA-N	1	1	418.538	1.723	20	0		HDADMO
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676278416	1075481354	/nfs/dbraw/zinc/48/13/54/1075481354.db2.gz	HPNQYXXYXWVRRA-LPHOPBHVSA-N	1	1	418.538	1.723	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280086	1075482023	/nfs/dbraw/zinc/48/20/23/1075482023.db2.gz	RETTYLFSMWXOGT-ZANVPECISA-N	1	1	400.357	1.620	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280086	1075482028	/nfs/dbraw/zinc/48/20/28/1075482028.db2.gz	RETTYLFSMWXOGT-ZANVPECISA-N	1	1	400.357	1.620	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1C[N@H+](C)CCO1	ZINC000676279955	1075482050	/nfs/dbraw/zinc/48/20/50/1075482050.db2.gz	RIGXTSVJSLTBRM-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1C[N@@H+](C)CCO1	ZINC000676279955	1075482056	/nfs/dbraw/zinc/48/20/56/1075482056.db2.gz	RIGXTSVJSLTBRM-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676279940	1075482205	/nfs/dbraw/zinc/48/22/05/1075482205.db2.gz	RDBNCWPKDJHLER-WBMJQRKESA-N	1	1	410.902	1.252	20	0		HDADMO
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676279940	1075482211	/nfs/dbraw/zinc/48/22/11/1075482211.db2.gz	RDBNCWPKDJHLER-WBMJQRKESA-N	1	1	410.902	1.252	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280048	1075482569	/nfs/dbraw/zinc/48/25/69/1075482569.db2.gz	QTMQFKUFZWJKDH-DYVFJYSZSA-N	1	1	402.426	1.787	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280048	1075482572	/nfs/dbraw/zinc/48/25/72/1075482572.db2.gz	QTMQFKUFZWJKDH-DYVFJYSZSA-N	1	1	402.426	1.787	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280047	1075482836	/nfs/dbraw/zinc/48/28/36/1075482836.db2.gz	QTMQFKUFZWJKDH-CXAGYDPISA-N	1	1	402.426	1.787	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280047	1075482844	/nfs/dbraw/zinc/48/28/44/1075482844.db2.gz	QTMQFKUFZWJKDH-CXAGYDPISA-N	1	1	402.426	1.787	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000804221995	1075482885	/nfs/dbraw/zinc/48/28/85/1075482885.db2.gz	BXYQZJUEXNEIGY-UHFFFAOYSA-N	1	1	410.559	1.740	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676279348	1075483969	/nfs/dbraw/zinc/48/39/69/1075483969.db2.gz	OLLNJJGCIAWMQV-CRAIPNDOSA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279348	1075483972	/nfs/dbraw/zinc/48/39/72/1075483972.db2.gz	OLLNJJGCIAWMQV-CRAIPNDOSA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1C[N@H+](C)CCO1	ZINC000676279572	1075483984	/nfs/dbraw/zinc/48/39/84/1075483984.db2.gz	CYAIBZMPBYTFSK-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279572	1075483987	/nfs/dbraw/zinc/48/39/87/1075483987.db2.gz	CYAIBZMPBYTFSK-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279351	1075484504	/nfs/dbraw/zinc/48/45/04/1075484504.db2.gz	OLLNJJGCIAWMQV-YJBOKZPZSA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279351	1075484507	/nfs/dbraw/zinc/48/45/07/1075484507.db2.gz	OLLNJJGCIAWMQV-YJBOKZPZSA-N	1	1	402.495	1.087	20	0		HDADMO
COCCCn1ccc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000429416961	1075485340	/nfs/dbraw/zinc/48/53/40/1075485340.db2.gz	FMTUOCFWQJXRCS-NRFANRHFSA-N	1	1	401.511	2.020	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1OCC(F)(F)F	ZINC000676280816	1075485330	/nfs/dbraw/zinc/48/53/30/1075485330.db2.gz	SZZCBTRILNBDQS-SWLSCSKDSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1OCC(F)(F)F	ZINC000676280816	1075485335	/nfs/dbraw/zinc/48/53/35/1075485335.db2.gz	SZZCBTRILNBDQS-SWLSCSKDSA-N	1	1	403.401	1.710	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@@H]1C[N@H+](C)CCO1	ZINC000676280721	1075486113	/nfs/dbraw/zinc/48/61/13/1075486113.db2.gz	WARNKDBBNOSJIN-ABAIWWIYSA-N	1	1	402.417	1.545	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280721	1075486114	/nfs/dbraw/zinc/48/61/14/1075486114.db2.gz	WARNKDBBNOSJIN-ABAIWWIYSA-N	1	1	402.417	1.545	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280289	1075486519	/nfs/dbraw/zinc/48/65/19/1075486519.db2.gz	UXBUCIWGQUQXAN-QFBILLFUSA-N	1	1	416.522	1.477	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280289	1075486524	/nfs/dbraw/zinc/48/65/24/1075486524.db2.gz	UXBUCIWGQUQXAN-QFBILLFUSA-N	1	1	416.522	1.477	20	0		HDADMO
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676280280	1075486555	/nfs/dbraw/zinc/48/65/55/1075486555.db2.gz	UUJQXZQLYTUSCX-DYVFJYSZSA-N	1	1	424.929	1.596	20	0		HDADMO
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676280280	1075486559	/nfs/dbraw/zinc/48/65/59/1075486559.db2.gz	UUJQXZQLYTUSCX-DYVFJYSZSA-N	1	1	424.929	1.596	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676280358	1075487306	/nfs/dbraw/zinc/48/73/06/1075487306.db2.gz	SAMCLJOVCJBSDG-ZWNOBZJWSA-N	1	1	405.442	1.957	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676280358	1075487308	/nfs/dbraw/zinc/48/73/08/1075487308.db2.gz	SAMCLJOVCJBSDG-ZWNOBZJWSA-N	1	1	405.442	1.957	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676281213	1075487785	/nfs/dbraw/zinc/48/77/85/1075487785.db2.gz	XZCCYDZEAVUKGG-AXVVYFOYSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281213	1075487787	/nfs/dbraw/zinc/48/77/87/1075487787.db2.gz	XZCCYDZEAVUKGG-AXVVYFOYSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676282685	1075490018	/nfs/dbraw/zinc/49/00/18/1075490018.db2.gz	UFWQFBNTJJPGIS-QFBILLFUSA-N	1	1	416.522	1.015	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676282685	1075490024	/nfs/dbraw/zinc/49/00/24/1075490024.db2.gz	UFWQFBNTJJPGIS-QFBILLFUSA-N	1	1	416.522	1.015	20	0		HDADMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1	ZINC000676283220	1075490100	/nfs/dbraw/zinc/49/01/00/1075490100.db2.gz	XWOFMVCGGCRNBS-LPHOPBHVSA-N	1	1	413.522	1.829	20	0		HDADMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1	ZINC000676283224	1075490407	/nfs/dbraw/zinc/49/04/07/1075490407.db2.gz	XWOFMVCGGCRNBS-VQIMIIECSA-N	1	1	413.522	1.829	20	0		HDADMO
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C2=O	ZINC000676286926	1075491138	/nfs/dbraw/zinc/49/11/38/1075491138.db2.gz	KKHGFCNXEKFMCP-IEEPAPPKSA-N	1	1	422.570	1.739	20	0		HDADMO
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C2=O	ZINC000676286926	1075491139	/nfs/dbraw/zinc/49/11/39/1075491139.db2.gz	KKHGFCNXEKFMCP-IEEPAPPKSA-N	1	1	422.570	1.739	20	0		HDADMO
CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676288072	1075491557	/nfs/dbraw/zinc/49/15/57/1075491557.db2.gz	KNNDCEGLIQDESH-OXQOHEQNSA-N	1	1	418.538	1.708	20	0		HDADMO
CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676288072	1075491559	/nfs/dbraw/zinc/49/15/59/1075491559.db2.gz	KNNDCEGLIQDESH-OXQOHEQNSA-N	1	1	418.538	1.708	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307373	1075493551	/nfs/dbraw/zinc/49/35/51/1075493551.db2.gz	PENNBAIZSVIVLO-DYVFJYSZSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307373	1075493554	/nfs/dbraw/zinc/49/35/54/1075493554.db2.gz	PENNBAIZSVIVLO-DYVFJYSZSA-N	1	1	412.893	1.666	20	0		HDADMO
COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1	ZINC000429417687	1075493936	/nfs/dbraw/zinc/49/39/36/1075493936.db2.gz	ODJOJLOBEYAFNO-CQSZACIVSA-N	1	1	412.533	1.605	20	0		HDADMO
COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676289594	1075494471	/nfs/dbraw/zinc/49/44/71/1075494471.db2.gz	GFZCUSGRIZYQBQ-SUMWQHHRSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676289594	1075494474	/nfs/dbraw/zinc/49/44/74/1075494474.db2.gz	GFZCUSGRIZYQBQ-SUMWQHHRSA-N	1	1	405.524	1.512	20	0		HDADMO
C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1C[N@H+](C)CCO1	ZINC000676290429	1075495623	/nfs/dbraw/zinc/49/56/23/1075495623.db2.gz	OCLXUWRMYPXBGH-MNOVXSKESA-N	1	1	404.330	1.418	20	0		HDADMO
C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676290429	1075495625	/nfs/dbraw/zinc/49/56/25/1075495625.db2.gz	OCLXUWRMYPXBGH-MNOVXSKESA-N	1	1	404.330	1.418	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000676296992	1075499653	/nfs/dbraw/zinc/49/96/53/1075499653.db2.gz	IPRXDHFTJVKAIZ-QUCCMNQESA-N	1	1	401.555	1.312	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1	ZINC000731765837	1075501264	/nfs/dbraw/zinc/50/12/64/1075501264.db2.gz	OJOQXYOTDVRFCV-KRWDZBQOSA-N	1	1	404.430	1.436	20	0		HDADMO
CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676304054	1075501788	/nfs/dbraw/zinc/50/17/88/1075501788.db2.gz	JIKMZHQGPPYOKE-QFBILLFUSA-N	1	1	404.511	1.272	20	0		HDADMO
CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676304054	1075501792	/nfs/dbraw/zinc/50/17/92/1075501792.db2.gz	JIKMZHQGPPYOKE-QFBILLFUSA-N	1	1	404.511	1.272	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676304884	1075502711	/nfs/dbraw/zinc/50/27/11/1075502711.db2.gz	NDSPJKCHPFMWLZ-RDTXWAMCSA-N	1	1	407.490	1.840	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676304884	1075502713	/nfs/dbraw/zinc/50/27/13/1075502713.db2.gz	NDSPJKCHPFMWLZ-RDTXWAMCSA-N	1	1	407.490	1.840	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676305281	1075503139	/nfs/dbraw/zinc/50/31/39/1075503139.db2.gz	HCKPDMVZGGFBBJ-BJJXKVORSA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676305281	1075503143	/nfs/dbraw/zinc/50/31/43/1075503143.db2.gz	HCKPDMVZGGFBBJ-BJJXKVORSA-N	1	1	405.417	1.463	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1F	ZINC000676305526	1075503498	/nfs/dbraw/zinc/50/34/98/1075503498.db2.gz	PVZITBXPSBZRKQ-UZLBHIALSA-N	1	1	420.529	1.891	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1F	ZINC000676305526	1075503500	/nfs/dbraw/zinc/50/35/00/1075503500.db2.gz	PVZITBXPSBZRKQ-UZLBHIALSA-N	1	1	420.529	1.891	20	0		HDADMO
Cc1n[nH]cc1-c1nnc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)s1	ZINC000548739147	1075503709	/nfs/dbraw/zinc/50/37/09/1075503709.db2.gz	MQJFENKYWVPFSU-UHFFFAOYSA-N	1	1	412.523	2.180	20	0		HDADMO
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000676317035	1075506078	/nfs/dbraw/zinc/50/60/78/1075506078.db2.gz	QJKPLQQPHDHBAR-OAQYLSRUSA-N	1	1	411.550	1.571	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2cccc(NCc3cccc(NS(C)(=O)=O)c3)c2)CC1	ZINC000676326575	1075507748	/nfs/dbraw/zinc/50/77/48/1075507748.db2.gz	NHNFUVFOBHEGQE-UHFFFAOYSA-N	1	1	416.547	1.987	20	0		HDADMO
COc1cccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c1OC	ZINC000676309517	1075509075	/nfs/dbraw/zinc/50/90/75/1075509075.db2.gz	ZBFHVAHPRCHMLL-UHFFFAOYSA-N	1	1	413.478	1.293	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676334581	1075510381	/nfs/dbraw/zinc/51/03/81/1075510381.db2.gz	ZWZMNPQVZDGXTF-XLIONFOSSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676334581	1075510387	/nfs/dbraw/zinc/51/03/87/1075510387.db2.gz	ZWZMNPQVZDGXTF-XLIONFOSSA-N	1	1	403.523	1.529	20	0		HDADMO
COc1cc(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1OC(C)C	ZINC000731755925	1075512254	/nfs/dbraw/zinc/51/22/54/1075512254.db2.gz	BWCJNHQJXILSHE-UHFFFAOYSA-N	1	1	406.527	1.834	20	0		HDADMO
CS(=O)(=O)c1ccc(OCCCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000676340867	1075514073	/nfs/dbraw/zinc/51/40/73/1075514073.db2.gz	LRVYUBFVGDYWLG-KRWDZBQOSA-N	1	1	410.536	1.572	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1	ZINC000731762331	1075516013	/nfs/dbraw/zinc/51/60/13/1075516013.db2.gz	PGBGAWVAVXRJKU-INIZCTEOSA-N	1	1	416.444	1.591	20	0		HDADMO
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000731762245	1075516334	/nfs/dbraw/zinc/51/63/34/1075516334.db2.gz	KKTLSNVNHLSUMM-HNNXBMFYSA-N	1	1	411.547	1.190	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1	ZINC000731762159	1075516424	/nfs/dbraw/zinc/51/64/24/1075516424.db2.gz	GPHRQVSLJDPUMR-NRFANRHFSA-N	1	1	420.529	1.833	20	0		HDADMO
O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000676342674	1075516467	/nfs/dbraw/zinc/51/64/67/1075516467.db2.gz	RUGHICDKJHEAOS-OAHLLOKOSA-N	1	1	420.453	1.498	20	0		HDADMO
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000429426316	1075519071	/nfs/dbraw/zinc/51/90/71/1075519071.db2.gz	FKHBCTRGPFHHLX-MRXNPFEDSA-N	1	1	406.552	1.714	20	0		HDADMO
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000429426316	1075519076	/nfs/dbraw/zinc/51/90/76/1075519076.db2.gz	FKHBCTRGPFHHLX-MRXNPFEDSA-N	1	1	406.552	1.714	20	0		HDADMO
C[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676333372	1075523750	/nfs/dbraw/zinc/52/37/50/1075523750.db2.gz	LFLRAUKVJQLVKW-FXAWDEMLSA-N	1	1	402.539	1.786	20	0		HDADMO
C[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676333372	1075523752	/nfs/dbraw/zinc/52/37/52/1075523752.db2.gz	LFLRAUKVJQLVKW-FXAWDEMLSA-N	1	1	402.539	1.786	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1	ZINC000731826620	1075525051	/nfs/dbraw/zinc/52/50/51/1075525051.db2.gz	GJVGLTLVLVEDQK-ZDUSSCGKSA-N	1	1	408.549	1.453	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000731809232	1075527408	/nfs/dbraw/zinc/52/74/08/1075527408.db2.gz	RFOFCYSLAGYNDP-ZIAGYGMSSA-N	1	1	406.533	1.655	20	0		HDADMO
CC(C)(O)[C@H]1CCCN1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000543671941	1075527597	/nfs/dbraw/zinc/52/75/97/1075527597.db2.gz	DWVAMOLFWIRALN-RBUKOAKNSA-N	1	1	402.539	1.829	20	0		HDADMO
CN1C(=S)N=NC1C1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1	ZINC000731810396	1075528136	/nfs/dbraw/zinc/52/81/36/1075528136.db2.gz	HUXRLFFQBKPUFR-SFHVURJKSA-N	1	1	414.579	1.799	20	0		HDADMO
COc1nccc(NC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n1	ZINC000554922310	1075528864	/nfs/dbraw/zinc/52/88/64/1075528864.db2.gz	QOJIOPDUHNXQTO-UHFFFAOYSA-N	1	1	415.494	2.297	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000731848557	1075531347	/nfs/dbraw/zinc/53/13/47/1075531347.db2.gz	UWOONAMVNSWUOF-OKSBFYSISA-N	1	1	403.504	1.704	20	0		HDADMO
CCCOC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000731838662	1075544183	/nfs/dbraw/zinc/54/41/83/1075544183.db2.gz	KGMCYBCETZORJZ-IBGZPJMESA-N	1	1	417.506	1.905	20	0		HDADMO
CCc1nnc(NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1	ZINC000572147471	1075544228	/nfs/dbraw/zinc/54/42/28/1075544228.db2.gz	HMPWHCGKWNVFRF-QGZVFWFLSA-N	1	1	400.552	2.525	20	0		HDADMO
CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000731843358	1075547284	/nfs/dbraw/zinc/54/72/84/1075547284.db2.gz	QQAMMROXGKTMOS-SXGWCWSVSA-N	1	1	423.579	1.472	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000731873758	1075549102	/nfs/dbraw/zinc/54/91/02/1075549102.db2.gz	ZYPJRDXHBFZIQG-YADHBBJMSA-N	1	1	424.545	1.886	20	0		HDADMO
COc1ccc(C2(CNC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)CCC2)cc1	ZINC000676436701	1075553290	/nfs/dbraw/zinc/55/32/90/1075553290.db2.gz	LDCXZLAYRNAKLU-KRWDZBQOSA-N	1	1	417.550	1.537	20	0		HDADMO
COc1ccc(C2(CNC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)CCC2)cc1	ZINC000676436701	1075553294	/nfs/dbraw/zinc/55/32/94/1075553294.db2.gz	LDCXZLAYRNAKLU-KRWDZBQOSA-N	1	1	417.550	1.537	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000676451987	1075557408	/nfs/dbraw/zinc/55/74/08/1075557408.db2.gz	LMVAOPPRUBCOHN-WOJBJXKFSA-N	1	1	424.549	1.787	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676451987	1075557414	/nfs/dbraw/zinc/55/74/14/1075557414.db2.gz	LMVAOPPRUBCOHN-WOJBJXKFSA-N	1	1	424.549	1.787	20	0		HDADMO
COc1ccccc1C1(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCC1	ZINC000676474275	1075563840	/nfs/dbraw/zinc/56/38/40/1075563840.db2.gz	LMLUUXNCEALTLX-QGZVFWFLSA-N	1	1	417.550	1.537	20	0		HDADMO
COc1ccccc1C1(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCC1	ZINC000676474275	1075563842	/nfs/dbraw/zinc/56/38/42/1075563842.db2.gz	LMLUUXNCEALTLX-QGZVFWFLSA-N	1	1	417.550	1.537	20	0		HDADMO
CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000509416859	1075565858	/nfs/dbraw/zinc/56/58/58/1075565858.db2.gz	NUFNMGWGHHONLH-WOJBJXKFSA-N	1	1	410.603	1.897	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1	ZINC000676497822	1075569469	/nfs/dbraw/zinc/56/94/69/1075569469.db2.gz	JLZBPLIFZQWNBY-LJQANCHMSA-N	1	1	410.584	1.903	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000504542758	1075569847	/nfs/dbraw/zinc/56/98/47/1075569847.db2.gz	UUWWEVXKCMFQRF-IBGZPJMESA-N	1	1	402.520	1.833	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000676500813	1075570208	/nfs/dbraw/zinc/57/02/08/1075570208.db2.gz	DZEZTNAGSXIGCF-ZVDOUQERSA-N	1	1	405.587	1.051	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000676500813	1075570213	/nfs/dbraw/zinc/57/02/13/1075570213.db2.gz	DZEZTNAGSXIGCF-ZVDOUQERSA-N	1	1	405.587	1.051	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)O[C@@H](C)C2	ZINC000676503279	1075570498	/nfs/dbraw/zinc/57/04/98/1075570498.db2.gz	YJKCKZAJSBTCLT-LPHOPBHVSA-N	1	1	418.538	1.224	20	0		HDADMO
C[C@@H]1COCCCN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000676504043	1075571052	/nfs/dbraw/zinc/57/10/52/1075571052.db2.gz	QIDQZANRCFCWRZ-QGZVFWFLSA-N	1	1	404.511	1.668	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000448291312	1075571382	/nfs/dbraw/zinc/57/13/82/1075571382.db2.gz	LRGGWQGLWFXESI-AWEZNQCLSA-N	1	1	411.432	2.173	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000731918965	1075571582	/nfs/dbraw/zinc/57/15/82/1075571582.db2.gz	CYXJKJGEXKEYJC-UHFFFAOYSA-N	1	1	402.447	1.491	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1	ZINC000731919215	1075571606	/nfs/dbraw/zinc/57/16/06/1075571606.db2.gz	MRMJFHZKCWJYIC-UHFFFAOYSA-N	1	1	416.474	1.768	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)CCO2	ZINC000676522220	1075576514	/nfs/dbraw/zinc/57/65/14/1075576514.db2.gz	IAWHLYVDITXIQM-LJQANCHMSA-N	1	1	417.506	1.348	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)CCO2	ZINC000676531885	1075576899	/nfs/dbraw/zinc/57/68/99/1075576899.db2.gz	UFQKYZYSRWVRRY-MAUKXSAKSA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)CCO2	ZINC000676531885	1075576904	/nfs/dbraw/zinc/57/69/04/1075576904.db2.gz	UFQKYZYSRWVRRY-MAUKXSAKSA-N	1	1	419.522	1.329	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1c1cnn(C)c1	ZINC000676542120	1075580333	/nfs/dbraw/zinc/58/03/33/1075580333.db2.gz	JBIUXZLECKPCNO-LTDCPUDJSA-N	1	1	400.527	1.572	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(-n2ccnc2)cc1	ZINC000731981383	1075582880	/nfs/dbraw/zinc/58/28/80/1075582880.db2.gz	KNBXOKPZZNQACP-FQEVSTJZSA-N	1	1	411.506	1.202	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1	ZINC000731984661	1075583668	/nfs/dbraw/zinc/58/36/68/1075583668.db2.gz	MUZMBUSXJSUHIN-AHKGRUIUSA-N	1	1	421.501	1.790	20	0		HDADMO
CN(C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000474619337	1075588883	/nfs/dbraw/zinc/58/88/83/1075588883.db2.gz	DXKYFKGOFSAQDU-FQEVSTJZSA-N	1	1	412.538	1.954	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cnn(Cc2ccccn2)c1	ZINC000676544899	1075590875	/nfs/dbraw/zinc/59/08/75/1075590875.db2.gz	UGMUGSZUYIRBPT-SFHVURJKSA-N	1	1	408.462	1.811	20	0		HDADMO
CN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732034690	1075592191	/nfs/dbraw/zinc/59/21/91/1075592191.db2.gz	GGNXYTDBWRLWCN-AWEZNQCLSA-N	1	1	406.533	1.607	20	0		HDADMO
Cn1c(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000539187969	1075593222	/nfs/dbraw/zinc/59/32/22/1075593222.db2.gz	FWEGIOGNCGEOEJ-UHFFFAOYSA-N	1	1	404.515	1.598	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000676546630	1075593657	/nfs/dbraw/zinc/59/36/57/1075593657.db2.gz	KOHXDWMRWUGHKQ-CYBMUJFWSA-N	1	1	403.405	1.097	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1nc2ccccc2s1	ZINC000804171211	1075602282	/nfs/dbraw/zinc/60/22/82/1075602282.db2.gz	FAWFUUGHMVGBOK-KGLIPLIRSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1nc2ccccc2s1	ZINC000804171211	1075602288	/nfs/dbraw/zinc/60/22/88/1075602288.db2.gz	FAWFUUGHMVGBOK-KGLIPLIRSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1	ZINC000468698793	1075602401	/nfs/dbraw/zinc/60/24/01/1075602401.db2.gz	BQFCFPYNBBLNQV-QGZVFWFLSA-N	1	1	408.568	2.019	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1nc2ccccc2s1	ZINC000804173026	1075602608	/nfs/dbraw/zinc/60/26/08/1075602608.db2.gz	XUQJTLBYRIRTES-UONOGXRCSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1nc2ccccc2s1	ZINC000804173026	1075602609	/nfs/dbraw/zinc/60/26/09/1075602609.db2.gz	XUQJTLBYRIRTES-UONOGXRCSA-N	1	1	404.536	1.777	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)[NH+]2CCCC2)o1	ZINC000804176200	1075603617	/nfs/dbraw/zinc/60/36/17/1075603617.db2.gz	GJAUCSBXAWOYCI-MSOLQXFVSA-N	1	1	419.522	1.843	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C	ZINC000804178927	1075604762	/nfs/dbraw/zinc/60/47/62/1075604762.db2.gz	ZQXFYGNTVBUORP-RDJZCZTQSA-N	1	1	408.543	1.445	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)[NH+]2CCCC2)o1	ZINC000804178826	1075605152	/nfs/dbraw/zinc/60/51/52/1075605152.db2.gz	QIILBUYQXHQBIN-DLBZAZTESA-N	1	1	405.495	1.453	20	0		HDADMO
Cc1c(C(=O)NCCOc2ncccc2F)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676588320	1075606495	/nfs/dbraw/zinc/60/64/95/1075606495.db2.gz	VRCLAILTXOVFGR-UHFFFAOYSA-N	1	1	410.453	1.907	20	0		HDADMO
C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C[C@@H]1C	ZINC000543680494	1075609839	/nfs/dbraw/zinc/60/98/39/1075609839.db2.gz	QIXPXDKKBHZQOA-KNXWPPODSA-N	1	1	412.600	1.217	20	0		HDADMO
CCc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO	ZINC001546537364	1075612188	/nfs/dbraw/zinc/61/21/88/1075612188.db2.gz	QJWULQMRCIHYEH-HOTGVXAUSA-N	1	1	418.508	1.760	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1	ZINC000676616064	1075617237	/nfs/dbraw/zinc/61/72/37/1075617237.db2.gz	JAZADPMJSKBHHB-CQSZACIVSA-N	1	1	422.480	1.760	20	0		HDADMO
c1ccc(CN2CCCO[C@@H](C[NH2+]C3CCN(CCN4CCOCC4)CC3)C2)cc1	ZINC000429451411	1075617565	/nfs/dbraw/zinc/61/75/65/1075617565.db2.gz	XRPRIRMLLGRPGA-DEOSSOPVSA-N	1	1	416.610	1.664	20	0		HDADMO
c1ccc(CN2CCCO[C@H](C[NH2+]C3CCN(CCN4CCOCC4)CC3)C2)cc1	ZINC000429451415	1075617634	/nfs/dbraw/zinc/61/76/34/1075617634.db2.gz	XRPRIRMLLGRPGA-XMMPIXPASA-N	1	1	416.610	1.664	20	0		HDADMO
CCN(C)c1ccccc1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000732081282	1075619365	/nfs/dbraw/zinc/61/93/65/1075619365.db2.gz	UGTKBLTXWPKYRI-HXUWFJFHSA-N	1	1	402.539	1.472	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCOCC1	ZINC000676622546	1075621311	/nfs/dbraw/zinc/62/13/11/1075621311.db2.gz	DBONSDAPGKRINO-INIZCTEOSA-N	1	1	405.495	1.330	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCOCC1	ZINC000676623152	1075622111	/nfs/dbraw/zinc/62/21/11/1075622111.db2.gz	STVRUJAAYLIRJZ-IRXDYDNUSA-N	1	1	419.522	1.546	20	0		HDADMO
Cc1ccc(CNC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)c(N2CCCC2)[nH+]1	ZINC000804183598	1075624523	/nfs/dbraw/zinc/62/45/23/1075624523.db2.gz	QAJAHYXSTGTCJD-UHFFFAOYSA-N	1	1	419.526	1.590	20	0		HDADMO
C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C[C@@H](O)C1CC1	ZINC000676633246	1075625638	/nfs/dbraw/zinc/62/56/38/1075625638.db2.gz	VTNJCWAUUFLZSC-LJQANCHMSA-N	1	1	409.552	1.893	20	0		HDADMO
C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C[C@@H](O)C1CC1	ZINC000676633246	1075625639	/nfs/dbraw/zinc/62/56/39/1075625639.db2.gz	VTNJCWAUUFLZSC-LJQANCHMSA-N	1	1	409.552	1.893	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000485333738	1075626649	/nfs/dbraw/zinc/62/66/49/1075626649.db2.gz	XBNYTPFEXCSZNH-KRWDZBQOSA-N	1	1	411.554	1.914	20	0		HDADMO
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1=O	ZINC000732127580	1075630638	/nfs/dbraw/zinc/63/06/38/1075630638.db2.gz	LLYVHBLWANALHQ-PGRDOPGGSA-N	1	1	414.506	1.167	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(I)cc1	ZINC000543681090	1075632240	/nfs/dbraw/zinc/63/22/40/1075632240.db2.gz	XPZFSDCTZIPDRB-CYBMUJFWSA-N	1	1	424.304	1.680	20	0		HDADMO
Cn1cc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(=O)n(C)c1=O	ZINC000732134502	1075633040	/nfs/dbraw/zinc/63/30/40/1075633040.db2.gz	AGWBVGOMJNVZBT-KTKAISHGSA-N	1	1	408.502	1.409	20	0		HDADMO
Cn1c(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)nc2cc(F)ccc21	ZINC000732109200	1075634820	/nfs/dbraw/zinc/63/48/20/1075634820.db2.gz	JCSOTDCGVWRZPG-GOSISDBHSA-N	1	1	417.485	1.042	20	0		HDADMO
CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2nc(N)nc(Nc3ccccc3OC)n2)C1	ZINC000581289967	1075636962	/nfs/dbraw/zinc/63/69/62/1075636962.db2.gz	JKJXAOZNGLZMMX-NRFANRHFSA-N	1	1	414.510	2.039	20	0		HDADMO
CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2nc(N)nc(Nc3ccccc3OC)n2)C1	ZINC000581289967	1075636967	/nfs/dbraw/zinc/63/69/67/1075636967.db2.gz	JKJXAOZNGLZMMX-NRFANRHFSA-N	1	1	414.510	2.039	20	0		HDADMO
CN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000732166450	1075644553	/nfs/dbraw/zinc/64/45/53/1075644553.db2.gz	OFDBGTDNXMKWQQ-SECBINFHSA-N	1	1	408.343	1.467	20	0		HDADMO
CN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732166450	1075644558	/nfs/dbraw/zinc/64/45/58/1075644558.db2.gz	OFDBGTDNXMKWQQ-SECBINFHSA-N	1	1	408.343	1.467	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)OC(C)C	ZINC000676690474	1075652734	/nfs/dbraw/zinc/65/27/34/1075652734.db2.gz	LHAAZHXDXFONEO-IBGZPJMESA-N	1	1	421.538	1.193	20	0		HDADMO
CN(Cn1ncc(Br)c(Br)c1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732189971	1075654500	/nfs/dbraw/zinc/65/45/00/1075654500.db2.gz	VURUDCZCDMNFCK-SNVBAGLBSA-N	1	1	406.122	1.894	20	0		HDADMO
C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732190143	1075655821	/nfs/dbraw/zinc/65/58/21/1075655821.db2.gz	IJBBXALISWSYRU-AEFFLSMTSA-N	1	1	412.490	1.830	20	0		HDADMO
C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732190143	1075655824	/nfs/dbraw/zinc/65/58/24/1075655824.db2.gz	IJBBXALISWSYRU-AEFFLSMTSA-N	1	1	412.490	1.830	20	0		HDADMO
CN(CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732190107	1075655957	/nfs/dbraw/zinc/65/59/57/1075655957.db2.gz	WMNXJLPFAGMSDA-OAHLLOKOSA-N	1	1	421.295	1.870	20	0		HDADMO
Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676723294	1075659972	/nfs/dbraw/zinc/65/99/72/1075659972.db2.gz	COOFNIICZFFEAP-RBUKOAKNSA-N	1	1	424.549	1.896	20	0		HDADMO
CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1F	ZINC000676730220	1075663471	/nfs/dbraw/zinc/66/34/71/1075663471.db2.gz	MFOFMWFNIPTEIF-AWEZNQCLSA-N	1	1	419.544	1.738	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1	ZINC000732206804	1075664075	/nfs/dbraw/zinc/66/40/75/1075664075.db2.gz	DFXQFTXCQBXMPH-QGZVFWFLSA-N	1	1	404.486	1.135	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000732207115	1075664507	/nfs/dbraw/zinc/66/45/07/1075664507.db2.gz	QAIIKUHAONZPJV-CYBMUJFWSA-N	1	1	414.528	1.508	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1	ZINC000732207255	1075665793	/nfs/dbraw/zinc/66/57/93/1075665793.db2.gz	NYQCXLMBFOGBOX-JKSUJKDBSA-N	1	1	412.490	1.995	20	0		HDADMO
COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732211857	1075667668	/nfs/dbraw/zinc/66/76/68/1075667668.db2.gz	HRSAWTDIJRIWII-QGZVFWFLSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732211857	1075667670	/nfs/dbraw/zinc/66/76/70/1075667670.db2.gz	HRSAWTDIJRIWII-QGZVFWFLSA-N	1	1	419.522	1.806	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)CC1	ZINC000732210191	1075667691	/nfs/dbraw/zinc/66/76/91/1075667691.db2.gz	DZLNNTGNKSWHDZ-LJQANCHMSA-N	1	1	406.571	1.569	20	0		HDADMO
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21	ZINC000732214593	1075669891	/nfs/dbraw/zinc/66/98/91/1075669891.db2.gz	KTZBVNQWDZCIJG-GDBMZVCRSA-N	1	1	404.492	1.810	20	0		HDADMO
C[C@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1=O	ZINC000429461318	1075672690	/nfs/dbraw/zinc/67/26/90/1075672690.db2.gz	IYCKKAHMMNSTBD-OCBLOMHFSA-N	1	1	406.571	1.917	20	0		HDADMO
CCOC(=O)C1C(C[NH2+]C2(CO)CCOCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000732204860	1075675683	/nfs/dbraw/zinc/67/56/83/1075675683.db2.gz	USEZVWOKVAWHIJ-QGZVFWFLSA-N	1	1	423.897	1.642	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)C1	ZINC000604389661	1075684660	/nfs/dbraw/zinc/68/46/60/1075684660.db2.gz	HBCCUTNKSCZYBJ-KRWDZBQOSA-N	1	1	400.506	1.548	20	0		HDADMO
COc1cccc([C@H](O)CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000732234689	1075685511	/nfs/dbraw/zinc/68/55/11/1075685511.db2.gz	VDOHOQYOEXPQJC-VQTJNVASSA-N	1	1	412.490	2.000	20	0		HDADMO
COc1cccc([C@H](O)CNC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000732234689	1075685515	/nfs/dbraw/zinc/68/55/15/1075685515.db2.gz	VDOHOQYOEXPQJC-VQTJNVASSA-N	1	1	412.490	2.000	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCS1	ZINC000509438161	1075695260	/nfs/dbraw/zinc/69/52/60/1075695260.db2.gz	LUHYRESHHOXHTD-UYAOXDASSA-N	1	1	418.607	1.913	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC[N@@H+]1CCO	ZINC000429256972	1075698910	/nfs/dbraw/zinc/69/89/10/1075698910.db2.gz	MTDAPNXPWHOQPO-KRWDZBQOSA-N	1	1	424.567	1.782	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC[N@H+]1CCO	ZINC000429256972	1075698912	/nfs/dbraw/zinc/69/89/12/1075698912.db2.gz	MTDAPNXPWHOQPO-KRWDZBQOSA-N	1	1	424.567	1.782	20	0		HDADMO
CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509437680	1075700040	/nfs/dbraw/zinc/70/00/40/1075700040.db2.gz	KTXBOGWIBDFSCH-MSOLQXFVSA-N	1	1	406.596	1.913	20	0		HDADMO
COc1cc2[nH+]c(NCCS(=O)(=O)c3ccc(F)cc3)nc(N)c2cc1OC	ZINC000481811726	1075702345	/nfs/dbraw/zinc/70/23/45/1075702345.db2.gz	CUFLZGAMZAOWSU-UHFFFAOYSA-N	1	1	406.439	1.676	20	0		HDADMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)Nc3nc4ccccn4n3)CC2)C[C@@H](C)O1	ZINC000545404355	1075702410	/nfs/dbraw/zinc/70/24/10/1075702410.db2.gz	RCRRFBKAFNTTRE-HZPDHXFCSA-N	1	1	402.499	1.851	20	0		HDADMO
COc1cc2[nH+]c(NCc3cccc(S(=O)(=O)N(C)C)c3)nc(N)c2cc1OC	ZINC000580234083	1075703025	/nfs/dbraw/zinc/70/30/25/1075703025.db2.gz	GGTVUNIFEXYUMW-UHFFFAOYSA-N	1	1	417.491	1.514	20	0		HDADMO
COc1cc2[nH+]c(N3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)nc(N)c2cc1OC	ZINC000584015434	1075705276	/nfs/dbraw/zinc/70/52/76/1075705276.db2.gz	HAAAOBGXUZJOCR-LBPRGKRZSA-N	1	1	421.523	1.527	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+](C)C2(CO)CCC2)C2CCCC2)c(=O)[nH]c1=O	ZINC000429260473	1075707997	/nfs/dbraw/zinc/70/79/97/1075707997.db2.gz	WVLRTBUPMTYFKM-UHFFFAOYSA-N	1	1	421.542	1.454	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1	ZINC000732339051	1075708669	/nfs/dbraw/zinc/70/86/69/1075708669.db2.gz	IXBCKKHLFGGZOS-UHFFFAOYSA-N	1	1	421.453	1.380	20	0		HDADMO
CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509440642	1075711886	/nfs/dbraw/zinc/71/18/86/1075711886.db2.gz	SNCLPLMCLHWEDM-IPMKNSEASA-N	1	1	402.539	1.339	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(C)(C)CCCO	ZINC000509439173	1075714225	/nfs/dbraw/zinc/71/42/25/1075714225.db2.gz	OKAPGPLAUCYNDW-SFHVURJKSA-N	1	1	404.555	1.228	20	0		HDADMO
Cc1ccncc1CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509438708	1075716451	/nfs/dbraw/zinc/71/64/51/1075716451.db2.gz	NOSWPYFKLSONBH-IBGZPJMESA-N	1	1	409.534	1.675	20	0		HDADMO
Nc1nccc([C@@H]2CCC[N@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)C2)n1	ZINC000558737725	1075719621	/nfs/dbraw/zinc/71/96/21/1075719621.db2.gz	GJXDHWYNFNVEMA-GOSISDBHSA-N	1	1	409.534	2.103	20	0		HDADMO
Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)C2)n1	ZINC000558737725	1075719628	/nfs/dbraw/zinc/71/96/28/1075719628.db2.gz	GJXDHWYNFNVEMA-GOSISDBHSA-N	1	1	409.534	2.103	20	0		HDADMO
CC(=O)N1CC[NH+](CCOc2ccc(CCNc3ccc4nc(C)nn4n3)cc2)CC1	ZINC000553367512	1075720650	/nfs/dbraw/zinc/72/06/50/1075720650.db2.gz	QFRAWFVDTITCLP-UHFFFAOYSA-N	1	1	423.521	1.630	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1	ZINC000509254535	1075724996	/nfs/dbraw/zinc/72/49/96/1075724996.db2.gz	BKAPJVZNAYHNCC-HOTGVXAUSA-N	1	1	414.597	1.742	20	0		HDADMO
C[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C1(CO)CCC1	ZINC000429260745	1075727276	/nfs/dbraw/zinc/72/72/76/1075727276.db2.gz	NUNZTOLYHCBGEZ-UHFFFAOYSA-N	1	1	409.552	1.324	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCSC(C)(C)C1	ZINC000509441695	1075732211	/nfs/dbraw/zinc/73/22/11/1075732211.db2.gz	XLKOHPSIFZLLHF-QGZVFWFLSA-N	1	1	404.580	1.667	20	0		HDADMO
CO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1C	ZINC000509442913	1075734254	/nfs/dbraw/zinc/73/42/54/1075734254.db2.gz	VJFOSVILNARILR-NLWGTHIKSA-N	1	1	402.539	1.197	20	0		HDADMO
C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[N@H+]1C	ZINC000509258963	1075738014	/nfs/dbraw/zinc/73/80/14/1075738014.db2.gz	QHEMBGSTDDJKAM-OAGGEKHMSA-N	1	1	414.597	1.883	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCSCC[C@@H]1C	ZINC000509443307	1075739543	/nfs/dbraw/zinc/73/95/43/1075739543.db2.gz	ZCIPDJAOYRCUMG-MSOLQXFVSA-N	1	1	404.580	1.667	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)CCc3c(C)nc4nc(N)nn4c3C)CC2)nc(C)[nH+]1	ZINC000488876341	1075741395	/nfs/dbraw/zinc/74/13/95/1075741395.db2.gz	GVCYSMFQUMZHJY-UHFFFAOYSA-N	1	1	423.525	1.448	20	0		HDADMO
CC(=O)NCc1ccc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)cc1	ZINC000543689249	1075745737	/nfs/dbraw/zinc/74/57/37/1075745737.db2.gz	OAZIFWKOVWPGRO-UHFFFAOYSA-N	1	1	422.595	1.361	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCCC[C@@H]3C3OCCO3)cc2)CC1	ZINC000732445016	1075746543	/nfs/dbraw/zinc/74/65/43/1075746543.db2.gz	WLJZBFWEUYDJIM-HXUWFJFHSA-N	1	1	402.539	1.871	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N1CCCC[C@@H]1CN1CCCC1=O	ZINC000732445557	1075747442	/nfs/dbraw/zinc/74/74/42/1075747442.db2.gz	NLGOFVVGLMMIDD-OAQYLSRUSA-N	1	1	413.566	1.995	20	0		HDADMO
CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1	ZINC000732485520	1075748159	/nfs/dbraw/zinc/74/81/59/1075748159.db2.gz	WWVSYYSQFGQQGF-AWEZNQCLSA-N	1	1	421.929	1.015	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1	ZINC000429476821	1075755016	/nfs/dbraw/zinc/75/50/16/1075755016.db2.gz	OWLWPVDCSUYEJU-GOSISDBHSA-N	1	1	421.586	1.362	20	0		HDADMO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509265735	1075758635	/nfs/dbraw/zinc/75/86/35/1075758635.db2.gz	BFURHPKCMBGQOZ-LSDHHAIUSA-N	1	1	400.570	1.352	20	0		HDADMO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)CC1	ZINC000509447412	1075759548	/nfs/dbraw/zinc/75/95/48/1075759548.db2.gz	BVASNNIOCNCSQH-LJQANCHMSA-N	1	1	415.582	1.629	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)Cc1ccc(F)cc1	ZINC000530899881	1075761284	/nfs/dbraw/zinc/76/12/84/1075761284.db2.gz	COVWDXZXHMUTSD-UHFFFAOYSA-N	1	1	410.453	1.652	20	0		HDADMO
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)cc1	ZINC000543690195	1075762055	/nfs/dbraw/zinc/76/20/55/1075762055.db2.gz	ZJEZCNKMDCPMOG-UHFFFAOYSA-N	1	1	423.579	1.902	20	0		HDADMO
CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1	ZINC000732484880	1075762269	/nfs/dbraw/zinc/76/22/69/1075762269.db2.gz	JTVIQRMWNQXVEW-NRFANRHFSA-N	1	1	409.534	1.624	20	0		HDADMO
CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1	ZINC000732484882	1075762411	/nfs/dbraw/zinc/76/24/11/1075762411.db2.gz	JTVIQRMWNQXVEW-OAQYLSRUSA-N	1	1	409.534	1.624	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC1CCCC1	ZINC000732486076	1075763171	/nfs/dbraw/zinc/76/31/71/1075763171.db2.gz	WYAATSYTNDCTHW-MRXNPFEDSA-N	1	1	404.511	1.317	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1CC1	ZINC000804224455	1075776323	/nfs/dbraw/zinc/77/63/23/1075776323.db2.gz	PYCCZJRHAKHQDO-QFIPXVFZSA-N	1	1	422.570	1.837	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)C1CC1	ZINC000804225729	1075777771	/nfs/dbraw/zinc/77/77/71/1075777771.db2.gz	SKIWJJFSRQGWIR-HNNXBMFYSA-N	1	1	410.559	1.739	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C	ZINC000732559268	1075785669	/nfs/dbraw/zinc/78/56/69/1075785669.db2.gz	KAQDJVXJSORMJI-GOSISDBHSA-N	1	1	420.554	1.675	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C	ZINC000732559268	1075785672	/nfs/dbraw/zinc/78/56/72/1075785672.db2.gz	KAQDJVXJSORMJI-GOSISDBHSA-N	1	1	420.554	1.675	20	0		HDADMO
CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)c(=O)c1	ZINC000486823290	1075790336	/nfs/dbraw/zinc/79/03/36/1075790336.db2.gz	KKLIVKYHNRITBZ-WERVVEIQSA-N	1	1	421.586	1.195	20	0		HDADMO
CC(C)N(C)c1cnn([C@H]2CCCN(C[C@@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)C2)c(=O)c1	ZINC000486823290	1075790338	/nfs/dbraw/zinc/79/03/38/1075790338.db2.gz	KKLIVKYHNRITBZ-WERVVEIQSA-N	1	1	421.586	1.195	20	0		HDADMO
O=C(NCCn1cc(Br)ccc1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC001129299470	1075790379	/nfs/dbraw/zinc/79/03/79/1075790379.db2.gz	KWGQWYOHMBWVPJ-QGZVFWFLSA-N	1	1	420.307	1.628	20	0		HDADMO
O=C(NCCn1cc(Br)ccc1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC001129299470	1075790384	/nfs/dbraw/zinc/79/03/84/1075790384.db2.gz	KWGQWYOHMBWVPJ-QGZVFWFLSA-N	1	1	420.307	1.628	20	0		HDADMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@@H]1Cc1ccccc1	ZINC000551760192	1075790949	/nfs/dbraw/zinc/79/09/49/1075790949.db2.gz	PNXSIZPZUVDMGQ-NRFANRHFSA-N	1	1	417.513	2.255	20	0		HDADMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@@H]1Cc1ccccc1	ZINC000551760192	1075790954	/nfs/dbraw/zinc/79/09/54/1075790954.db2.gz	PNXSIZPZUVDMGQ-NRFANRHFSA-N	1	1	417.513	2.255	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(S(C)(=O)=O)cn2)[C@@H](c2cnn(C)c2)C1	ZINC001129302042	1075795853	/nfs/dbraw/zinc/79/58/53/1075795853.db2.gz	RHBWXNQREPJKKZ-DLBZAZTESA-N	1	1	405.524	1.671	20	0		HDADMO
CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1	ZINC001129306806	1075799385	/nfs/dbraw/zinc/79/93/85/1075799385.db2.gz	CAORARGBMSYGDE-JKSUJKDBSA-N	1	1	401.477	1.988	20	0		HDADMO
CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1	ZINC001129306806	1075799389	/nfs/dbraw/zinc/79/93/89/1075799389.db2.gz	CAORARGBMSYGDE-JKSUJKDBSA-N	1	1	401.477	1.988	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC[N@H+](C2CCC2)C1	ZINC000551280928	1075803961	/nfs/dbraw/zinc/80/39/61/1075803961.db2.gz	VUUQIWGJSYDGFT-QGZVFWFLSA-N	1	1	410.522	1.792	20	0		HDADMO
CCc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1CC	ZINC000487866327	1075804895	/nfs/dbraw/zinc/80/48/95/1075804895.db2.gz	CDOZPADFFVKRDT-LJQANCHMSA-N	1	1	402.539	1.809	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=S)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732623354	1075809499	/nfs/dbraw/zinc/80/94/99/1075809499.db2.gz	AGZCOZJMTJSWMT-ZDUSSCGKSA-N	1	1	416.535	1.496	20	0		HDADMO
C[C@H]1C[C@H](N(C)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@H+]1Cc1ccccc1	ZINC000475858280	1075814761	/nfs/dbraw/zinc/81/47/61/1075814761.db2.gz	UVWHRCFVBUHDMI-FUHWJXTLSA-N	1	1	413.526	1.883	20	0		HDADMO
C[N@@H+](CCCCF)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000509277328	1075816942	/nfs/dbraw/zinc/81/69/42/1075816942.db2.gz	ALDQILXTSVRING-UHFFFAOYSA-N	1	1	421.922	1.981	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611037170	1075818342	/nfs/dbraw/zinc/81/83/42/1075818342.db2.gz	DOVVWXNOOLPAOT-LSDHHAIUSA-N	1	1	411.524	1.716	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000611045658	1075820252	/nfs/dbraw/zinc/82/02/52/1075820252.db2.gz	HPPGCSQJGMOUMZ-OALUTQOASA-N	1	1	423.554	1.282	20	0		HDADMO
O=C(/C=C/C1CCOCC1)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000732635181	1075820541	/nfs/dbraw/zinc/82/05/41/1075820541.db2.gz	YYSQMYAVKBBFKB-SNAWJCMRSA-N	1	1	401.507	1.946	20	0		HDADMO
COC(=O)c1[nH]c(C)cc1NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000611064562	1075823457	/nfs/dbraw/zinc/82/34/57/1075823457.db2.gz	BNQPPRPFUGHHFJ-UHFFFAOYSA-N	1	1	405.499	1.518	20	0		HDADMO
CC[N@H+]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)C[C@@H]1C	ZINC000611088280	1075827561	/nfs/dbraw/zinc/82/75/61/1075827561.db2.gz	NPYDGSOOAYXQJG-HOCLYGCPSA-N	1	1	417.572	1.778	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCCCNc2ccc(C)c[nH+]2)c1	ZINC000548444707	1075848106	/nfs/dbraw/zinc/84/81/06/1075848106.db2.gz	VXGGKSUJXQEWMU-OAHLLOKOSA-N	1	1	405.524	2.161	20	0		HDADMO
CC(C)N1CC[C@H](Nc2cc(N[C@H]3CCN(C(C)C)C3=O)c3ccncc3[nH+]2)C1=O	ZINC000576061097	1075848227	/nfs/dbraw/zinc/84/82/27/1075848227.db2.gz	IHULZQVEZQWRPE-IRXDYDNUSA-N	1	1	410.522	2.472	20	0		HDADMO
Cc1ncc(/C=C/C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)s1	ZINC000732765333	1075848355	/nfs/dbraw/zinc/84/83/55/1075848355.db2.gz	ZABUEPSVYMQXJA-SNAWJCMRSA-N	1	1	405.568	1.162	20	0		HDADMO
CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c1	ZINC000611133534	1075849246	/nfs/dbraw/zinc/84/92/46/1075849246.db2.gz	NZGOIDLGURJKGI-CYBMUJFWSA-N	1	1	405.314	1.998	20	0		HDADMO
CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000611133534	1075849252	/nfs/dbraw/zinc/84/92/52/1075849252.db2.gz	NZGOIDLGURJKGI-CYBMUJFWSA-N	1	1	405.314	1.998	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([S@@](C)=O)cc1	ZINC000611121638	1075850316	/nfs/dbraw/zinc/85/03/16/1075850316.db2.gz	ILMCSZAFEQFJNG-BTGFUCPRSA-N	1	1	408.568	1.191	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000732773114	1075852868	/nfs/dbraw/zinc/85/28/68/1075852868.db2.gz	IBDZVPPEFSRJOF-UHFFFAOYSA-N	1	1	406.552	1.696	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)c(=O)[nH]c21	ZINC000732779226	1075863879	/nfs/dbraw/zinc/86/38/79/1075863879.db2.gz	BDWCKHYFWNGKMO-PYTPGESOSA-N	1	1	412.538	1.603	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)c(=O)[nH]c21	ZINC000732779226	1075863883	/nfs/dbraw/zinc/86/38/83/1075863883.db2.gz	BDWCKHYFWNGKMO-PYTPGESOSA-N	1	1	412.538	1.603	20	0		HDADMO
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732778776	1075864177	/nfs/dbraw/zinc/86/41/77/1075864177.db2.gz	IYCSBYTWVSSPQW-WBVHZDCISA-N	1	1	414.616	1.918	20	0		HDADMO
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732778776	1075864179	/nfs/dbraw/zinc/86/41/79/1075864179.db2.gz	IYCSBYTWVSSPQW-WBVHZDCISA-N	1	1	414.616	1.918	20	0		HDADMO
CCOc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2=O)cc1	ZINC000732781525	1075864743	/nfs/dbraw/zinc/86/47/43/1075864743.db2.gz	RMTKEGHYZRWMPA-ZWKOTPCHSA-N	1	1	414.550	1.723	20	0		HDADMO
CCOc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2=O)cc1	ZINC000732781525	1075864748	/nfs/dbraw/zinc/86/47/48/1075864748.db2.gz	RMTKEGHYZRWMPA-ZWKOTPCHSA-N	1	1	414.550	1.723	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(C(=O)c2cc(F)ccc2I)CC1	ZINC000611165918	1075865185	/nfs/dbraw/zinc/86/51/85/1075865185.db2.gz	IZUYIAPYUACCPZ-UHFFFAOYSA-N	1	1	406.239	1.959	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=S)N=NC3c3cccs3)C2)CC1	ZINC000732780986	1075865478	/nfs/dbraw/zinc/86/54/78/1075865478.db2.gz	NZYHKBWXTWYGOQ-ZDUSSCGKSA-N	1	1	406.581	1.580	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CN3C(=S)N=NC3c3cccs3)C2)CC1	ZINC000732780986	1075865485	/nfs/dbraw/zinc/86/54/85/1075865485.db2.gz	NZYHKBWXTWYGOQ-ZDUSSCGKSA-N	1	1	406.581	1.580	20	0		HDADMO
CC(C)CN(C(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429301870	1075866088	/nfs/dbraw/zinc/86/60/88/1075866088.db2.gz	OXEKGGOQUJUBOZ-MUJYYYPQSA-N	1	1	423.558	1.410	20	0		HDADMO
CC(C)CN(C(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429301870	1075866094	/nfs/dbraw/zinc/86/60/94/1075866094.db2.gz	OXEKGGOQUJUBOZ-MUJYYYPQSA-N	1	1	423.558	1.410	20	0		HDADMO
CCOC(=O)c1cnn2c1nccc2C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000611212202	1075875115	/nfs/dbraw/zinc/87/51/15/1075875115.db2.gz	PWZAPQWYWWBPDB-MRXNPFEDSA-N	1	1	414.510	1.147	20	0		HDADMO
CCOC(=O)c1cnn2c1nccc2C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000611212202	1075875116	/nfs/dbraw/zinc/87/51/16/1075875116.db2.gz	PWZAPQWYWWBPDB-MRXNPFEDSA-N	1	1	414.510	1.147	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732815527	1075876048	/nfs/dbraw/zinc/87/60/48/1075876048.db2.gz	WNVXXTMIRQKSCC-LFTLCWSBSA-N	1	1	409.430	1.061	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732815526	1075876085	/nfs/dbraw/zinc/87/60/85/1075876085.db2.gz	WNVXXTMIRQKSCC-KAQJVSAMSA-N	1	1	409.430	1.061	20	0		HDADMO
CCOC(=O)c1cnn2c1nccc2C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000611200236	1075876256	/nfs/dbraw/zinc/87/62/56/1075876256.db2.gz	PIUGBXLVUKXUOH-HNNXBMFYSA-N	1	1	401.467	1.233	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(Cc2ccsc2)CC1	ZINC000732808308	1075882964	/nfs/dbraw/zinc/88/29/64/1075882964.db2.gz	DHRUQBZONGMWGS-LJQANCHMSA-N	1	1	404.580	1.869	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)N1CCN(Cc2ccsc2)CC1	ZINC000732808308	1075882967	/nfs/dbraw/zinc/88/29/67/1075882967.db2.gz	DHRUQBZONGMWGS-LJQANCHMSA-N	1	1	404.580	1.869	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](N3CCCCC3=O)C2)CC1=O	ZINC000732839199	1075883378	/nfs/dbraw/zinc/88/33/78/1075883378.db2.gz	SJKGSVXWAUWPPV-OTWHNJEPSA-N	1	1	404.555	1.323	20	0		HDADMO
COC(=O)[C@@]1(NCC(=O)N(C)CC(F)(F)F)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265865	1075888896	/nfs/dbraw/zinc/88/88/96/1075888896.db2.gz	MXGXNZVXERCIJJ-GOSISDBHSA-N	1	1	401.429	1.805	20	0		HDADMO
COC(=O)[C@@]1(NCC(=O)N(C)CC(F)(F)F)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265865	1075888902	/nfs/dbraw/zinc/88/89/02/1075888902.db2.gz	MXGXNZVXERCIJJ-GOSISDBHSA-N	1	1	401.429	1.805	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N2C[C@@H](C)O[C@H](C)C2)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265833	1075889390	/nfs/dbraw/zinc/88/93/90/1075889390.db2.gz	JWKQFSVHOQPVRM-HMFYCAOWSA-N	1	1	403.523	1.420	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N2C[C@@H](C)O[C@H](C)C2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265833	1075889393	/nfs/dbraw/zinc/88/93/93/1075889393.db2.gz	JWKQFSVHOQPVRM-HMFYCAOWSA-N	1	1	403.523	1.420	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[NH+]1CCOCC1	ZINC000732885979	1075892330	/nfs/dbraw/zinc/89/23/30/1075892330.db2.gz	SBRANPUZTIRMTK-HZPDHXFCSA-N	1	1	422.492	1.928	20	0		HDADMO
CC(C)[C@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)N1CC[NH+](C)CC1	ZINC000732885841	1075892766	/nfs/dbraw/zinc/89/27/66/1075892766.db2.gz	QZNHKFUTDANOGY-GJZGRUSLSA-N	1	1	407.481	1.063	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000732887205	1075893259	/nfs/dbraw/zinc/89/32/59/1075893259.db2.gz	HUMLDRCEHVDKCD-ZWKOTPCHSA-N	1	1	407.559	1.116	20	0		HDADMO
C[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1	ZINC000732888700	1075893307	/nfs/dbraw/zinc/89/33/07/1075893307.db2.gz	CIKXUPGFAGGUPU-OAHLLOKOSA-N	1	1	411.547	1.143	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)cc2)C[C@H](C)O1	ZINC000732895503	1075896092	/nfs/dbraw/zinc/89/60/92/1075896092.db2.gz	BGTCUOQFLBDEMH-IYBDPMFKSA-N	1	1	406.552	1.404	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611321426	1075899772	/nfs/dbraw/zinc/89/97/72/1075899772.db2.gz	OXHOTVUZFJFFBM-KBPBESRZSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611321426	1075899778	/nfs/dbraw/zinc/89/97/78/1075899778.db2.gz	OXHOTVUZFJFFBM-KBPBESRZSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000611322369	1075900172	/nfs/dbraw/zinc/90/01/72/1075900172.db2.gz	XGPZFAWPWJSTQG-ZDUSSCGKSA-N	1	1	405.451	1.975	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000611322369	1075900174	/nfs/dbraw/zinc/90/01/74/1075900174.db2.gz	XGPZFAWPWJSTQG-ZDUSSCGKSA-N	1	1	405.451	1.975	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611322317	1075900410	/nfs/dbraw/zinc/90/04/10/1075900410.db2.gz	PPUJFEPFHQILGG-IRXDYDNUSA-N	1	1	403.527	1.425	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611323955	1075901084	/nfs/dbraw/zinc/90/10/84/1075901084.db2.gz	YMKKMPGWUCPEGM-KRWDZBQOSA-N	1	1	403.527	1.427	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Cl	ZINC000611365459	1075919793	/nfs/dbraw/zinc/91/97/93/1075919793.db2.gz	SYJZGMSPUZYLRJ-DLBZAZTESA-N	1	1	423.897	1.513	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)[C@H](C)C1	ZINC000611384804	1075923102	/nfs/dbraw/zinc/92/31/02/1075923102.db2.gz	WMESZLPFDUQPFV-ZIFCJYIRSA-N	1	1	401.507	1.692	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)[C@H](C)C1	ZINC000611384804	1075923104	/nfs/dbraw/zinc/92/31/04/1075923104.db2.gz	WMESZLPFDUQPFV-ZIFCJYIRSA-N	1	1	401.507	1.692	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)[C@H](C)C1	ZINC000611401387	1075925388	/nfs/dbraw/zinc/92/53/88/1075925388.db2.gz	QMEHBTODCRKHJO-DNVCBOLYSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)[C@H](C)C1	ZINC000611401387	1075925389	/nfs/dbraw/zinc/92/53/89/1075925389.db2.gz	QMEHBTODCRKHJO-DNVCBOLYSA-N	1	1	407.486	1.676	20	0		HDADMO
C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1	ZINC000732970748	1075928629	/nfs/dbraw/zinc/92/86/29/1075928629.db2.gz	JLQGASVBPNYAQR-OAHLLOKOSA-N	1	1	405.524	1.726	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000732960308	1075932511	/nfs/dbraw/zinc/93/25/11/1075932511.db2.gz	FPCPUIJHNPQSKA-BRWVUGGUSA-N	1	1	424.567	1.232	20	0		HDADMO
CC[C@@H](CNC(=O)N(CCO)CCN1CCOCC1)[N@H+]1CCc2ccccc2C1	ZINC000489841308	1075934567	/nfs/dbraw/zinc/93/45/67/1075934567.db2.gz	MKPOLBGRXIQOIC-NRFANRHFSA-N	1	1	404.555	1.159	20	0		HDADMO
CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+](CCO)CCc1ccccc1)C2=O	ZINC000732983243	1075937355	/nfs/dbraw/zinc/93/73/55/1075937355.db2.gz	NWYWVMBMEGUIDV-UHFFFAOYSA-N	1	1	402.495	1.055	20	0		HDADMO
CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](CCO)CCc1ccccc1)C2=O	ZINC000732983243	1075937357	/nfs/dbraw/zinc/93/73/57/1075937357.db2.gz	NWYWVMBMEGUIDV-UHFFFAOYSA-N	1	1	402.495	1.055	20	0		HDADMO
C[C@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCC[C@H](C)C1	ZINC000732998547	1075943972	/nfs/dbraw/zinc/94/39/72/1075943972.db2.gz	MHDWRWINWAFFJQ-UONOGXRCSA-N	1	1	410.531	1.670	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)C2CCS(=O)(=O)CC2)CC1	ZINC000733029115	1075946731	/nfs/dbraw/zinc/94/67/31/1075946731.db2.gz	IDPXZJOIADKVFI-UHFFFAOYSA-N	1	1	422.547	1.397	20	0		HDADMO
COC(=O)C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)c1ccc(OC)cc1	ZINC000611545693	1075959586	/nfs/dbraw/zinc/95/95/86/1075959586.db2.gz	LJZXLDANBSEBDI-KRWDZBQOSA-N	1	1	423.429	1.635	20	0		HDADMO
Cc1nc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]4COC[C@@H]43)CC2)co1	ZINC001079263504	1075968315	/nfs/dbraw/zinc/96/83/15/1075968315.db2.gz	YNLGOJCWCQNMAT-OBKDMQGPSA-N	1	1	401.507	1.990	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1=O	ZINC000733136280	1075973135	/nfs/dbraw/zinc/97/31/35/1075973135.db2.gz	WEKNVFYKHXJZFM-YJBOKZPZSA-N	1	1	400.479	1.915	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(OC)c(OC)cc2C(N)=O)CC1=O	ZINC000733141412	1075974143	/nfs/dbraw/zinc/97/41/43/1075974143.db2.gz	KCPWKFFQYAWVRU-UONOGXRCSA-N	1	1	418.494	1.074	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(CCO)CCN2CCOCC2)cc1	ZINC000491422821	1075975074	/nfs/dbraw/zinc/97/50/74/1075975074.db2.gz	JSRUGJSSMGFQGG-KRWDZBQOSA-N	1	1	401.511	1.578	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)/C(=C\c1cccnc1)NC(=O)c1ccccc1	ZINC000733143018	1075975313	/nfs/dbraw/zinc/97/53/13/1075975313.db2.gz	BXTAEJRDDBQQCH-JJOCEZFHSA-N	1	1	406.486	1.832	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1=O	ZINC000733145648	1075976057	/nfs/dbraw/zinc/97/60/57/1075976057.db2.gz	FHYJZCIMTNVCNI-FUHWJXTLSA-N	1	1	418.513	1.934	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)CC1=O	ZINC000733129606	1075979588	/nfs/dbraw/zinc/97/95/88/1075979588.db2.gz	GXJGBNHIYKENFO-UKRRQHHQSA-N	1	1	413.478	1.621	20	0		HDADMO
C[C@@H]1C[N@@H+](CCCc2nnnn2-c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163608	1075983904	/nfs/dbraw/zinc/98/39/04/1075983904.db2.gz	QVUAQBINZOGSJC-LFTGHYRXSA-N	1	1	422.533	1.455	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001080182204	1075985575	/nfs/dbraw/zinc/98/55/75/1075985575.db2.gz	ZFJIKFXSPMYMAA-VQWWJCQQSA-N	1	1	402.495	1.048	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001080182204	1075985576	/nfs/dbraw/zinc/98/55/76/1075985576.db2.gz	ZFJIKFXSPMYMAA-VQWWJCQQSA-N	1	1	402.495	1.048	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000733154322	1075988490	/nfs/dbraw/zinc/98/84/90/1075988490.db2.gz	BRVXPKQEJVPNEG-QGZVFWFLSA-N	1	1	415.538	1.524	20	0		HDADMO
CC(C)[C@@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)N1CC[NH+](C)CC1	ZINC000733155981	1075988837	/nfs/dbraw/zinc/98/88/37/1075988837.db2.gz	IJCBPSLZJWGLCN-HXUWFJFHSA-N	1	1	401.555	1.322	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000733156670	1075989506	/nfs/dbraw/zinc/98/95/06/1075989506.db2.gz	HXMRIWOAYDQRRB-QGZVFWFLSA-N	1	1	410.559	1.789	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000733156670	1075989509	/nfs/dbraw/zinc/98/95/09/1075989509.db2.gz	HXMRIWOAYDQRRB-QGZVFWFLSA-N	1	1	410.559	1.789	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)c2nnn(Cc3cc(C)on3)c2C)[C@H](C)C1	ZINC000512965644	1076003897	/nfs/dbraw/zinc/00/38/97/1076003897.db2.gz	CQKBYHWBVACYQD-KDOFPFPSSA-N	1	1	404.515	1.798	20	0		HDADMO
C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000513229476	1076004593	/nfs/dbraw/zinc/00/45/93/1076004593.db2.gz	ZFNABNPVLSVSAR-YZGWKJHDSA-N	1	1	405.564	1.401	20	0		HDADMO
C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000513229476	1076004594	/nfs/dbraw/zinc/00/45/94/1076004594.db2.gz	ZFNABNPVLSVSAR-YZGWKJHDSA-N	1	1	405.564	1.401	20	0		HDADMO
C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1	ZINC000513261360	1076004777	/nfs/dbraw/zinc/00/47/77/1076004777.db2.gz	MZDXGVQHDMUHMS-TZIWHRDSSA-N	1	1	414.550	1.073	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)no1	ZINC000513995727	1076014325	/nfs/dbraw/zinc/01/43/25/1076014325.db2.gz	ACUWALPLUFDZDB-BRWVUGGUSA-N	1	1	404.515	1.391	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)no1	ZINC000513995730	1076014518	/nfs/dbraw/zinc/01/45/18/1076014518.db2.gz	ACUWALPLUFDZDB-ZACQAIPSSA-N	1	1	404.515	1.391	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)no1	ZINC000513995729	1076014556	/nfs/dbraw/zinc/01/45/56/1076014556.db2.gz	ACUWALPLUFDZDB-IXDOHACOSA-N	1	1	404.515	1.391	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)C2)no1	ZINC000514015421	1076015182	/nfs/dbraw/zinc/01/51/82/1076015182.db2.gz	KJHBIAHWGPCUKX-XYPHTWIQSA-N	1	1	404.515	1.247	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)C2)no1	ZINC000514027055	1076016712	/nfs/dbraw/zinc/01/67/12/1076016712.db2.gz	NNWPUWBEZZUMPT-XYJFISCASA-N	1	1	420.558	1.885	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)C2)no1	ZINC000514027052	1076016724	/nfs/dbraw/zinc/01/67/24/1076016724.db2.gz	NNWPUWBEZZUMPT-JFIYKMOQSA-N	1	1	420.558	1.885	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000108514706	1076017283	/nfs/dbraw/zinc/01/72/83/1076017283.db2.gz	YFNBVNJEXIITQD-GOEBONIOSA-N	1	1	417.959	1.480	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC000733274327	1076027259	/nfs/dbraw/zinc/02/72/59/1076027259.db2.gz	XVUBOYHOEYZXKI-VGSWGCGISA-N	1	1	416.522	1.843	20	0		HDADMO
O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CC[NH+](C2CCC2)CC1	ZINC000733276802	1076028222	/nfs/dbraw/zinc/02/82/22/1076028222.db2.gz	XEMOUDJNHZCOJG-UHFFFAOYSA-N	1	1	411.499	1.157	20	0		HDADMO
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000727057256	1076035281	/nfs/dbraw/zinc/03/52/81/1076035281.db2.gz	HLXPUVPZKHSCST-QHCPKHFHSA-N	1	1	421.501	1.303	20	0		HDADMO
CCCN(C(=S)NCCNS(C)(=O)=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000727084321	1076040591	/nfs/dbraw/zinc/04/05/91/1076040591.db2.gz	DJHYBUOXGRBUPD-SFHVURJKSA-N	1	1	412.625	1.787	20	0		HDADMO
CC(C)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1	ZINC000733294777	1076041040	/nfs/dbraw/zinc/04/10/40/1076041040.db2.gz	CCTWPBLJUAEGLJ-IAGOWNOFSA-N	1	1	410.559	1.801	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000053526044	1076058536	/nfs/dbraw/zinc/05/85/36/1076058536.db2.gz	PQMZTIAWUPJXCX-UHFFFAOYSA-N	1	1	404.511	1.782	20	0		HDADMO
CNC(=O)C1CC[NH+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1	ZINC000053847122	1076059775	/nfs/dbraw/zinc/05/97/75/1076059775.db2.gz	FIXGWBWXWVYHPG-UHFFFAOYSA-N	1	1	401.507	1.801	20	0		HDADMO
CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000727322889	1076092957	/nfs/dbraw/zinc/09/29/57/1076092957.db2.gz	GWRVMTNTRUDFHO-UHFFFAOYSA-N	1	1	404.467	1.690	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)NC(=O)N[C@@H]1C	ZINC000727385087	1076102719	/nfs/dbraw/zinc/10/27/19/1076102719.db2.gz	XUDBZAOZCSIPMZ-CRAIPNDOSA-N	1	1	402.495	1.168	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)CC1	ZINC000727437427	1076121259	/nfs/dbraw/zinc/12/12/59/1076121259.db2.gz	RKBYLVFYQAPQLL-UHFFFAOYSA-N	1	1	420.510	1.391	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000733599255	1076123335	/nfs/dbraw/zinc/12/33/35/1076123335.db2.gz	ZTTHSSXHOAMJDM-FQEVSTJZSA-N	1	1	404.507	1.768	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000733671901	1076154182	/nfs/dbraw/zinc/15/41/82/1076154182.db2.gz	YZKIPIPALXUKKJ-KRWDZBQOSA-N	1	1	406.502	1.982	20	0		HDADMO
Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cn1	ZINC000525920380	1076167694	/nfs/dbraw/zinc/16/76/94/1076167694.db2.gz	TXOVIFHCWTYNTK-BJLQDIEVSA-N	1	1	400.502	1.818	20	0		HDADMO
Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cn1	ZINC000525920380	1076167698	/nfs/dbraw/zinc/16/76/98/1076167698.db2.gz	TXOVIFHCWTYNTK-BJLQDIEVSA-N	1	1	400.502	1.818	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CN(CC)c3ccccc3O2)CC1	ZINC000733793517	1076199861	/nfs/dbraw/zinc/19/98/61/1076199861.db2.gz	GLBAFWLYEINEAA-ZWKOTPCHSA-N	1	1	418.538	1.895	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CN(CC)c3ccccc3O2)CC1	ZINC000733793517	1076199863	/nfs/dbraw/zinc/19/98/63/1076199863.db2.gz	GLBAFWLYEINEAA-ZWKOTPCHSA-N	1	1	418.538	1.895	20	0		HDADMO
CCOC(=O)C1=C(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)NC(=O)N[C@@H]1c1ccco1	ZINC000733795134	1076215491	/nfs/dbraw/zinc/21/54/91/1076215491.db2.gz	APNDRPWGVBATEM-SUMWQHHRSA-N	1	1	417.462	1.726	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1	ZINC000727753661	1076227117	/nfs/dbraw/zinc/22/71/17/1076227117.db2.gz	NMWAMCDJANVUJR-PMACEKPBSA-N	1	1	416.522	1.657	20	0		HDADMO
O=C1CC2(CN1)CC[NH+]([C@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)CC2	ZINC000531443968	1076237284	/nfs/dbraw/zinc/23/72/84/1076237284.db2.gz	WJBRLPQDKISBLO-AWEZNQCLSA-N	1	1	406.280	1.683	20	0		HDADMO
C[NH+](C)CCN1CCC(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000733882387	1076237994	/nfs/dbraw/zinc/23/79/94/1076237994.db2.gz	JTGOFUZEQGKUGX-UHFFFAOYSA-N	1	1	403.495	1.686	20	0		HDADMO
C[NH+](C)CCN1CCC(CNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1	ZINC000733882427	1076238004	/nfs/dbraw/zinc/23/80/04/1076238004.db2.gz	LZZNIHWRJCXAID-UHFFFAOYSA-N	1	1	417.529	1.694	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1	ZINC000733882912	1076239232	/nfs/dbraw/zinc/23/92/32/1076239232.db2.gz	YEJHCMVEAHNXIQ-UHFFFAOYSA-N	1	1	401.960	1.891	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000533000500	1076240919	/nfs/dbraw/zinc/24/09/19/1076240919.db2.gz	CPWLTFHKJJJJID-QFBILLFUSA-N	1	1	413.522	1.982	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000533000500	1076240924	/nfs/dbraw/zinc/24/09/24/1076240924.db2.gz	CPWLTFHKJJJJID-QFBILLFUSA-N	1	1	413.522	1.982	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)no1	ZINC000533125914	1076241264	/nfs/dbraw/zinc/24/12/64/1076241264.db2.gz	FNXKDXYQXKKRDR-MRXNPFEDSA-N	1	1	402.499	1.992	20	0		HDADMO
O=C(CN1C(=O)CCC1=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC001299310331	1076243592	/nfs/dbraw/zinc/24/35/92/1076243592.db2.gz	BAFCFWBQZUMRKT-UHFFFAOYSA-N	1	1	408.296	1.679	20	0		HDADMO
Cc1cc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000533874386	1076246517	/nfs/dbraw/zinc/24/65/17/1076246517.db2.gz	CJCVVSIVQXPPRN-NVXWUHKLSA-N	1	1	403.508	1.859	20	0		HDADMO
Cc1cc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000533874386	1076246520	/nfs/dbraw/zinc/24/65/20/1076246520.db2.gz	CJCVVSIVQXPPRN-NVXWUHKLSA-N	1	1	403.508	1.859	20	0		HDADMO
COCCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1	ZINC000534537474	1076247928	/nfs/dbraw/zinc/24/79/28/1076247928.db2.gz	FHLFKGBELWPIIZ-IBGZPJMESA-N	1	1	403.504	1.528	20	0		HDADMO
COCCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1	ZINC000534537474	1076247933	/nfs/dbraw/zinc/24/79/33/1076247933.db2.gz	FHLFKGBELWPIIZ-IBGZPJMESA-N	1	1	403.504	1.528	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1	ZINC000534560097	1076248770	/nfs/dbraw/zinc/24/87/70/1076248770.db2.gz	TZFSFPWGZPITOW-UTKZUKDTSA-N	1	1	424.501	1.797	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1	ZINC000534560097	1076248775	/nfs/dbraw/zinc/24/87/75/1076248775.db2.gz	TZFSFPWGZPITOW-UTKZUKDTSA-N	1	1	424.501	1.797	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1	ZINC000534560098	1076248822	/nfs/dbraw/zinc/24/88/22/1076248822.db2.gz	TZFSFPWGZPITOW-UWJYYQICSA-N	1	1	424.501	1.797	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1	ZINC000534560098	1076248825	/nfs/dbraw/zinc/24/88/25/1076248825.db2.gz	TZFSFPWGZPITOW-UWJYYQICSA-N	1	1	424.501	1.797	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1	ZINC000534559350	1076248915	/nfs/dbraw/zinc/24/89/15/1076248915.db2.gz	HZJBLXVDSGDHDW-GOSISDBHSA-N	1	1	419.507	1.018	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1	ZINC000534559350	1076248922	/nfs/dbraw/zinc/24/89/22/1076248922.db2.gz	HZJBLXVDSGDHDW-GOSISDBHSA-N	1	1	419.507	1.018	20	0		HDADMO
CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000535265386	1076250548	/nfs/dbraw/zinc/25/05/48/1076250548.db2.gz	IEQYTYSYATUPJR-SFHVURJKSA-N	1	1	402.520	1.923	20	0		HDADMO
CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535265386	1076250550	/nfs/dbraw/zinc/25/05/50/1076250550.db2.gz	IEQYTYSYATUPJR-SFHVURJKSA-N	1	1	402.520	1.923	20	0		HDADMO
Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)cc(C3CC3)nc21	ZINC000535277982	1076251799	/nfs/dbraw/zinc/25/17/99/1076251799.db2.gz	UBTWSVYOHPNTET-QGZVFWFLSA-N	1	1	405.458	1.828	20	0		HDADMO
Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)cc(C3CC3)nc21	ZINC000535277982	1076251802	/nfs/dbraw/zinc/25/18/02/1076251802.db2.gz	UBTWSVYOHPNTET-QGZVFWFLSA-N	1	1	405.458	1.828	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)CC1	ZINC000535373255	1076252712	/nfs/dbraw/zinc/25/27/12/1076252712.db2.gz	PQNOGSSVISWAOO-UHFFFAOYSA-N	1	1	401.536	1.668	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1	ZINC000536028084	1076253846	/nfs/dbraw/zinc/25/38/46/1076253846.db2.gz	RIOCLZVJHNYFIR-GCJKJVERSA-N	1	1	407.474	1.727	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1	ZINC000536028084	1076253850	/nfs/dbraw/zinc/25/38/50/1076253850.db2.gz	RIOCLZVJHNYFIR-GCJKJVERSA-N	1	1	407.474	1.727	20	0		HDADMO
CN1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1	ZINC000536071318	1076255273	/nfs/dbraw/zinc/25/52/73/1076255273.db2.gz	RJVGYWZQSFLXHT-LJQANCHMSA-N	1	1	409.490	1.428	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+](C)CCC(=O)NC)NC(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000727832497	1076264125	/nfs/dbraw/zinc/26/41/25/1076264125.db2.gz	FJRGIYWJJCHJQH-QGZVFWFLSA-N	1	1	408.886	1.579	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](C)CCC(=O)NC)NC(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000727832497	1076264130	/nfs/dbraw/zinc/26/41/30/1076264130.db2.gz	FJRGIYWJJCHJQH-QGZVFWFLSA-N	1	1	408.886	1.579	20	0		HDADMO
CCOC(=O)C1C(C[N@H+](C)CCC(=O)NC)=NC(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000727832497	1076264141	/nfs/dbraw/zinc/26/41/41/1076264141.db2.gz	FJRGIYWJJCHJQH-QGZVFWFLSA-N	1	1	408.886	1.579	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+](C)CCC(=O)NC)=NC(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000727832497	1076264146	/nfs/dbraw/zinc/26/41/46/1076264146.db2.gz	FJRGIYWJJCHJQH-QGZVFWFLSA-N	1	1	408.886	1.579	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1	ZINC000727860152	1076274770	/nfs/dbraw/zinc/27/47/70/1076274770.db2.gz	TYWJUIHANNBCEK-ZDUSSCGKSA-N	1	1	408.300	1.870	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000727860283	1076275106	/nfs/dbraw/zinc/27/51/06/1076275106.db2.gz	AXXVJXWFSKXIAU-CYBMUJFWSA-N	1	1	403.932	1.431	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000733975706	1076280129	/nfs/dbraw/zinc/28/01/29/1076280129.db2.gz	JZAPEDWLEHFIPQ-DHZHZOJOSA-N	1	1	408.568	1.605	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000733975711	1076280403	/nfs/dbraw/zinc/28/04/03/1076280403.db2.gz	KIBJVSNALDKGEY-SILNSSARSA-N	1	1	415.517	1.653	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1	ZINC000733978471	1076281190	/nfs/dbraw/zinc/28/11/90/1076281190.db2.gz	DDVAFIULNPKPHL-UHFFFAOYSA-N	1	1	414.547	1.270	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)c1	ZINC000733978471	1076281193	/nfs/dbraw/zinc/28/11/93/1076281193.db2.gz	DDVAFIULNPKPHL-UHFFFAOYSA-N	1	1	414.547	1.270	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCC[N@H+]2CCCN(C)CC2)c1	ZINC000733978471	1076281197	/nfs/dbraw/zinc/28/11/97/1076281197.db2.gz	DDVAFIULNPKPHL-UHFFFAOYSA-N	1	1	414.547	1.270	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cnn4ccc(C)nc34)CC2)c1	ZINC000727929797	1076285484	/nfs/dbraw/zinc/28/54/84/1076285484.db2.gz	RARIHJCKOFLLEY-UHFFFAOYSA-N	1	1	407.474	1.847	20	0		HDADMO
Cc1ccn2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2n1	ZINC000734030807	1076293655	/nfs/dbraw/zinc/29/36/55/1076293655.db2.gz	HAYYXJOOCDMDOA-SJLPKXTDSA-N	1	1	407.474	1.974	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000728031620	1076312248	/nfs/dbraw/zinc/31/22/48/1076312248.db2.gz	PXDZWQIWEHJFTN-HXUWFJFHSA-N	1	1	421.563	1.714	20	0		HDADMO
Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)n(-c2nc(C)cc(C)n2)n1	ZINC000728053462	1076320636	/nfs/dbraw/zinc/32/06/36/1076320636.db2.gz	LFLIMRHXONRPRQ-INIZCTEOSA-N	1	1	400.483	1.611	20	0		HDADMO
Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C3OCCO3)C2)n(-c2nc(C)cc(C)n2)n1	ZINC000728053462	1076320644	/nfs/dbraw/zinc/32/06/44/1076320644.db2.gz	LFLIMRHXONRPRQ-INIZCTEOSA-N	1	1	400.483	1.611	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000728053421	1076320783	/nfs/dbraw/zinc/32/07/83/1076320783.db2.gz	JWMFOTYEOZUVMX-SFHVURJKSA-N	1	1	401.507	1.492	20	0		HDADMO
Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C3OCCO3)C2)n(-c2nc(C)cc(C)n2)n1	ZINC000728053463	1076320840	/nfs/dbraw/zinc/32/08/40/1076320840.db2.gz	LFLIMRHXONRPRQ-MRXNPFEDSA-N	1	1	400.483	1.611	20	0		HDADMO
Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C3OCCO3)C2)n(-c2nc(C)cc(C)n2)n1	ZINC000728053463	1076320850	/nfs/dbraw/zinc/32/08/50/1076320850.db2.gz	LFLIMRHXONRPRQ-MRXNPFEDSA-N	1	1	400.483	1.611	20	0		HDADMO
C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000728053052	1076321152	/nfs/dbraw/zinc/32/11/52/1076321152.db2.gz	GKRIDEQAWHWFSK-GHTZIAJQSA-N	1	1	417.550	1.608	20	0		HDADMO
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000728054599	1076321951	/nfs/dbraw/zinc/32/19/51/1076321951.db2.gz	XSKRYDJJTVDLEA-BEFAXECRSA-N	1	1	415.490	1.453	20	0		HDADMO
C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000728054198	1076322220	/nfs/dbraw/zinc/32/22/20/1076322220.db2.gz	WSZZXMCZQUMIOU-ZIAGYGMSSA-N	1	1	405.451	1.579	20	0		HDADMO
CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3OC)CC2)NC(=O)N[C@@H]1C	ZINC000728055900	1076322650	/nfs/dbraw/zinc/32/26/50/1076322650.db2.gz	PYOUNFHBXVYNLD-OAHLLOKOSA-N	1	1	402.495	1.331	20	0		HDADMO
Cc1cc(C)c(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)c(C)c1	ZINC000728078470	1076334368	/nfs/dbraw/zinc/33/43/68/1076334368.db2.gz	ZZGWBSULEDQKNJ-MOPGFXCFSA-N	1	1	414.550	1.668	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C1	ZINC000728077823	1076334420	/nfs/dbraw/zinc/33/44/20/1076334420.db2.gz	ONWVANCTKQFWDK-AWEZNQCLSA-N	1	1	416.453	1.988	20	0		HDADMO
Cc1ccc(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1F	ZINC000728077469	1076334478	/nfs/dbraw/zinc/33/44/78/1076334478.db2.gz	JLEMOBAKKOVYKF-JKSUJKDBSA-N	1	1	404.486	1.191	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(F)(F)F)n1	ZINC000728078136	1076334724	/nfs/dbraw/zinc/33/47/24/1076334724.db2.gz	ULCRRXQGTPYIJH-MLGOLLRUSA-N	1	1	422.473	1.295	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1	ZINC000728151989	1076348053	/nfs/dbraw/zinc/34/80/53/1076348053.db2.gz	KYGHWSOOBSPDST-OGWOLHLISA-N	1	1	400.504	1.668	20	0		HDADMO
O=C(CN1CC[NH+](CCOc2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1	ZINC000025448287	1076352090	/nfs/dbraw/zinc/35/20/90/1076352090.db2.gz	MCAGQISWPUPJQO-HXUWFJFHSA-N	1	1	411.502	1.639	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1C1OCCO1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000728172849	1076363990	/nfs/dbraw/zinc/36/39/90/1076363990.db2.gz	NLNKCPALECHFGT-IBGZPJMESA-N	1	1	401.507	1.635	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1C1OCCO1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000728172849	1076363996	/nfs/dbraw/zinc/36/39/96/1076363996.db2.gz	NLNKCPALECHFGT-IBGZPJMESA-N	1	1	401.507	1.635	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)OCC(C)C)CC2)CC1=O	ZINC000729920416	1076395962	/nfs/dbraw/zinc/39/59/62/1076395962.db2.gz	LKOMRUJUEHIDEA-ROUUACIJSA-N	1	1	408.543	1.256	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)CSc1nnnn1CC(F)(F)F	ZINC000729968234	1076399625	/nfs/dbraw/zinc/39/96/25/1076399625.db2.gz	DKDTYADIKPJWQR-UHFFFAOYSA-N	1	1	412.401	1.533	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)C1	ZINC000730036032	1076414105	/nfs/dbraw/zinc/41/41/05/1076414105.db2.gz	HLAFTHIFBWZXEL-OAHLLOKOSA-N	1	1	405.524	1.469	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1	ZINC000730082918	1076430733	/nfs/dbraw/zinc/43/07/33/1076430733.db2.gz	XXAZSMNRLBTLGX-XDJHFCHBSA-N	1	1	422.489	1.846	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1	ZINC000730082890	1076430818	/nfs/dbraw/zinc/43/08/18/1076430818.db2.gz	TXKSRMCCOGYDKU-UHFFFAOYSA-N	1	1	413.515	1.139	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000730099665	1076452100	/nfs/dbraw/zinc/45/21/00/1076452100.db2.gz	MJXHVPZPQNNJRP-NVXWUHKLSA-N	1	1	414.572	1.318	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000730134219	1076460442	/nfs/dbraw/zinc/46/04/42/1076460442.db2.gz	SPVRFESUYLMKHY-CQSZACIVSA-N	1	1	408.934	1.034	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC000730217908	1076479628	/nfs/dbraw/zinc/47/96/28/1076479628.db2.gz	ZMCQMOVVTQORDW-CRAIPNDOSA-N	1	1	404.486	1.238	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000730231350	1076488103	/nfs/dbraw/zinc/48/81/03/1076488103.db2.gz	MPFIUAISYZPZIE-LJQANCHMSA-N	1	1	402.539	1.930	20	0		HDADMO
COC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O	ZINC000730251472	1076498043	/nfs/dbraw/zinc/49/80/43/1076498043.db2.gz	HVCUSJXXULOIHJ-IERDGZPVSA-N	1	1	403.479	1.923	20	0		HDADMO
COC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O	ZINC000730251472	1076498050	/nfs/dbraw/zinc/49/80/50/1076498050.db2.gz	HVCUSJXXULOIHJ-IERDGZPVSA-N	1	1	403.479	1.923	20	0		HDADMO
COC(=O)[C@@H](C)C[N@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1	ZINC000730254043	1076499572	/nfs/dbraw/zinc/49/95/72/1076499572.db2.gz	KLRWGOSWXYMIGP-QKKBWIMNSA-N	1	1	403.479	1.779	20	0		HDADMO
COC(=O)[C@@H](C)C[N@@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1	ZINC000730254043	1076499577	/nfs/dbraw/zinc/49/95/77/1076499577.db2.gz	KLRWGOSWXYMIGP-QKKBWIMNSA-N	1	1	403.479	1.779	20	0		HDADMO
C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC(CCO)CC3)cc2Cl)CC1	ZINC000730387406	1076567875	/nfs/dbraw/zinc/56/78/75/1076567875.db2.gz	FXFXVMDIKHWDOC-UHFFFAOYSA-N	1	1	408.930	1.651	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCN3CCCCC3=O)cc2)CC1	ZINC000730387521	1076568019	/nfs/dbraw/zinc/56/80/19/1076568019.db2.gz	IUHVZEZISDDUPD-UHFFFAOYSA-N	1	1	415.538	1.286	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000730561507	1076602927	/nfs/dbraw/zinc/60/29/27/1076602927.db2.gz	GWTSWJBSNANILY-CVVHJZTLSA-N	1	1	409.538	1.608	20	0		HDADMO
COC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000730683783	1076639998	/nfs/dbraw/zinc/63/99/98/1076639998.db2.gz	MCSNHVJBHPNBJN-SFHVURJKSA-N	1	1	417.510	1.432	20	0		HDADMO
C[N@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O	ZINC000730804615	1076655725	/nfs/dbraw/zinc/65/57/25/1076655725.db2.gz	WIBXUUSYFWTXOE-HRAATJIYSA-N	1	1	403.479	1.974	20	0		HDADMO
C[N@@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O	ZINC000730804615	1076655728	/nfs/dbraw/zinc/65/57/28/1076655728.db2.gz	WIBXUUSYFWTXOE-HRAATJIYSA-N	1	1	403.479	1.974	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1	ZINC000730787524	1076657884	/nfs/dbraw/zinc/65/78/84/1076657884.db2.gz	LTXBQLNIRHAMTA-LPHOPBHVSA-N	1	1	416.522	1.800	20	0		HDADMO
Cc1ccc(CC(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000730939462	1076698427	/nfs/dbraw/zinc/69/84/27/1076698427.db2.gz	IROHOXYVZUXYKN-UHFFFAOYSA-N	1	1	401.532	1.572	20	0		HDADMO
Cc1ccccc1CC(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000730939447	1076698484	/nfs/dbraw/zinc/69/84/84/1076698484.db2.gz	IFVIMKBUENRVCM-UHFFFAOYSA-N	1	1	401.532	1.572	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cc4c([nH]c3=O)CCC4)c2)C1	ZINC000730970597	1076701670	/nfs/dbraw/zinc/70/16/70/1076701670.db2.gz	JHJGGWLQCLDTJF-GOSISDBHSA-N	1	1	408.502	1.903	20	0		HDADMO
C[NH+]1CCN(CCCN/C=C2/c3ccccc3C(=O)N(c3ccccn3)C2=O)CC1	ZINC000730970971	1076702118	/nfs/dbraw/zinc/70/21/18/1076702118.db2.gz	PHJCKWIGXBXEJG-JZJYNLBNSA-N	1	1	405.502	1.837	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(-n4cccn4)nc3)c2)C1	ZINC000730973458	1076702464	/nfs/dbraw/zinc/70/24/64/1076702464.db2.gz	JPHLZTNNQRLXQZ-FQEVSTJZSA-N	1	1	418.501	1.895	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1	ZINC000731159059	1076739211	/nfs/dbraw/zinc/73/92/11/1076739211.db2.gz	CKHLZCVNODDKRX-CEXWTWQISA-N	1	1	409.644	1.658	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)CC1	ZINC000731180975	1076745191	/nfs/dbraw/zinc/74/51/91/1076745191.db2.gz	JKSVJHQWNBCWHH-UHFFFAOYSA-N	1	1	410.522	1.674	20	0		HDADMO
CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1	ZINC000731180984	1076745553	/nfs/dbraw/zinc/74/55/53/1076745553.db2.gz	JLKTUFCHUDHQIK-LJQANCHMSA-N	1	1	422.570	1.648	20	0		HDADMO
CCc1noc(CCCC(=O)N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1	ZINC000731201011	1076752262	/nfs/dbraw/zinc/75/22/62/1076752262.db2.gz	MKSPYVNPLRBDDV-UHFFFAOYSA-N	1	1	405.543	1.748	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccnc(-n4ccnc4)c3)CC2)CC1	ZINC000731200426	1076752490	/nfs/dbraw/zinc/75/24/90/1076752490.db2.gz	CEFWLKGKFGTOFR-UHFFFAOYSA-N	1	1	410.522	1.674	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(Cn3nc(-c4ccccc4)oc3=O)CC2)CC1	ZINC000731209786	1076755781	/nfs/dbraw/zinc/75/57/81/1076755781.db2.gz	WFXMUTGRSOFFTN-UHFFFAOYSA-N	1	1	413.522	1.727	20	0		HDADMO
Cc1cc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)no1	ZINC000328606669	571306814	/nfs/dbraw/zinc/30/68/14/571306814.db2.gz	SJJCNOHJCJALCC-JLTOFOAXSA-N	1	1	409.450	2.205	20	0		HDADMO
CN1CCN(c2ccc(N(c3ncccc3F)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)nn2)CC1	ZINC001164690365	719759208	/nfs/dbraw/zinc/75/92/08/719759208.db2.gz	AZZITTFOBFINNK-IERDGZPVSA-N	1	1	413.501	1.422	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ncccc21	ZINC001164697963	719844200	/nfs/dbraw/zinc/84/42/00/719844200.db2.gz	CUZRFGIUAULVDZ-ORAYPTAESA-N	1	1	405.886	1.911	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC	ZINC001164701873	719857492	/nfs/dbraw/zinc/85/74/92/719857492.db2.gz	LIASVHKQACVAIY-IIBYNOLFSA-N	1	1	417.510	1.310	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cccc(OC)c21	ZINC001164707161	719870014	/nfs/dbraw/zinc/87/00/14/719870014.db2.gz	QVZAQTHJJFAYIL-QVKFZJNVSA-N	1	1	400.479	1.871	20	0		HDADMO
NS(=O)(=O)c1cccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1	ZINC001164705422	719909385	/nfs/dbraw/zinc/90/93/85/719909385.db2.gz	BQUWBQRUYIOOMH-UHFFFAOYSA-N	1	1	408.549	1.662	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)C2	ZINC001164811309	720081423	/nfs/dbraw/zinc/08/14/23/720081423.db2.gz	NVMHJYWOMAJOGU-OPAMFIHVSA-N	1	1	417.506	1.840	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(N3CCOCC3)n1)C2	ZINC001164812281	720088081	/nfs/dbraw/zinc/08/80/81/720088081.db2.gz	QFDCFWNCFLAMEM-OXQOHEQNSA-N	1	1	422.961	1.546	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC	ZINC001164809714	720107082	/nfs/dbraw/zinc/10/70/82/720107082.db2.gz	IKKJTAKXLLISQF-IERDGZPVSA-N	1	1	404.511	1.847	20	0		HDADMO
COc1cnc2c(c1)ncnc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164814534	720232294	/nfs/dbraw/zinc/23/22/94/720232294.db2.gz	XGZLRULRNNVTLS-UHFFFAOYSA-N	1	1	409.494	1.841	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(S(C)(=O)=O)cn1)CCC2	ZINC001164812192	720233357	/nfs/dbraw/zinc/23/33/57/720233357.db2.gz	CTUITTMURXAMAX-UHFFFAOYSA-N	1	1	405.524	1.292	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1	ZINC001164720013	720242385	/nfs/dbraw/zinc/24/23/85/720242385.db2.gz	QKNNYAZRSPPZPO-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1	ZINC001164720013	720242396	/nfs/dbraw/zinc/24/23/96/720242396.db2.gz	QKNNYAZRSPPZPO-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1	ZINC001164720114	720243621	/nfs/dbraw/zinc/24/36/21/720243621.db2.gz	RMRKHNVVYBYRCD-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1	ZINC001164720114	720243630	/nfs/dbraw/zinc/24/36/30/720243630.db2.gz	RMRKHNVVYBYRCD-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1	ZINC001164815097	720248037	/nfs/dbraw/zinc/24/80/37/720248037.db2.gz	AAJYAYZBSAARNC-UHFFFAOYSA-N	1	1	419.551	1.682	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4cccnc43)C2)C1	ZINC001164719932	720251806	/nfs/dbraw/zinc/25/18/06/720251806.db2.gz	PXQLVZBTKUPCNQ-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4cccnc43)C2)C1	ZINC001164719932	720251811	/nfs/dbraw/zinc/25/18/11/720251811.db2.gz	PXQLVZBTKUPCNQ-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1	ZINC001164718195	720255818	/nfs/dbraw/zinc/25/58/18/720255818.db2.gz	CVDYJHBSZOQJLR-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1	ZINC001164718195	720255825	/nfs/dbraw/zinc/25/58/25/720255825.db2.gz	CVDYJHBSZOQJLR-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1	ZINC001164719721	720262295	/nfs/dbraw/zinc/26/22/95/720262295.db2.gz	OEWLPKUVKGAUQP-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1	ZINC001164719721	720262301	/nfs/dbraw/zinc/26/23/01/720262301.db2.gz	OEWLPKUVKGAUQP-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3[nH]cnc32)CC1	ZINC001164818881	720290385	/nfs/dbraw/zinc/29/03/85/720290385.db2.gz	BHGYNFFUZYBPHW-KGLIPLIRSA-N	1	1	403.918	1.918	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CCNC3)CC1	ZINC001164821096	720301089	/nfs/dbraw/zinc/30/10/89/720301089.db2.gz	JKMLNKDYWVSKBK-ZWKOTPCHSA-N	1	1	418.973	1.687	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c(C)cc(OC)cc43)C2)C1	ZINC001164722787	720311170	/nfs/dbraw/zinc/31/11/70/720311170.db2.gz	LLPFVIHNVHLSRG-JOCHJYFZSA-N	1	1	413.522	1.612	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c(C)cc(OC)cc43)C2)C1	ZINC001164722787	720311178	/nfs/dbraw/zinc/31/11/78/720311178.db2.gz	LLPFVIHNVHLSRG-JOCHJYFZSA-N	1	1	413.522	1.612	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)n2)CC1	ZINC001164732772	720503009	/nfs/dbraw/zinc/50/30/09/720503009.db2.gz	XCJOZTXTZAHAFU-GCJKJVERSA-N	1	1	423.521	1.248	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3S(N)(=O)=O)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164834936	720515328	/nfs/dbraw/zinc/51/53/28/720515328.db2.gz	INLFEXSBGPMMPB-IXDOHACOSA-N	1	1	404.540	1.303	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164742968	720626732	/nfs/dbraw/zinc/62/67/32/720626732.db2.gz	NTKUUUSDGQHTDH-HOTGVXAUSA-N	1	1	420.473	1.938	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(S(N)(=O)=O)cc3F)CC[C@@H]21	ZINC001164844245	720646656	/nfs/dbraw/zinc/64/66/56/720646656.db2.gz	ZIDMCKATTCVDLR-VKJFTORMSA-N	1	1	422.530	1.442	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164740134	720683002	/nfs/dbraw/zinc/68/30/02/720683002.db2.gz	QGZRKTGQSDYARI-UONOGXRCSA-N	1	1	418.885	1.368	20	0		HDADMO
COc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c(OC)c1	ZINC001164738479	720709966	/nfs/dbraw/zinc/70/99/66/720709966.db2.gz	JYQPUCBVBUNJOK-HOCLYGCPSA-N	1	1	408.462	1.779	20	0		HDADMO
COC(=O)CSc1cccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164742810	720743876	/nfs/dbraw/zinc/74/38/76/720743876.db2.gz	OMILWAMESSATTC-CABCVRRESA-N	1	1	401.492	1.479	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)n2)CC1	ZINC001164846120	720778950	/nfs/dbraw/zinc/77/89/50/720778950.db2.gz	HNHCVQLQIUHKGA-NJYVYQBISA-N	1	1	424.549	1.967	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164747916	720806521	/nfs/dbraw/zinc/80/65/21/720806521.db2.gz	PSBFIWPVAXLQBE-STQMWFEESA-N	1	1	403.874	1.012	20	0		HDADMO
NC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl	ZINC001164749242	720814639	/nfs/dbraw/zinc/81/46/39/720814639.db2.gz	SNFLGWKUFDNUFH-ZMSDIMECSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164744154	720814672	/nfs/dbraw/zinc/81/46/72/720814672.db2.gz	HLUZGXPSOPLWJE-QILLFSRXSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740188	720822616	/nfs/dbraw/zinc/82/26/16/720822616.db2.gz	JKVUFNWQOHUAMM-OFQRWUPVSA-N	1	1	416.917	1.200	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21	ZINC001164743815	720830054	/nfs/dbraw/zinc/83/00/54/720830054.db2.gz	SNAFRPGUSLSLCT-VAMGGRTRSA-N	1	1	419.533	1.904	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CCCCC3)CC[C@H]2C1	ZINC001164856544	720836126	/nfs/dbraw/zinc/83/61/26/720836126.db2.gz	WTWYCQUFFYPKGT-AZUAARDMSA-N	1	1	402.539	1.881	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164851465	720836791	/nfs/dbraw/zinc/83/67/91/720836791.db2.gz	HNFOVAVMKKVVJE-LPHOPBHVSA-N	1	1	414.506	1.980	20	0		HDADMO
Cc1cn(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cn1	ZINC001164743602	720838861	/nfs/dbraw/zinc/83/88/61/720838861.db2.gz	JOEVIAGTLQGBJZ-VAMGGRTRSA-N	1	1	419.537	1.942	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cnc4cc(OC)c(OC)cc4n3)CC[C@@H]2C1	ZINC001164849247	720852166	/nfs/dbraw/zinc/85/21/66/720852166.db2.gz	BOSXKNJJRHADMB-QRWLVFNGSA-N	1	1	402.495	1.821	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164743839	720854827	/nfs/dbraw/zinc/85/48/27/720854827.db2.gz	AALQGBODSAVECD-GUDVDZBRSA-N	1	1	420.525	1.337	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)CC[C@H]2C1	ZINC001164864496	720878402	/nfs/dbraw/zinc/87/84/02/720878402.db2.gz	VYLMFTUGRCOYEG-UONOGXRCSA-N	1	1	406.861	1.771	20	0		HDADMO
CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)cc2C1	ZINC001164858566	720891785	/nfs/dbraw/zinc/89/17/85/720891785.db2.gz	LDQCIKSNLKMZJE-HLIPFELVSA-N	1	1	418.538	1.318	20	0		HDADMO
c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)CC[N@H+]3C2)c1	ZINC001164867978	721051541	/nfs/dbraw/zinc/05/15/41/721051541.db2.gz	LPJWOBLYAXYPKB-FCHUYYIVSA-N	1	1	409.534	1.789	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164771048	721075811	/nfs/dbraw/zinc/07/58/11/721075811.db2.gz	RDDMSPXVLRWRDK-LSDHHAIUSA-N	1	1	404.902	1.999	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164771045	721075937	/nfs/dbraw/zinc/07/59/37/721075937.db2.gz	RDDMSPXVLRWRDK-HUUCEWRRSA-N	1	1	404.902	1.999	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1	ZINC001164866125	721077457	/nfs/dbraw/zinc/07/74/57/721077457.db2.gz	RGOKDCQYDQYYRS-LSDHHAIUSA-N	1	1	423.926	1.257	20	0		HDADMO
COC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164774155	721108281	/nfs/dbraw/zinc/10/82/81/721108281.db2.gz	ZWGUDFSONIBJQK-GJZGRUSLSA-N	1	1	404.902	1.537	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(S(N)(=O)=O)cc4Cl)C[C@H]3C2)cn1	ZINC001164764110	721114595	/nfs/dbraw/zinc/11/45/95/721114595.db2.gz	GZJBEOCMLAEWTQ-UONOGXRCSA-N	1	1	410.931	1.074	20	0		HDADMO
CCOC(=O)c1nnc(Cl)cc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164772749	721118975	/nfs/dbraw/zinc/11/89/75/721118975.db2.gz	WEYJKBBIMXHVKZ-LSDHHAIUSA-N	1	1	404.902	1.999	20	0		HDADMO
CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164872758	721124259	/nfs/dbraw/zinc/12/42/59/721124259.db2.gz	IHCONHBMTZAPIA-MOPGFXCFSA-N	1	1	411.506	1.898	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5c(n4)N4CCC[C@H]4C(=O)N5C)C[C@@H]3C2)cn1	ZINC001164774180	721140045	/nfs/dbraw/zinc/14/00/45/721140045.db2.gz	ZYOOSAJQJIHEDM-BZSNNMDCSA-N	1	1	422.537	1.114	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001164879423	721142988	/nfs/dbraw/zinc/14/29/88/721142988.db2.gz	RZWUXPYBYHWKDP-ZWKOTPCHSA-N	1	1	417.535	1.255	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nc(Cl)nc4C(N)=O)C[C@@H]3C2)cn1	ZINC001164763436	721149082	/nfs/dbraw/zinc/14/90/82/721149082.db2.gz	FVUWBZUREWMBGG-RYUDHWBXSA-N	1	1	410.309	1.574	20	0		HDADMO
NS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879925	721169223	/nfs/dbraw/zinc/16/92/23/721169223.db2.gz	VJYFTHPPKRXEKH-GJZGRUSLSA-N	1	1	423.926	1.257	20	0		HDADMO
COCCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164869774	721180230	/nfs/dbraw/zinc/18/02/30/721180230.db2.gz	BINPRFFOTGMMLS-PMACEKPBSA-N	1	1	412.490	1.760	20	0		HDADMO
COCCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164869776	721180364	/nfs/dbraw/zinc/18/03/64/721180364.db2.gz	BINPRFFOTGMMLS-VQTJNVASSA-N	1	1	412.490	1.760	20	0		HDADMO
CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2C1	ZINC001164872194	721182613	/nfs/dbraw/zinc/18/26/13/721182613.db2.gz	GUPZWRIGDJMWFV-IAGOWNOFSA-N	1	1	414.941	1.993	20	0		HDADMO
COC(=O)c1cc2cnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C	ZINC001164764316	721186640	/nfs/dbraw/zinc/18/66/40/721186640.db2.gz	HALPKYGAFXQTBN-NVXWUHKLSA-N	1	1	409.494	1.447	20	0		HDADMO
COC(=O)c1cc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2n1C	ZINC001164764317	721188220	/nfs/dbraw/zinc/18/82/20/721188220.db2.gz	HALPKYGAFXQTBN-RDJZCZTQSA-N	1	1	409.494	1.447	20	0		HDADMO
CNC(=O)[C@@]12CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]1N(c1ncccn1)CCC2	ZINC001164871361	721207521	/nfs/dbraw/zinc/20/75/21/721207521.db2.gz	YRGFRVJSWRKVNN-CVDCTZTESA-N	1	1	421.549	1.687	20	0		HDADMO
CSc1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164876796	721262541	/nfs/dbraw/zinc/26/25/41/721262541.db2.gz	PPIBWIGWRBNZLK-UHFFFAOYSA-N	1	1	413.975	1.859	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)nc3)CC2)C1	ZINC001164870422	721265896	/nfs/dbraw/zinc/26/58/96/721265896.db2.gz	YIQCTRYTZGFOBG-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
CCOC(=O)c1cccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164869400	721269568	/nfs/dbraw/zinc/26/95/68/721269568.db2.gz	NMUNXRWVTMCBLV-UHFFFAOYSA-N	1	1	404.511	1.265	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c(F)cccc43)CC2)C1	ZINC001164868551	721270415	/nfs/dbraw/zinc/27/04/15/721270415.db2.gz	BQPPHFJDAGPCQK-UHFFFAOYSA-N	1	1	401.486	1.776	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnnc(Cl)c3)CC2)C1	ZINC001164868539	721273815	/nfs/dbraw/zinc/27/38/15/721273815.db2.gz	BBCLSKFMCSRKCY-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
Cc1[nH]c2ncnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2c1C	ZINC001164872388	721274156	/nfs/dbraw/zinc/27/41/56/721274156.db2.gz	CGKCQOLHEABHSA-UHFFFAOYSA-N	1	1	400.527	1.582	20	0		HDADMO
CC(C)COc1cncc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164875730	721287492	/nfs/dbraw/zinc/28/74/92/721287492.db2.gz	GGMSINHZVAZPMP-UHFFFAOYSA-N	1	1	405.543	1.518	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(-c4ccncc4)nn3)CC2)C1	ZINC001164878681	721287937	/nfs/dbraw/zinc/28/79/37/721287937.db2.gz	SRQPQEYTKLDTFQ-UHFFFAOYSA-N	1	1	410.522	1.546	20	0		HDADMO
COC(=O)c1nccnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164775900	721337624	/nfs/dbraw/zinc/33/76/24/721337624.db2.gz	AMIPRIAUDDPCCB-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1nccnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164775900	721337629	/nfs/dbraw/zinc/33/76/29/721337629.db2.gz	AMIPRIAUDDPCCB-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
CNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1	ZINC001164782271	721369568	/nfs/dbraw/zinc/36/95/68/721369568.db2.gz	MAXVYPYCZCDJDZ-NRFANRHFSA-N	1	1	414.510	1.560	20	0		HDADMO
CNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1	ZINC001164782271	721369572	/nfs/dbraw/zinc/36/95/72/721369572.db2.gz	MAXVYPYCZCDJDZ-NRFANRHFSA-N	1	1	414.510	1.560	20	0		HDADMO
CCOC(=O)c1cncnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164886346	721379122	/nfs/dbraw/zinc/37/91/22/721379122.db2.gz	FIGQDLMBHVMXLC-UTKZUKDTSA-N	1	1	403.527	1.419	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164892277	721383573	/nfs/dbraw/zinc/38/35/73/721383573.db2.gz	SRGQUSBVNVDCKC-FOIQADDNSA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(Cl)c(C(N)=O)n4)C3)O2)CC1	ZINC001164885578	721387920	/nfs/dbraw/zinc/38/79/20/721387920.db2.gz	COIDGRCHOPGLRO-YWZLYKJASA-N	1	1	407.946	1.599	20	0		HDADMO
CCOC(=O)Cc1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164884968	721390835	/nfs/dbraw/zinc/39/08/35/721390835.db2.gz	BEYSDCUSHDAFPR-REWPJTCUSA-N	1	1	416.566	1.953	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cnc(F)cc54)C3)O2)CC1	ZINC001164890551	721397739	/nfs/dbraw/zinc/39/77/39/721397739.db2.gz	OEYXLGGLJZIBEA-IERDGZPVSA-N	1	1	400.502	1.929	20	0		HDADMO
Cn1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164892004	721402358	/nfs/dbraw/zinc/40/23/58/721402358.db2.gz	XWQMVMXIRSMKTP-FOIQADDNSA-N	1	1	419.961	1.782	20	0		HDADMO
CNC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1Cl	ZINC001164889796	721420657	/nfs/dbraw/zinc/42/06/57/721420657.db2.gz	RMFKXUGQVLOENN-HRAATJIYSA-N	1	1	421.973	1.860	20	0		HDADMO
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1	ZINC001164895418	721425596	/nfs/dbraw/zinc/42/55/96/721425596.db2.gz	OUTJPEAWYMMTPY-OFNKIYASSA-N	1	1	414.598	1.709	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164789018	721425712	/nfs/dbraw/zinc/42/57/12/721425712.db2.gz	VLBCXQQXRFYSSX-HUUCEWRRSA-N	1	1	407.565	1.793	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5C4CC4)C3)O2)CC1	ZINC001164888667	721437388	/nfs/dbraw/zinc/43/73/88/721437388.db2.gz	ABCKCQOUCGIYBH-GCJKJVERSA-N	1	1	411.554	1.927	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1	ZINC001164893102	721446271	/nfs/dbraw/zinc/44/62/71/721446271.db2.gz	JAAIWBOVADSTHN-YWZLYKJASA-N	1	1	407.946	1.599	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)C3)O2)CC1	ZINC001164892757	721453625	/nfs/dbraw/zinc/45/36/25/721453625.db2.gz	XVZUARKFIRYCCL-VGOFRKELSA-N	1	1	414.554	1.218	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(N)=O)nn1)CC2	ZINC001164784475	721454115	/nfs/dbraw/zinc/45/41/15/721454115.db2.gz	FSAASRBYXQHFPL-KRWDZBQOSA-N	1	1	403.527	1.309	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@@H]2CCCO[C@@H]21	ZINC001164803092	721561640	/nfs/dbraw/zinc/56/16/40/721561640.db2.gz	JJARZOOMNSBKHQ-CPUCHLNUSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@@H]2CCCO[C@@H]21	ZINC001164803092	721561643	/nfs/dbraw/zinc/56/16/43/721561643.db2.gz	JJARZOOMNSBKHQ-CPUCHLNUSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@@H]2CCCO[C@@H]12	ZINC001164801209	721573597	/nfs/dbraw/zinc/57/35/97/721573597.db2.gz	GLKIAVYSKDCRDE-JFIYKMOQSA-N	1	1	408.506	1.970	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@@H]2CCCO[C@@H]12	ZINC001164801209	721573604	/nfs/dbraw/zinc/57/36/04/721573604.db2.gz	GLKIAVYSKDCRDE-JFIYKMOQSA-N	1	1	408.506	1.970	20	0		HDADMO
Cc1cc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n1)C(=O)NC2=O	ZINC001164806737	721575063	/nfs/dbraw/zinc/57/50/63/721575063.db2.gz	RJYMQQPKTOHFTO-ZIFCJYIRSA-N	1	1	407.474	1.537	20	0		HDADMO
Cc1cc2c(c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n1)C(=O)NC2=O	ZINC001164806737	721575065	/nfs/dbraw/zinc/57/50/65/721575065.db2.gz	RJYMQQPKTOHFTO-ZIFCJYIRSA-N	1	1	407.474	1.537	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1	ZINC001164806181	721577037	/nfs/dbraw/zinc/57/70/37/721577037.db2.gz	PGFGBCFAFBXMHJ-BJLQDIEVSA-N	1	1	417.535	1.253	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1	ZINC001164806181	721577043	/nfs/dbraw/zinc/57/70/43/721577043.db2.gz	PGFGBCFAFBXMHJ-BJLQDIEVSA-N	1	1	417.535	1.253	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164810257	721587469	/nfs/dbraw/zinc/58/74/69/721587469.db2.gz	VNTHTDJQEWYNQA-LVCYWYKZSA-N	1	1	406.494	1.629	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@@H]2CCCO[C@H]12	ZINC001164801510	721590949	/nfs/dbraw/zinc/59/09/49/721590949.db2.gz	FBXHEIQFAFPJFL-RKVPGOIHSA-N	1	1	412.519	1.784	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@@H]2CCCO[C@H]12	ZINC001164801510	721590950	/nfs/dbraw/zinc/59/09/50/721590950.db2.gz	FBXHEIQFAFPJFL-RKVPGOIHSA-N	1	1	412.519	1.784	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@@H]2CCCO[C@H]12	ZINC001164808869	721591729	/nfs/dbraw/zinc/59/17/29/721591729.db2.gz	QZYFHSKMPMHTEQ-GGPKGHCWSA-N	1	1	408.506	1.716	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@@H]2CCCO[C@H]12	ZINC001164808869	721591731	/nfs/dbraw/zinc/59/17/31/721591731.db2.gz	QZYFHSKMPMHTEQ-GGPKGHCWSA-N	1	1	408.506	1.716	20	0		HDADMO
Cc1nc(N2CCCC2)cc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]1	ZINC001164911608	721770502	/nfs/dbraw/zinc/77/05/02/721770502.db2.gz	HTDRYRFFEUITJS-QHCPKHFHSA-N	1	1	424.549	1.888	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@@H]21	ZINC001165026379	721828600	/nfs/dbraw/zinc/82/86/00/721828600.db2.gz	PGFOJBUSDUYRAZ-BHYGNILZSA-N	1	1	402.524	1.256	20	0		HDADMO
CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2	ZINC001164927329	721836885	/nfs/dbraw/zinc/83/68/85/721836885.db2.gz	UAALPETVGSPKIF-GCJKJVERSA-N	1	1	424.553	1.283	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1	ZINC001164926085	721856497	/nfs/dbraw/zinc/85/64/97/721856497.db2.gz	HDHDSTMFJDNMJE-HUUCEWRRSA-N	1	1	403.556	1.138	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1	ZINC001164926085	721856499	/nfs/dbraw/zinc/85/64/99/721856499.db2.gz	HDHDSTMFJDNMJE-HUUCEWRRSA-N	1	1	403.556	1.138	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC001164932954	721878420	/nfs/dbraw/zinc/87/84/20/721878420.db2.gz	KJHDBJBJWMBQSP-MOPGFXCFSA-N	1	1	407.584	1.471	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC001164932954	721878422	/nfs/dbraw/zinc/87/84/22/721878422.db2.gz	KJHDBJBJWMBQSP-MOPGFXCFSA-N	1	1	407.584	1.471	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)nc1)C1CC1	ZINC001164956599	722045863	/nfs/dbraw/zinc/04/58/63/722045863.db2.gz	BKYQUSPFPZVZGN-LJQANCHMSA-N	1	1	414.550	1.910	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1	ZINC001164966660	722073848	/nfs/dbraw/zinc/07/38/48/722073848.db2.gz	FPACTVWKPFSHMN-KDURUIRLSA-N	1	1	415.538	1.556	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(CC3)Cc3ccccc3CNC4=O)n2)CC1	ZINC001164968168	722078492	/nfs/dbraw/zinc/07/84/92/722078492.db2.gz	UQMAUUKOQMZCFL-UHFFFAOYSA-N	1	1	406.534	1.688	20	0		HDADMO
Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCNC2	ZINC001164984765	722104932	/nfs/dbraw/zinc/10/49/32/722104932.db2.gz	UWYFRSXLZVDEJG-VQIMIIECSA-N	1	1	414.941	1.898	20	0		HDADMO
Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCNC2	ZINC001164984765	722104933	/nfs/dbraw/zinc/10/49/33/722104933.db2.gz	UWYFRSXLZVDEJG-VQIMIIECSA-N	1	1	414.941	1.898	20	0		HDADMO
NC(=O)c1ncc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164973104	722110005	/nfs/dbraw/zinc/11/00/05/722110005.db2.gz	GOYWOWTWMYDAQL-GJZGRUSLSA-N	1	1	402.886	1.351	20	0		HDADMO
COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12	ZINC001164983071	722126137	/nfs/dbraw/zinc/12/61/37/722126137.db2.gz	XXGRPZCUOGYKBN-SJLPKXTDSA-N	1	1	422.489	1.867	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164973301	722139815	/nfs/dbraw/zinc/13/98/15/722139815.db2.gz	BRQSZPVQUBXYGW-MJGOQNOKSA-N	1	1	417.535	1.112	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1	ZINC001164984914	722147915	/nfs/dbraw/zinc/14/79/15/722147915.db2.gz	YJAKTWMCEGGFFL-YLJYHZDGSA-N	1	1	408.506	1.491	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1	ZINC001164978935	722149047	/nfs/dbraw/zinc/14/90/47/722149047.db2.gz	LCDQANCKPPHASV-UXHICEINSA-N	1	1	411.506	1.837	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996592	722229458	/nfs/dbraw/zinc/22/94/58/722229458.db2.gz	KEGBLIYCTTWABD-UHFFFAOYSA-N	1	1	400.458	1.154	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2COC4)CC3)CC1	ZINC001164996044	722231886	/nfs/dbraw/zinc/23/18/86/722231886.db2.gz	BIRFEUZIRQENIF-UHFFFAOYSA-N	1	1	401.902	1.307	20	0		HDADMO
COc1nc(Cl)nc(C)c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996372	722233109	/nfs/dbraw/zinc/23/31/09/722233109.db2.gz	DSIOEGBQXIVWFK-UHFFFAOYSA-N	1	1	403.918	1.594	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2cc(-c4ccccn4)ncn2)CC3)CC1	ZINC001165001486	722238039	/nfs/dbraw/zinc/23/80/39/722238039.db2.gz	GQRCGLBKDXDRFO-UHFFFAOYSA-N	1	1	402.506	1.686	20	0		HDADMO
C[C@H]1CCCN(c2cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ncn2)C1	ZINC001165002779	722238558	/nfs/dbraw/zinc/23/85/58/722238558.db2.gz	YRLHVCZYZWSHRE-SFHVURJKSA-N	1	1	422.581	1.860	20	0		HDADMO
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000429047825	1073467666	/nfs/dbraw/zinc/46/76/66/1073467666.db2.gz	ZDAPFCLBHIFXLA-QFIPXVFZSA-N	1	1	402.539	1.900	20	0		HDADMO
CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000429051653	1073479655	/nfs/dbraw/zinc/47/96/55/1073479655.db2.gz	AGHRCPJUAHBTCS-GOSISDBHSA-N	1	1	410.540	1.107	20	0		HDADMO
Cc1c([C@H]2[C@H](NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC(=O)N2C)cnn1C	ZINC000429065493	1073502157	/nfs/dbraw/zinc/50/21/57/1073502157.db2.gz	OTZMGXTTWCHUJJ-AQKFKSFVSA-N	1	1	424.549	1.916	20	0		HDADMO
Cc1c([C@H]2[C@H](NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC(=O)N2C)cnn1C	ZINC000429065493	1073502166	/nfs/dbraw/zinc/50/21/66/1073502166.db2.gz	OTZMGXTTWCHUJJ-AQKFKSFVSA-N	1	1	424.549	1.916	20	0		HDADMO
CC(C)C[C@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)N1C(=O)c2ccccc2C1=O	ZINC000429074607	1073512547	/nfs/dbraw/zinc/51/25/47/1073512547.db2.gz	ONKHCOHWHUKGTG-GOSISDBHSA-N	1	1	409.490	1.780	20	0		HDADMO
CNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1	ZINC000027965982	1073583027	/nfs/dbraw/zinc/58/30/27/1073583027.db2.gz	BNRVFQNMQNDDBV-LBPRGKRZSA-N	1	1	405.451	1.045	20	0		HDADMO
COC(=O)C[C@](C)([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccccn1	ZINC000509120950	1073591563	/nfs/dbraw/zinc/59/15/63/1073591563.db2.gz	GDEUFAALUPGMSZ-FQEVSTJZSA-N	1	1	405.520	1.911	20	0		HDADMO
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000673656731	1073595349	/nfs/dbraw/zinc/59/53/49/1073595349.db2.gz	KBSBXZCLNIYPSH-HNAYVOBHSA-N	1	1	402.520	1.832	20	0		HDADMO
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000673656731	1073595356	/nfs/dbraw/zinc/59/53/56/1073595356.db2.gz	KBSBXZCLNIYPSH-HNAYVOBHSA-N	1	1	402.520	1.832	20	0		HDADMO
CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668943	1073622390	/nfs/dbraw/zinc/62/23/90/1073622390.db2.gz	CVKUEKAJXBTYLR-GHTZIAJQSA-N	1	1	419.614	1.978	20	0		HDADMO
CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668943	1073622392	/nfs/dbraw/zinc/62/23/92/1073622392.db2.gz	CVKUEKAJXBTYLR-GHTZIAJQSA-N	1	1	419.614	1.978	20	0		HDADMO
CN(C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673670023	1073625354	/nfs/dbraw/zinc/62/53/54/1073625354.db2.gz	OIMLDRLBUPUULR-PKTZIBPZSA-N	1	1	414.594	1.904	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1	ZINC000673682368	1073638168	/nfs/dbraw/zinc/63/81/68/1073638168.db2.gz	YTLXQTCTZAWJJX-ICSRJNTNSA-N	1	1	423.517	1.910	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1	ZINC000673682369	1073638369	/nfs/dbraw/zinc/63/83/69/1073638369.db2.gz	YTLXQTCTZAWJJX-QUCCMNQESA-N	1	1	423.517	1.910	20	0		HDADMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1	ZINC000673703214	1073644868	/nfs/dbraw/zinc/64/48/68/1073644868.db2.gz	ZCIVOKREGXOKBD-KRWDZBQOSA-N	1	1	400.589	1.612	20	0		HDADMO
CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H]2C)CC1	ZINC001299285403	1073650958	/nfs/dbraw/zinc/65/09/58/1073650958.db2.gz	OBGPFELJEKPUEP-QGZVFWFLSA-N	1	1	412.542	1.210	20	0		HDADMO
CNC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCC[N@@H+](C)C(C)C)CC1	ZINC001299285490	1073652833	/nfs/dbraw/zinc/65/28/33/1073652833.db2.gz	PHEIJXMXGZSHOS-UHFFFAOYSA-N	1	1	414.558	1.456	20	0		HDADMO
O=C(Cn1cc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cn1)NC1CCCCC1	ZINC000673738084	1073670483	/nfs/dbraw/zinc/67/04/83/1073670483.db2.gz	PYQLJMRZFDGDSI-HXUWFJFHSA-N	1	1	417.554	1.659	20	0		HDADMO
O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000509134214	1073691745	/nfs/dbraw/zinc/69/17/45/1073691745.db2.gz	CGEWWKWXAXQYJF-FPOVZHCZSA-N	1	1	421.563	1.498	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000673757100	1073692391	/nfs/dbraw/zinc/69/23/91/1073692391.db2.gz	IQLCIKDFIXTRNC-QGZVFWFLSA-N	1	1	416.547	1.869	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)CC1	ZINC000673758187	1073693027	/nfs/dbraw/zinc/69/30/27/1073693027.db2.gz	MCFSTXNCYYUIKX-UHFFFAOYSA-N	1	1	415.494	1.426	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1	ZINC000429126562	1073697473	/nfs/dbraw/zinc/69/74/73/1073697473.db2.gz	HWIHZKOBUCNEPN-QFBILLFUSA-N	1	1	408.568	1.478	20	0		HDADMO
C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673758486	1073698319	/nfs/dbraw/zinc/69/83/19/1073698319.db2.gz	RJVWUQYIQHUFGK-QWFCFKBJSA-N	1	1	407.580	1.617	20	0		HDADMO
C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673758486	1073698329	/nfs/dbraw/zinc/69/83/29/1073698329.db2.gz	RJVWUQYIQHUFGK-QWFCFKBJSA-N	1	1	407.580	1.617	20	0		HDADMO
CSc1nnc(CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)s1	ZINC000429123154	1073698981	/nfs/dbraw/zinc/69/89/81/1073698981.db2.gz	SWRWHDGSNZUAKI-ZDUSSCGKSA-N	1	1	407.569	1.665	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CCN(S(C)(=O)=O)CC1	ZINC000673769976	1073714326	/nfs/dbraw/zinc/71/43/26/1073714326.db2.gz	NTZCFDGDXOMECF-KRWDZBQOSA-N	1	1	408.568	1.716	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O	ZINC000673779141	1073735324	/nfs/dbraw/zinc/73/53/24/1073735324.db2.gz	XLYAGEVHMCNUPK-XLIONFOSSA-N	1	1	410.522	1.831	20	0		HDADMO
CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1	ZINC000673792302	1073737249	/nfs/dbraw/zinc/73/72/49/1073737249.db2.gz	ZNWSKDYQWDEOMF-OALUTQOASA-N	1	1	417.506	1.445	20	0		HDADMO
CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1	ZINC000673792302	1073737255	/nfs/dbraw/zinc/73/72/55/1073737255.db2.gz	ZNWSKDYQWDEOMF-OALUTQOASA-N	1	1	417.506	1.445	20	0		HDADMO
CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1	ZINC000673792303	1073737328	/nfs/dbraw/zinc/73/73/28/1073737328.db2.gz	ZNWSKDYQWDEOMF-RBUKOAKNSA-N	1	1	417.506	1.445	20	0		HDADMO
CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1	ZINC000673792303	1073737336	/nfs/dbraw/zinc/73/73/36/1073737336.db2.gz	ZNWSKDYQWDEOMF-RBUKOAKNSA-N	1	1	417.506	1.445	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1	ZINC000673789529	1073743685	/nfs/dbraw/zinc/74/36/85/1073743685.db2.gz	YGGUSPKHSVVBMF-KRWDZBQOSA-N	1	1	410.518	1.940	20	0		HDADMO
C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)[N@@H+](C)Cc1ccccc1	ZINC000673789176	1073744091	/nfs/dbraw/zinc/74/40/91/1073744091.db2.gz	PMSAAFPUKFYEIB-MRXNPFEDSA-N	1	1	408.502	1.938	20	0		HDADMO
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000673800837	1073749641	/nfs/dbraw/zinc/74/96/41/1073749641.db2.gz	CHZZBRUJOPSZCH-TZIWHRDSSA-N	1	1	405.564	1.925	20	0		HDADMO
CN1CCC[C@@H](NC(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000673802072	1073750878	/nfs/dbraw/zinc/75/08/78/1073750878.db2.gz	IKCXEKRSUAUSEO-HXUWFJFHSA-N	1	1	416.566	1.384	20	0		HDADMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CS(=O)(=O)CCO1	ZINC000509154489	1073775183	/nfs/dbraw/zinc/77/51/83/1073775183.db2.gz	RKEUTCUEDAPBJM-RBUKOAKNSA-N	1	1	409.552	1.354	20	0		HDADMO
Cc1cc(C(=O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1	ZINC000673830332	1073787793	/nfs/dbraw/zinc/78/77/93/1073787793.db2.gz	YYARASPBLLYPPY-OALUTQOASA-N	1	1	423.579	1.444	20	0		HDADMO
CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673837216	1073811038	/nfs/dbraw/zinc/81/10/38/1073811038.db2.gz	GUINSPLLVGDVOF-INIZCTEOSA-N	1	1	404.515	1.293	20	0		HDADMO
CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673837216	1073811054	/nfs/dbraw/zinc/81/10/54/1073811054.db2.gz	GUINSPLLVGDVOF-INIZCTEOSA-N	1	1	404.515	1.293	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1	ZINC000673858841	1073827881	/nfs/dbraw/zinc/82/78/81/1073827881.db2.gz	FUXKYCLCWOMMCW-UHFFFAOYSA-N	1	1	405.547	1.089	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occ4c2CCCC4)C3)O1	ZINC001004807303	1073844684	/nfs/dbraw/zinc/84/46/84/1073844684.db2.gz	QLSMFPMCHGCFJA-NPIHVYMDSA-N	1	1	401.507	1.739	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occ4c2CCCC4)C3)O1	ZINC001004807303	1073844689	/nfs/dbraw/zinc/84/46/89/1073844689.db2.gz	QLSMFPMCHGCFJA-NPIHVYMDSA-N	1	1	401.507	1.739	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1	ZINC000429157918	1073875703	/nfs/dbraw/zinc/87/57/03/1073875703.db2.gz	NZCWIIDLDFXVAH-GOSISDBHSA-N	1	1	424.998	1.739	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)s3)C2=O)c1	ZINC000673914870	1073885597	/nfs/dbraw/zinc/88/55/97/1073885597.db2.gz	FDYFYLPMNOSFTD-OAHLLOKOSA-N	1	1	411.505	1.308	20	0		HDADMO
CC[C@@H]1CN(C(=O)NCCNS(=O)(=O)NC(C)C)CC[N@H+]1Cc1ccccc1	ZINC000429163311	1073887314	/nfs/dbraw/zinc/88/73/14/1073887314.db2.gz	MVHQHIVYIMUZSJ-GOSISDBHSA-N	1	1	411.572	1.125	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1	ZINC000466556976	1073897235	/nfs/dbraw/zinc/89/72/35/1073897235.db2.gz	SQFBZLNVJBSAAX-FCEWJHQRSA-N	1	1	403.527	1.509	20	0		HDADMO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1	ZINC000429164683	1073901752	/nfs/dbraw/zinc/90/17/52/1073901752.db2.gz	XIBRQUJCJJCXNL-FZMZJTMJSA-N	1	1	422.938	1.757	20	0		HDADMO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1	ZINC000429164683	1073901757	/nfs/dbraw/zinc/90/17/57/1073901757.db2.gz	XIBRQUJCJJCXNL-FZMZJTMJSA-N	1	1	422.938	1.757	20	0		HDADMO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1	ZINC000429164685	1073902485	/nfs/dbraw/zinc/90/24/85/1073902485.db2.gz	XIBRQUJCJJCXNL-RISCZKNCSA-N	1	1	422.938	1.757	20	0		HDADMO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1	ZINC000429164685	1073902490	/nfs/dbraw/zinc/90/24/90/1073902490.db2.gz	XIBRQUJCJJCXNL-RISCZKNCSA-N	1	1	422.938	1.757	20	0		HDADMO
CC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(C)noc1C	ZINC000543507715	1073917802	/nfs/dbraw/zinc/91/78/02/1073917802.db2.gz	IWNMRYILXKJYOL-SFHVURJKSA-N	1	1	420.535	1.865	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)CCO1	ZINC000670432729	1073929429	/nfs/dbraw/zinc/92/94/29/1073929429.db2.gz	PLRSEFFZCHKGCH-MRXNPFEDSA-N	1	1	408.930	1.216	20	0		HDADMO
CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000429173230	1073940305	/nfs/dbraw/zinc/94/03/05/1073940305.db2.gz	ANUUJYNHJZAWAV-SFHVURJKSA-N	1	1	411.572	1.125	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1	ZINC000467668138	1073956170	/nfs/dbraw/zinc/95/61/70/1073956170.db2.gz	OTSAKVSQWUWOMX-CYBMUJFWSA-N	1	1	423.535	1.579	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC2CCN(c3cccnn3)CC2)C[C@@H](C)O1	ZINC000429176014	1073958029	/nfs/dbraw/zinc/95/80/29/1073958029.db2.gz	LUWLNOKNXWLHIM-ZHALLVOQSA-N	1	1	402.543	1.729	20	0		HDADMO
C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1nnc2ccccn21	ZINC000543518642	1073974261	/nfs/dbraw/zinc/97/42/61/1073974261.db2.gz	YCTCMSOCQHCUFL-OLZOCXBDSA-N	1	1	410.434	1.888	20	0		HDADMO
C[C@@H](NC(=O)C[N@H+](CCO)CCN1CCOCC1)c1ccc(Br)cc1	ZINC000484410965	1073981852	/nfs/dbraw/zinc/98/18/52/1073981852.db2.gz	NZOOEURWSDTNQO-OAHLLOKOSA-N	1	1	414.344	1.253	20	0		HDADMO
C[C@@H](NC(=O)C[N@@H+](CCO)CCN1CCOCC1)c1ccc(Br)cc1	ZINC000484410965	1073981855	/nfs/dbraw/zinc/98/18/55/1073981855.db2.gz	NZOOEURWSDTNQO-OAHLLOKOSA-N	1	1	414.344	1.253	20	0		HDADMO
Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000543523433	1073981906	/nfs/dbraw/zinc/98/19/06/1073981906.db2.gz	VIMPNTCKXNKLJL-MRXNPFEDSA-N	1	1	415.450	1.011	20	0		HDADMO
COc1ccc(Cn2nccc2NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c(OC)c1OC	ZINC000543523228	1073982958	/nfs/dbraw/zinc/98/29/58/1073982958.db2.gz	REZXKVORCMFIKP-OAHLLOKOSA-N	1	1	417.510	1.532	20	0		HDADMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1	ZINC000429185864	1074003600	/nfs/dbraw/zinc/00/36/00/1074003600.db2.gz	SXFSBCMFRFBEQA-SOLBZPMBSA-N	1	1	401.573	1.342	20	0		HDADMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1	ZINC000429185861	1074003780	/nfs/dbraw/zinc/00/37/80/1074003780.db2.gz	SXFSBCMFRFBEQA-JZXOWHBKSA-N	1	1	401.573	1.342	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000543535332	1074035604	/nfs/dbraw/zinc/03/56/04/1074035604.db2.gz	XGLSIYOXFNDSOD-HUUCEWRRSA-N	1	1	422.551	1.184	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000429192497	1074040994	/nfs/dbraw/zinc/04/09/94/1074040994.db2.gz	HQHPKLVQFZQAAM-UHFFFAOYSA-N	1	1	403.593	1.116	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000543535258	1074042419	/nfs/dbraw/zinc/04/24/19/1074042419.db2.gz	TYGHVUSEXYHRSU-HOTGVXAUSA-N	1	1	401.511	1.387	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000543535260	1074042441	/nfs/dbraw/zinc/04/24/41/1074042441.db2.gz	TYGHVUSEXYHRSU-JKSUJKDBSA-N	1	1	401.511	1.387	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@H](C)c2noc(Cc3ccccc3)n2)C1	ZINC000543544915	1074060296	/nfs/dbraw/zinc/06/02/96/1074060296.db2.gz	LVVWPOQWVZGUGA-MJGOQNOKSA-N	1	1	415.538	1.784	20	0		HDADMO
NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@H]2c2cccc(F)c2)cc1	ZINC000674014175	1074071098	/nfs/dbraw/zinc/07/10/98/1074071098.db2.gz	ZLUHRNVIHRCZGW-IBGZPJMESA-N	1	1	405.495	1.969	20	0		HDADMO
NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1	ZINC000674014176	1074071162	/nfs/dbraw/zinc/07/11/62/1074071162.db2.gz	ZLUHRNVIHRCZGW-LJQANCHMSA-N	1	1	405.495	1.969	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC[N@@H+]1CCO	ZINC000429199822	1074074404	/nfs/dbraw/zinc/07/44/04/1074074404.db2.gz	CJEZTRLGOOGZJI-INIZCTEOSA-N	1	1	410.540	1.392	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC[N@H+]1CCO	ZINC000429199822	1074074414	/nfs/dbraw/zinc/07/44/14/1074074414.db2.gz	CJEZTRLGOOGZJI-INIZCTEOSA-N	1	1	410.540	1.392	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N[C@@H]2CCCSC2)cc1	ZINC000674021680	1074078301	/nfs/dbraw/zinc/07/83/01/1074078301.db2.gz	JASBKFAGFZXTJX-QGZVFWFLSA-N	1	1	405.568	1.914	20	0		HDADMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000543553805	1074088197	/nfs/dbraw/zinc/08/81/97/1074088197.db2.gz	IOSOBPMGQBQLHJ-GOSISDBHSA-N	1	1	415.538	1.777	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c(=O)[nH]1	ZINC000543558645	1074103799	/nfs/dbraw/zinc/10/37/99/1074103799.db2.gz	YDDBFRCAPPKIAN-UHFFFAOYSA-N	1	1	404.389	1.147	20	0		HDADMO
CCCCCn1nc(C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000674038952	1074109645	/nfs/dbraw/zinc/10/96/45/1074109645.db2.gz	HCMDCTVFQDDSLH-SFHVURJKSA-N	1	1	404.559	1.559	20	0		HDADMO
Cn1cccc1C(=O)N1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1	ZINC000674037557	1074117364	/nfs/dbraw/zinc/11/73/64/1074117364.db2.gz	JMTSLHCPFIITEA-UHFFFAOYSA-N	1	1	401.486	1.764	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]1[C@@H](O)C(F)(F)F	ZINC000429207804	1074124724	/nfs/dbraw/zinc/12/47/24/1074124724.db2.gz	YXADBAIGWSOQSU-LSDHHAIUSA-N	1	1	416.448	1.086	20	0		HDADMO
CC(=O)N(C)c1ccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1	ZINC000674041393	1074126252	/nfs/dbraw/zinc/12/62/52/1074126252.db2.gz	DCBWDZGALUEKAR-UHFFFAOYSA-N	1	1	400.454	1.995	20	0		HDADMO
C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)cc2)C1	ZINC000674041061	1074127386	/nfs/dbraw/zinc/12/73/86/1074127386.db2.gz	HKTSKSBJYYIDTP-OAHLLOKOSA-N	1	1	409.552	1.796	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)[N@H+]1CCC2(CCOCC2)[C@@H]1C)c1ccc(S(N)(=O)=O)cc1	ZINC000543575159	1074146578	/nfs/dbraw/zinc/14/65/78/1074146578.db2.gz	YBMGDFOBNFYTJP-JYJNAYRXSA-N	1	1	409.552	1.791	20	0		HDADMO
O=C1COc2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2N1	ZINC000026112680	1074147622	/nfs/dbraw/zinc/14/76/22/1074147622.db2.gz	DCPVUWBXQVEIIO-UHFFFAOYSA-N	1	1	417.487	1.328	20	0		HDADMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1	ZINC000674055909	1074148587	/nfs/dbraw/zinc/14/85/87/1074148587.db2.gz	IRUMWJULHZYECH-GDBMZVCRSA-N	1	1	409.556	1.926	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC[C@@H]1CS(=O)(=O)CCO1	ZINC000509214025	1074152467	/nfs/dbraw/zinc/15/24/67/1074152467.db2.gz	WWMUCYUFGFWNRH-HUUCEWRRSA-N	1	1	401.554	1.073	20	0		HDADMO
O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000509215856	1074158472	/nfs/dbraw/zinc/15/84/72/1074158472.db2.gz	QCBRAZCKQQDSAF-UHFFFAOYSA-N	1	1	401.511	1.334	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccnc(O[C@H]2CCOC2)c1	ZINC000543578061	1074159959	/nfs/dbraw/zinc/15/99/59/1074159959.db2.gz	TXBUUYUJFJOTNQ-PCCBWWKXSA-N	1	1	411.502	1.862	20	0		HDADMO
CC[N@H+]1CCC[C@@H](CNC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)C1	ZINC000543581478	1074166643	/nfs/dbraw/zinc/16/66/43/1074166643.db2.gz	KUROLNUDKPKILQ-INIZCTEOSA-N	1	1	412.556	1.731	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1	ZINC000674091303	1074181186	/nfs/dbraw/zinc/18/11/86/1074181186.db2.gz	MHZBPEYLPSODFG-QZTJIDSGSA-N	1	1	417.554	1.137	20	0		HDADMO
CN(c1ccccc1)C1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1	ZINC000674158675	1074195759	/nfs/dbraw/zinc/19/57/59/1074195759.db2.gz	IDZRJQWFDAYBDN-HXUWFJFHSA-N	1	1	415.582	1.703	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccccc3CS(C)(=O)=O)CC2)C1	ZINC000674180914	1074199578	/nfs/dbraw/zinc/19/95/78/1074199578.db2.gz	JQJIDRDVYKIPBZ-LJQANCHMSA-N	1	1	408.568	1.153	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCC[C@H](CCO)C2)C[C@H](C)O1	ZINC000674205611	1074220738	/nfs/dbraw/zinc/22/07/38/1074220738.db2.gz	IUXAQNQFYXDZKF-FGTMMUONSA-N	1	1	403.523	1.855	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCC[C@H](CCO)C2)C[C@H](C)O1	ZINC000674205611	1074220743	/nfs/dbraw/zinc/22/07/43/1074220743.db2.gz	IUXAQNQFYXDZKF-FGTMMUONSA-N	1	1	403.523	1.855	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCC[C@@H](CCO)C2)C[C@@H](C)O1	ZINC000674205613	1074220904	/nfs/dbraw/zinc/22/09/04/1074220904.db2.gz	IUXAQNQFYXDZKF-KURKYZTESA-N	1	1	403.523	1.855	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC(O)(CC)CC3)cc2)CC1	ZINC000674221925	1074239792	/nfs/dbraw/zinc/23/97/92/1074239792.db2.gz	ARKBCKBEPLDSQD-UHFFFAOYSA-N	1	1	416.522	1.166	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1	ZINC000509223101	1074251540	/nfs/dbraw/zinc/25/15/40/1074251540.db2.gz	JHSQRYPFRJLIAS-MRXNPFEDSA-N	1	1	417.597	1.727	20	0		HDADMO
CO[C@@H](C)c1noc(CN2CCCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)n1	ZINC000674274578	1074254368	/nfs/dbraw/zinc/25/43/68/1074254368.db2.gz	RVBBETNMWPWCRA-RDJZCZTQSA-N	1	1	406.531	1.479	20	0		HDADMO
CO[C@H](C)c1noc(CN2CCCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)n1	ZINC000674274579	1074254406	/nfs/dbraw/zinc/25/44/06/1074254406.db2.gz	RVBBETNMWPWCRA-WBVHZDCISA-N	1	1	406.531	1.479	20	0		HDADMO
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C12CCCCC2	ZINC000674295630	1074261985	/nfs/dbraw/zinc/26/19/85/1074261985.db2.gz	OJALRGDWEHHODW-VAMGGRTRSA-N	1	1	408.587	1.820	20	0		HDADMO
O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000674298718	1074262723	/nfs/dbraw/zinc/26/27/23/1074262723.db2.gz	BUPNEIHUWRGKSH-RTWAWAEBSA-N	1	1	414.550	1.726	20	0		HDADMO
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000674299050	1074262828	/nfs/dbraw/zinc/26/28/28/1074262828.db2.gz	FZNWVNNBFKHVQC-ROUUACIJSA-N	1	1	406.914	1.952	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000674307935	1074266480	/nfs/dbraw/zinc/26/64/80/1074266480.db2.gz	MCJKARKTPSZWOO-FFZOFVMBSA-N	1	1	400.523	1.283	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3c(C)nn4cccnc34)cc2)CC1	ZINC000674313748	1074270074	/nfs/dbraw/zinc/27/00/74/1074270074.db2.gz	SISXTSXYSMSJCL-UHFFFAOYSA-N	1	1	406.490	1.997	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000674323664	1074273411	/nfs/dbraw/zinc/27/34/11/1074273411.db2.gz	IIZFBSWRIFOSMG-HXUWFJFHSA-N	1	1	422.533	1.791	20	0		HDADMO
COC1CC[NH+](CCNC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)CC1	ZINC000674329210	1074278061	/nfs/dbraw/zinc/27/80/61/1074278061.db2.gz	UBKOLWDRJGEJSL-UHFFFAOYSA-N	1	1	417.598	1.917	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C3CC3)cc2)CC1	ZINC000674321231	1074281909	/nfs/dbraw/zinc/28/19/09/1074281909.db2.gz	XBOXKSAAOUREJJ-MRXNPFEDSA-N	1	1	400.523	1.494	20	0		HDADMO
O=S(=O)(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc2c1OCO2	ZINC000509223564	1074289134	/nfs/dbraw/zinc/28/91/34/1074289134.db2.gz	KYKYXRUPOXZGBI-KRWDZBQOSA-N	1	1	404.488	1.851	20	0		HDADMO
CCS(=O)(=O)NCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000674348375	1074289264	/nfs/dbraw/zinc/28/92/64/1074289264.db2.gz	KTYFKVHMUPSMAT-UHFFFAOYSA-N	1	1	423.988	1.163	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1NCc1cccnc1	ZINC000674361316	1074292651	/nfs/dbraw/zinc/29/26/51/1074292651.db2.gz	IXFYKMLWTSYBPT-FQEVSTJZSA-N	1	1	409.534	1.830	20	0		HDADMO
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000674368849	1074298127	/nfs/dbraw/zinc/29/81/27/1074298127.db2.gz	AKWSDAJONKXIIZ-UHFFFAOYSA-N	1	1	413.540	1.556	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CCN2C1=O	ZINC000674379088	1074304281	/nfs/dbraw/zinc/30/42/81/1074304281.db2.gz	VSKPOTRVELJUNO-FCEWJHQRSA-N	1	1	414.506	1.404	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CCN2C1=O	ZINC000674379088	1074304291	/nfs/dbraw/zinc/30/42/91/1074304291.db2.gz	VSKPOTRVELJUNO-FCEWJHQRSA-N	1	1	414.506	1.404	20	0		HDADMO
COc1ccc(C)cc1CN1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1	ZINC000674402523	1074309318	/nfs/dbraw/zinc/30/93/18/1074309318.db2.gz	JQDDOJSMRXZSLQ-UHFFFAOYSA-N	1	1	400.527	1.831	20	0		HDADMO
COc1ccccc1C(=O)N1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1	ZINC000674402403	1074309418	/nfs/dbraw/zinc/30/94/18/1074309418.db2.gz	ICICTLYBWYBJEK-UHFFFAOYSA-N	1	1	400.483	1.162	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)n1C	ZINC000674402721	1074309428	/nfs/dbraw/zinc/30/94/28/1074309428.db2.gz	LWFBMYZSRGEVRS-GOSISDBHSA-N	1	1	420.945	1.700	20	0		HDADMO
Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1	ZINC000674411567	1074313132	/nfs/dbraw/zinc/31/31/32/1074313132.db2.gz	DSWNUWQTTLAKMC-HXUWFJFHSA-N	1	1	401.555	1.129	20	0		HDADMO
C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC3(CN4CCOCC4)CCCCC3)CC2)C1	ZINC000674403700	1074315519	/nfs/dbraw/zinc/31/55/19/1074315519.db2.gz	IHJDYXVYGZAEMQ-NRFANRHFSA-N	1	1	421.630	1.691	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC3(CN4CCOCC4)CCCCC3)CC2)C1	ZINC000674403700	1074315527	/nfs/dbraw/zinc/31/55/27/1074315527.db2.gz	IHJDYXVYGZAEMQ-NRFANRHFSA-N	1	1	421.630	1.691	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl	ZINC000674407056	1074316389	/nfs/dbraw/zinc/31/63/89/1074316389.db2.gz	YBMLOTFVMJGLJY-SECBINFHSA-N	1	1	421.698	1.542	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1	ZINC000674424335	1074325464	/nfs/dbraw/zinc/32/54/64/1074325464.db2.gz	KMBZVRHJMSZFCH-PHIMTYICSA-N	1	1	404.355	1.579	20	0		HDADMO
C[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@H+]1CCc2ccccc2C1	ZINC000674423607	1074326523	/nfs/dbraw/zinc/32/65/23/1074326523.db2.gz	GFHFXTOHZRHYRR-LDJQZATESA-N	1	1	413.522	1.453	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CC[NH+](CCc3cccs3)CC2)C1=O	ZINC000674439852	1074339088	/nfs/dbraw/zinc/33/90/88/1074339088.db2.gz	YXWQVHOBIVSYJS-MGPUTAFESA-N	1	1	419.551	1.338	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O	ZINC000674469096	1074366762	/nfs/dbraw/zinc/36/67/62/1074366762.db2.gz	WKIZYVZWUYJJCV-QGZVFWFLSA-N	1	1	413.478	1.110	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2COC)CC1	ZINC000674469132	1074366957	/nfs/dbraw/zinc/36/69/57/1074366957.db2.gz	GKJYKWUDTIIFIS-LJQANCHMSA-N	1	1	402.539	1.443	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O	ZINC000674469657	1074368464	/nfs/dbraw/zinc/36/84/64/1074368464.db2.gz	JCAJAYKDEJOQKG-PBHICJAKSA-N	1	1	422.913	1.534	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O	ZINC000674469657	1074368470	/nfs/dbraw/zinc/36/84/70/1074368470.db2.gz	JCAJAYKDEJOQKG-PBHICJAKSA-N	1	1	422.913	1.534	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000674470057	1074368536	/nfs/dbraw/zinc/36/85/36/1074368536.db2.gz	MOQXYHXUUIVWKE-ZDUSSCGKSA-N	1	1	421.972	1.345	20	0		HDADMO
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)[C@H]1C	ZINC000674479502	1074379657	/nfs/dbraw/zinc/37/96/57/1074379657.db2.gz	VBVNNCWWOYTKFF-SJORKVTESA-N	1	1	415.538	1.092	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NCC2(C)CCC2)cc1	ZINC000674483143	1074388094	/nfs/dbraw/zinc/38/80/94/1074388094.db2.gz	SXJZSMRRSDOIHI-UHFFFAOYSA-N	1	1	415.538	1.142	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@@H+](CCO)Cc2ccc(Br)s2)C[C@H](C)O1	ZINC000485131381	1074392061	/nfs/dbraw/zinc/39/20/61/1074392061.db2.gz	JDXOORJKWACBKF-MJBXVCDLSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@@H](O)CN(CCO)Cc2ccc(Br)s2)C[C@H](C)O1	ZINC000485131381	1074392075	/nfs/dbraw/zinc/39/20/75/1074392075.db2.gz	JDXOORJKWACBKF-MJBXVCDLSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H](O)CN(CCO)Cc2ccc(Br)s2)C[C@H](C)O1	ZINC000485131381	1074392083	/nfs/dbraw/zinc/39/20/83/1074392083.db2.gz	JDXOORJKWACBKF-MJBXVCDLSA-N	1	1	407.374	1.775	20	0		HDADMO
O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1	ZINC000674498423	1074408594	/nfs/dbraw/zinc/40/85/94/1074408594.db2.gz	QRQDBZQLYZAMOV-SZPZYZBQSA-N	1	1	420.513	1.642	20	0		HDADMO
O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1	ZINC000674498423	1074408603	/nfs/dbraw/zinc/40/86/03/1074408603.db2.gz	QRQDBZQLYZAMOV-SZPZYZBQSA-N	1	1	420.513	1.642	20	0		HDADMO
C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674514128	1074411247	/nfs/dbraw/zinc/41/12/47/1074411247.db2.gz	DIKGYCVTFHDYSV-AEFFLSMTSA-N	1	1	409.552	1.364	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1	ZINC000674515415	1074412014	/nfs/dbraw/zinc/41/20/14/1074412014.db2.gz	WEPFOGOXWNKZPR-OAHLLOKOSA-N	1	1	417.959	1.481	20	0		HDADMO
C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674515868	1074412343	/nfs/dbraw/zinc/41/23/43/1074412343.db2.gz	GQSQUEJKGGWODX-SJLPKXTDSA-N	1	1	422.595	1.325	20	0		HDADMO
C[C@@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674515868	1074412348	/nfs/dbraw/zinc/41/23/48/1074412348.db2.gz	GQSQUEJKGGWODX-SJLPKXTDSA-N	1	1	422.595	1.325	20	0		HDADMO
C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674515869	1074413275	/nfs/dbraw/zinc/41/32/75/1074413275.db2.gz	GQSQUEJKGGWODX-WMZOPIPTSA-N	1	1	422.595	1.325	20	0		HDADMO
C[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674515869	1074413283	/nfs/dbraw/zinc/41/32/83/1074413283.db2.gz	GQSQUEJKGGWODX-WMZOPIPTSA-N	1	1	422.595	1.325	20	0		HDADMO
Cc1ccccc1[C@@H](CC(=O)NCC1([NH+]2CCOCC2)CCOCC1)NC(N)=O	ZINC001626102338	1074415858	/nfs/dbraw/zinc/41/58/58/1074415858.db2.gz	ZIIQMLKCXWBWOA-GOSISDBHSA-N	1	1	404.511	1.092	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC3(CS(C)(=O)=O)CC3)cc2)CC1	ZINC000674559949	1074446857	/nfs/dbraw/zinc/44/68/57/1074446857.db2.gz	AKVXHTINPSDNJP-UHFFFAOYSA-N	1	1	422.551	1.411	20	0		HDADMO
CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1F	ZINC000674579639	1074457227	/nfs/dbraw/zinc/45/72/27/1074457227.db2.gz	JGOBQWHGKAIBLR-INIZCTEOSA-N	1	1	420.485	1.179	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000674633755	1074489805	/nfs/dbraw/zinc/48/98/05/1074489805.db2.gz	PJCZWEVCVPJRMZ-WBVHZDCISA-N	1	1	414.597	1.808	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCc1ccccc1)[C@H]1CCOC1	ZINC000674631790	1074496086	/nfs/dbraw/zinc/49/60/86/1074496086.db2.gz	VCDUQJAAQWDQEN-YADHBBJMSA-N	1	1	416.566	1.436	20	0		HDADMO
CC[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)C(=O)N1CCOCC1	ZINC000674647194	1074503932	/nfs/dbraw/zinc/50/39/32/1074503932.db2.gz	HTJJMJMCMXRHAZ-AZUAARDMSA-N	1	1	402.539	1.930	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H](C)CO[C@@H]3CCOC3)cc2)CC1	ZINC000674695875	1074526841	/nfs/dbraw/zinc/52/68/41/1074526841.db2.gz	RXAVHXJCGIEKDL-QFBILLFUSA-N	1	1	404.511	1.780	20	0		HDADMO
C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000670482921	1074550381	/nfs/dbraw/zinc/55/03/81/1074550381.db2.gz	RQTZIPNCMYGVEL-NQIIRXRSSA-N	1	1	400.567	1.751	20	0		HDADMO
C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000670482921	1074550389	/nfs/dbraw/zinc/55/03/89/1074550389.db2.gz	RQTZIPNCMYGVEL-NQIIRXRSSA-N	1	1	400.567	1.751	20	0		HDADMO
Cc1c(C(=O)Nc2nc3ccc(F)cn3n2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674749292	1074551405	/nfs/dbraw/zinc/55/14/05/1074551405.db2.gz	SBLALOODOUSGQO-UHFFFAOYSA-N	1	1	406.425	1.998	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)nn2)cc1	ZINC000674777605	1074552844	/nfs/dbraw/zinc/55/28/44/1074552844.db2.gz	BJRGEPGZVKIACY-MRXNPFEDSA-N	1	1	413.526	1.244	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)nn2)cc1	ZINC000674777605	1074552850	/nfs/dbraw/zinc/55/28/50/1074552850.db2.gz	BJRGEPGZVKIACY-MRXNPFEDSA-N	1	1	413.526	1.244	20	0		HDADMO
COCCOc1cc(C)ccc1CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000674778547	1074553856	/nfs/dbraw/zinc/55/38/56/1074553856.db2.gz	LCZVJSPOKOKDGP-IBGZPJMESA-N	1	1	404.555	1.988	20	0		HDADMO
COCCOc1cc(C)ccc1CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000674778547	1074553862	/nfs/dbraw/zinc/55/38/62/1074553862.db2.gz	LCZVJSPOKOKDGP-IBGZPJMESA-N	1	1	404.555	1.988	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(c2cccs2)CC1	ZINC000674783766	1074564435	/nfs/dbraw/zinc/56/44/35/1074564435.db2.gz	PXWZDSOAICVQBH-SFHVURJKSA-N	1	1	407.584	1.423	20	0		HDADMO
C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000674800619	1074574286	/nfs/dbraw/zinc/57/42/86/1074574286.db2.gz	KYIWWFMPYMPXKJ-WMZOPIPTSA-N	1	1	411.543	1.474	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1cccc(Cl)c1	ZINC000674800731	1074574600	/nfs/dbraw/zinc/57/46/00/1074574600.db2.gz	OPODJWOWQJZDTM-KRWDZBQOSA-N	1	1	403.914	1.866	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000674808871	1074575516	/nfs/dbraw/zinc/57/55/16/1074575516.db2.gz	KYIYUBAQZQOOBX-IRXDYDNUSA-N	1	1	419.551	1.210	20	0		HDADMO
COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)ccc1=O	ZINC000674811671	1074575943	/nfs/dbraw/zinc/57/59/43/1074575943.db2.gz	OAYLFWIWIPXRKV-GOSISDBHSA-N	1	1	415.490	1.516	20	0		HDADMO
CCCCOc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000674830712	1074587375	/nfs/dbraw/zinc/58/73/75/1074587375.db2.gz	SSGFVIYKRJCDAM-KSSFIOAISA-N	1	1	411.930	1.970	20	0		HDADMO
CCCCOc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000674830712	1074587382	/nfs/dbraw/zinc/58/73/82/1074587382.db2.gz	SSGFVIYKRJCDAM-KSSFIOAISA-N	1	1	411.930	1.970	20	0		HDADMO
Cc1c(C(=O)Nc2ncnn2-c2ccccc2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674890747	1074597829	/nfs/dbraw/zinc/59/78/29/1074597829.db2.gz	BRJJXSAYANOWMK-UHFFFAOYSA-N	1	1	414.473	1.819	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3)CC2)C1	ZINC000674877382	1074599624	/nfs/dbraw/zinc/59/96/24/1074599624.db2.gz	RBDNZWLZIZJHTC-IRXDYDNUSA-N	1	1	407.509	1.965	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)CC2)C1	ZINC000674877380	1074599669	/nfs/dbraw/zinc/59/96/69/1074599669.db2.gz	RBDNZWLZIZJHTC-IAGOWNOFSA-N	1	1	407.509	1.965	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)no1	ZINC000674895160	1074610972	/nfs/dbraw/zinc/61/09/72/1074610972.db2.gz	ZYONREQEWDNTHV-AWEZNQCLSA-N	1	1	402.451	1.583	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)no1	ZINC000674895160	1074610975	/nfs/dbraw/zinc/61/09/75/1074610975.db2.gz	ZYONREQEWDNTHV-AWEZNQCLSA-N	1	1	402.451	1.583	20	0		HDADMO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000674910304	1074615709	/nfs/dbraw/zinc/61/57/09/1074615709.db2.gz	KMNDDOGLLWQXBR-COPCDDAFSA-N	1	1	417.550	1.403	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1	ZINC000674922679	1074622297	/nfs/dbraw/zinc/62/22/97/1074622297.db2.gz	PUDGCXXZQDEJMM-NHCUHLMSSA-N	1	1	421.538	1.733	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1	ZINC000674926554	1074624072	/nfs/dbraw/zinc/62/40/72/1074624072.db2.gz	CIPQXSIEUFFWIM-QZTJIDSGSA-N	1	1	401.555	1.742	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1	ZINC000674926554	1074624082	/nfs/dbraw/zinc/62/40/82/1074624082.db2.gz	CIPQXSIEUFFWIM-QZTJIDSGSA-N	1	1	401.555	1.742	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1)[NH+]1CCOCC1	ZINC000674999445	1074666393	/nfs/dbraw/zinc/66/63/93/1074666393.db2.gz	ZTLAUBSROPJGPA-UXPWSPDFSA-N	1	1	417.506	1.425	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000429312299	1074681776	/nfs/dbraw/zinc/68/17/76/1074681776.db2.gz	SEMFYJIZEDBUNV-IAGOWNOFSA-N	1	1	404.511	1.013	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000429312301	1074681913	/nfs/dbraw/zinc/68/19/13/1074681913.db2.gz	SEMFYJIZEDBUNV-SJORKVTESA-N	1	1	404.511	1.013	20	0		HDADMO
CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1	ZINC000429316550	1074705349	/nfs/dbraw/zinc/70/53/49/1074705349.db2.gz	MAWYRQPKCAUGMP-OAQYLSRUSA-N	1	1	416.566	1.972	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)nn1C1CCCCC1	ZINC000572328396	1074714497	/nfs/dbraw/zinc/71/44/97/1074714497.db2.gz	XXECEKCSXJGTMW-UHFFFAOYSA-N	1	1	403.527	1.958	20	0		HDADMO
O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675103582	1074719657	/nfs/dbraw/zinc/71/96/57/1074719657.db2.gz	XPZGRCWBCXGHSJ-DLBZAZTESA-N	1	1	422.961	1.019	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)CCN2C1=O	ZINC000675106758	1074721491	/nfs/dbraw/zinc/72/14/91/1074721491.db2.gz	NMHKOPCIGRYXHM-AEFFLSMTSA-N	1	1	401.511	1.575	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)CCN2C1=O	ZINC000675106761	1074721597	/nfs/dbraw/zinc/72/15/97/1074721597.db2.gz	NMHKOPCIGRYXHM-WMZOPIPTSA-N	1	1	401.511	1.575	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CCN2C1=O	ZINC000675108370	1074723385	/nfs/dbraw/zinc/72/33/85/1074723385.db2.gz	TWFYYOOKHWQLBN-UHOSZYNNSA-N	1	1	413.522	1.575	20	0		HDADMO
Cc1cc(F)c(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)cc1F	ZINC000675136741	1074728585	/nfs/dbraw/zinc/72/85/85/1074728585.db2.gz	YGOPWDSORQOJPE-UHFFFAOYSA-N	1	1	408.493	1.584	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1	ZINC000675127039	1074731030	/nfs/dbraw/zinc/73/10/30/1074731030.db2.gz	YXYSGCCBWJNMSC-WMZOPIPTSA-N	1	1	404.474	1.985	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[C@@H](CO)CC3)c2)CC1	ZINC000675141640	1074741403	/nfs/dbraw/zinc/74/14/03/1074741403.db2.gz	XBPWJDAGTQBXOG-CALCHBBNSA-N	1	1	424.567	1.685	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[C@@H](CO)CC3)c2)CC1	ZINC000675141640	1074741413	/nfs/dbraw/zinc/74/14/13/1074741413.db2.gz	XBPWJDAGTQBXOG-CALCHBBNSA-N	1	1	424.567	1.685	20	0		HDADMO
COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)n1	ZINC000537255295	1074748655	/nfs/dbraw/zinc/74/86/55/1074748655.db2.gz	SSBUBRJSTPCWTI-ZWKOTPCHSA-N	1	1	420.558	1.857	20	0		HDADMO
COC(=O)Cn1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)n1	ZINC000537255293	1074748832	/nfs/dbraw/zinc/74/88/32/1074748832.db2.gz	SSBUBRJSTPCWTI-ROUUACIJSA-N	1	1	420.558	1.857	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nn1C1CCCCC1	ZINC000579676495	1074750773	/nfs/dbraw/zinc/75/07/73/1074750773.db2.gz	SFDQCHRHQLSTDR-IBGZPJMESA-N	1	1	418.586	2.023	20	0		HDADMO
O=C(NCCCc1ccc2c(c1)OCCO2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675191607	1074753036	/nfs/dbraw/zinc/75/30/36/1074753036.db2.gz	SVYIWSWYKARGLX-LJQANCHMSA-N	1	1	418.538	1.096	20	0		HDADMO
O=C(NCCNc1cc[nH+]c(N2CCOCC2)n1)c1ccc(Br)cc1	ZINC000543701080	1074753322	/nfs/dbraw/zinc/75/33/22/1074753322.db2.gz	VNJABQYXGJPJKT-UHFFFAOYSA-N	1	1	406.284	1.918	20	0		HDADMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1	ZINC000675213181	1074765328	/nfs/dbraw/zinc/76/53/28/1074765328.db2.gz	SHJQOOKYOCXQHT-KRWDZBQOSA-N	1	1	404.511	1.837	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)CC(C)(C)OC)cc2)CC1	ZINC000675216058	1074765754	/nfs/dbraw/zinc/76/57/54/1074765754.db2.gz	VYBVTPOXFGFFHX-UHFFFAOYSA-N	1	1	404.511	1.286	20	0		HDADMO
C[N@@H+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1	ZINC000030030352	1074779336	/nfs/dbraw/zinc/77/93/36/1074779336.db2.gz	WMJGOLUFPFLXHZ-HXUWFJFHSA-N	1	1	401.532	1.907	20	0		HDADMO
C[N@H+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1	ZINC000030030352	1074779345	/nfs/dbraw/zinc/77/93/45/1074779345.db2.gz	WMJGOLUFPFLXHZ-HXUWFJFHSA-N	1	1	401.532	1.907	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)Nc1ccn(CC(F)F)n1	ZINC000444511291	1074783877	/nfs/dbraw/zinc/78/38/77/1074783877.db2.gz	WFRFWTOSTQAULN-ZDUSSCGKSA-N	1	1	411.478	2.177	20	0		HDADMO
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000675280006	1074784260	/nfs/dbraw/zinc/78/42/60/1074784260.db2.gz	ATBPWJMTINFNCM-GOSISDBHSA-N	1	1	423.579	1.586	20	0		HDADMO
COc1nn(C)c2nc(C)c(CCC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)c(C)c12	ZINC000675281777	1074786640	/nfs/dbraw/zinc/78/66/40/1074786640.db2.gz	UBWCAAXHHNISBH-INIZCTEOSA-N	1	1	401.511	1.459	20	0		HDADMO
O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000675297692	1074791427	/nfs/dbraw/zinc/79/14/27/1074791427.db2.gz	QKHMKBYRPJQVLZ-WMLDXEAASA-N	1	1	420.460	1.319	20	0		HDADMO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000477092948	1074791501	/nfs/dbraw/zinc/79/15/01/1074791501.db2.gz	DDBTZSLMZBTSFX-IRXDYDNUSA-N	1	1	421.561	1.601	20	0		HDADMO
C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000675300500	1074792073	/nfs/dbraw/zinc/79/20/73/1074792073.db2.gz	AVSISUXRBUBQOZ-IEBWSBKVSA-N	1	1	418.538	1.962	20	0		HDADMO
CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1	ZINC000466670445	1074794812	/nfs/dbraw/zinc/79/48/12/1074794812.db2.gz	RSPITOLWJFLMSD-XHDPSFHLSA-N	1	1	410.462	1.995	20	0		HDADMO
C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[N@H+]1CCC[C@@H](C)C1	ZINC000675317762	1074797690	/nfs/dbraw/zinc/79/76/90/1074797690.db2.gz	BAFHFANKJPBFAB-RKVPGOIHSA-N	1	1	420.941	1.798	20	0		HDADMO
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1nnnn1CC1CCOCC1	ZINC000766113263	1074820609	/nfs/dbraw/zinc/82/06/09/1074820609.db2.gz	JIVTVOZXBGFJMM-ZDUSSCGKSA-N	1	1	411.507	1.601	20	0		HDADMO
C[C@H](C[C@@H]1CCOC1)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000675367496	1074822128	/nfs/dbraw/zinc/82/21/28/1074822128.db2.gz	ORDWLDMHQXUQNO-MSOLQXFVSA-N	1	1	417.554	1.833	20	0		HDADMO
COc1ccccc1OCCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000670507390	1075094502	/nfs/dbraw/zinc/09/45/02/1075094502.db2.gz	DBKAZXYNBQKGKI-LJQANCHMSA-N	1	1	411.502	1.923	20	0		HDADMO
Cc1cc(NC(=O)CCN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)no1	ZINC000501987359	1075094867	/nfs/dbraw/zinc/09/48/67/1075094867.db2.gz	VRRROGKKQAYFRF-OAQYLSRUSA-N	1	1	411.462	1.898	20	0		HDADMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C	ZINC000446788619	1075096914	/nfs/dbraw/zinc/09/69/14/1075096914.db2.gz	YGLUZJVPTXJHHZ-MRXNPFEDSA-N	1	1	416.501	2.424	20	0		HDADMO
COc1ncc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(N)=O	ZINC000429334391	1075098236	/nfs/dbraw/zinc/09/82/36/1075098236.db2.gz	MUKNXBOSLWUCNS-NRFANRHFSA-N	1	1	413.478	1.290	20	0		HDADMO
CN(C)C(=O)Cn1cc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1	ZINC000429337902	1075115445	/nfs/dbraw/zinc/11/54/45/1075115445.db2.gz	ZTVCOTGWSQMAMI-NRFANRHFSA-N	1	1	414.510	1.072	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1	ZINC000670511920	1075115561	/nfs/dbraw/zinc/11/55/61/1075115561.db2.gz	VKOHORZXJFJTII-UHFFFAOYSA-N	1	1	415.456	1.669	20	0		HDADMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000565064193	1075119701	/nfs/dbraw/zinc/11/97/01/1075119701.db2.gz	ITWXFVLAHZTGFD-AWEZNQCLSA-N	1	1	406.918	2.155	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1	ZINC000675404854	1075129576	/nfs/dbraw/zinc/12/95/76/1075129576.db2.gz	VIALUVQGTIKBBP-UYAOXDASSA-N	1	1	424.549	1.669	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(F)ccc3OC(F)F)CC2)C1	ZINC000675404672	1075129592	/nfs/dbraw/zinc/12/95/92/1075129592.db2.gz	UWPSGJUHGMXBMN-CQSZACIVSA-N	1	1	414.428	1.604	20	0		HDADMO
COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)CN2CCOCC2)c1	ZINC000766122269	1075132580	/nfs/dbraw/zinc/13/25/80/1075132580.db2.gz	SLOZELQLFBIELP-JTHBVZDNSA-N	1	1	400.519	1.924	20	0		HDADMO
C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000675412979	1075137519	/nfs/dbraw/zinc/13/75/19/1075137519.db2.gz	ZQIBKITWSLRGLY-ZWKOTPCHSA-N	1	1	418.538	1.183	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H]3CCn4ccnc4C3)cc2)CC1	ZINC000429344212	1075139776	/nfs/dbraw/zinc/13/97/76/1075139776.db2.gz	ICBTYQHHBYYDRL-LJQANCHMSA-N	1	1	410.522	1.726	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000496014097	1075148759	/nfs/dbraw/zinc/14/87/59/1075148759.db2.gz	PNUKCTFTLNDOHJ-MJGOQNOKSA-N	1	1	413.522	1.885	20	0		HDADMO
Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000675451691	1075151849	/nfs/dbraw/zinc/15/18/49/1075151849.db2.gz	POGKIZSVUJUCDB-INIZCTEOSA-N	1	1	421.860	1.412	20	0		HDADMO
Cc1cc(-n2c(C)cc(C(=O)CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2C)no1	ZINC000766138987	1075159996	/nfs/dbraw/zinc/15/99/96/1075159996.db2.gz	IGIFPZGBYNOXCX-IBGZPJMESA-N	1	1	413.522	1.812	20	0		HDADMO
Cc1cc(-n2c(C)cc(C(=O)CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2C)no1	ZINC000766138987	1075160005	/nfs/dbraw/zinc/16/00/05/1075160005.db2.gz	IGIFPZGBYNOXCX-IBGZPJMESA-N	1	1	413.522	1.812	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)Nc2ccn(CCOC)n2)CC[N@@H+]1Cc1ccccc1	ZINC000537264760	1075161877	/nfs/dbraw/zinc/16/18/77/1075161877.db2.gz	KPKCVKLVGNNKLV-IBGZPJMESA-N	1	1	413.522	1.981	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)Nc2ccn(CCOC)n2)CC[N@H+]1Cc1ccccc1	ZINC000537264760	1075161879	/nfs/dbraw/zinc/16/18/79/1075161879.db2.gz	KPKCVKLVGNNKLV-IBGZPJMESA-N	1	1	413.522	1.981	20	0		HDADMO
CN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000144109181	1075162025	/nfs/dbraw/zinc/16/20/25/1075162025.db2.gz	AXPYIYGOEIJFDU-UHFFFAOYSA-N	1	1	400.504	1.733	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000144354518	1075169602	/nfs/dbraw/zinc/16/96/02/1075169602.db2.gz	GCUBYJBKPQFECW-OLZOCXBDSA-N	1	1	413.421	1.810	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000144354518	1075169605	/nfs/dbraw/zinc/16/96/05/1075169605.db2.gz	GCUBYJBKPQFECW-OLZOCXBDSA-N	1	1	413.421	1.810	20	0		HDADMO
C[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675483009	1075171956	/nfs/dbraw/zinc/17/19/56/1075171956.db2.gz	WZOUTWCFCWLPSM-LPHOPBHVSA-N	1	1	409.552	1.495	20	0		HDADMO
C[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675483009	1075171958	/nfs/dbraw/zinc/17/19/58/1075171958.db2.gz	WZOUTWCFCWLPSM-LPHOPBHVSA-N	1	1	409.552	1.495	20	0		HDADMO
O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000675485753	1075173321	/nfs/dbraw/zinc/17/33/21/1075173321.db2.gz	DNFKRXWQCDEMGZ-OAHLLOKOSA-N	1	1	405.890	1.051	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)cc1)[NH+]1CCOCC1	ZINC000675516949	1075182185	/nfs/dbraw/zinc/18/21/85/1075182185.db2.gz	ITBDTSRJMLMMDB-OAHLLOKOSA-N	1	1	423.535	1.054	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1	ZINC000675519872	1075184977	/nfs/dbraw/zinc/18/49/77/1075184977.db2.gz	NKDBTLCXWVVVNP-MSOLQXFVSA-N	1	1	400.479	1.971	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1	ZINC000675519872	1075184983	/nfs/dbraw/zinc/18/49/83/1075184983.db2.gz	NKDBTLCXWVVVNP-MSOLQXFVSA-N	1	1	400.479	1.971	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500977	1075185517	/nfs/dbraw/zinc/18/55/17/1075185517.db2.gz	RKBJDMNLVYFQPW-WOJBJXKFSA-N	1	1	423.579	1.885	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500977	1075185520	/nfs/dbraw/zinc/18/55/20/1075185520.db2.gz	RKBJDMNLVYFQPW-WOJBJXKFSA-N	1	1	423.579	1.885	20	0		HDADMO
CC[C@H](NC(=O)N1CCC(NC(C)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500794	1075185686	/nfs/dbraw/zinc/18/56/86/1075185686.db2.gz	LTSFRVHNQLNHAO-LEWJYISDSA-N	1	1	402.539	1.976	20	0		HDADMO
CC[C@H](NC(=O)N1CCC(NC(C)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500794	1075185688	/nfs/dbraw/zinc/18/56/88/1075185688.db2.gz	LTSFRVHNQLNHAO-LEWJYISDSA-N	1	1	402.539	1.976	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC(S(C)(=O)=O)CC3)CC2)cc1	ZINC000675505665	1075187410	/nfs/dbraw/zinc/18/74/10/1075187410.db2.gz	QSILMNRVQMYHEV-UHFFFAOYSA-N	1	1	423.579	1.239	20	0		HDADMO
C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766165360	1075200726	/nfs/dbraw/zinc/20/07/26/1075200726.db2.gz	FPGFRTOQBQYFLU-DZKIICNBSA-N	1	1	403.570	1.546	20	0		HDADMO
C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766165360	1075200731	/nfs/dbraw/zinc/20/07/31/1075200731.db2.gz	FPGFRTOQBQYFLU-DZKIICNBSA-N	1	1	403.570	1.546	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)no1	ZINC000500895510	1075200806	/nfs/dbraw/zinc/20/08/06/1075200806.db2.gz	WAEWBRMBJWGSFP-OAHLLOKOSA-N	1	1	412.556	1.860	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675558541	1075202637	/nfs/dbraw/zinc/20/26/37/1075202637.db2.gz	LGFQNTQARSKTFJ-QZTJIDSGSA-N	1	1	407.559	1.019	20	0		HDADMO
CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675579660	1075211454	/nfs/dbraw/zinc/21/14/54/1075211454.db2.gz	QAWQMNLZNVPSHR-LJQANCHMSA-N	1	1	401.532	2.000	20	0		HDADMO
CCOc1ccc(OCCNC(=O)C[NH+]2CCC(C3N=NC(=O)N3CC)CC2)cc1	ZINC000675583947	1075213442	/nfs/dbraw/zinc/21/34/42/1075213442.db2.gz	YRSAJZRZAWKLIZ-UHFFFAOYSA-N	1	1	417.510	1.777	20	0		HDADMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[C@H](C)O1	ZINC000675585112	1075213930	/nfs/dbraw/zinc/21/39/30/1075213930.db2.gz	CKGVDSQJCSDOBZ-UXLLHSPISA-N	1	1	407.515	1.005	20	0		HDADMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[C@H](C)O1	ZINC000675585112	1075213934	/nfs/dbraw/zinc/21/39/34/1075213934.db2.gz	CKGVDSQJCSDOBZ-UXLLHSPISA-N	1	1	407.515	1.005	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[C@@H](C)O1	ZINC000675585111	1075213958	/nfs/dbraw/zinc/21/39/58/1075213958.db2.gz	CKGVDSQJCSDOBZ-INMHGKMJSA-N	1	1	407.515	1.005	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C(N)=O)cc2)CC1	ZINC000675568250	1075217937	/nfs/dbraw/zinc/21/79/37/1075217937.db2.gz	ZVVZZVPJBBORRO-QZTJIDSGSA-N	1	1	401.511	1.630	20	0		HDADMO
CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1	ZINC000675604821	1075221851	/nfs/dbraw/zinc/22/18/51/1075221851.db2.gz	GDKIWSFZWCGUCE-LJQANCHMSA-N	1	1	402.539	1.442	20	0		HDADMO
CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000675604821	1075221858	/nfs/dbraw/zinc/22/18/58/1075221858.db2.gz	GDKIWSFZWCGUCE-LJQANCHMSA-N	1	1	402.539	1.442	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000429363534	1075228345	/nfs/dbraw/zinc/22/83/45/1075228345.db2.gz	PYLAIFQSOJNKMW-CRAIPNDOSA-N	1	1	423.583	1.296	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)CC1	ZINC000541371814	1075231720	/nfs/dbraw/zinc/23/17/20/1075231720.db2.gz	UMAIUPLGHLWCNB-KRWDZBQOSA-N	1	1	404.559	1.635	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3ccn(C(C)C)n3)cc2)CC1	ZINC000483556669	1075232538	/nfs/dbraw/zinc/23/25/38/1075232538.db2.gz	FDZCRPQLQGTUAF-UHFFFAOYSA-N	1	1	412.538	1.856	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)[C@H](C)C1	ZINC000441046129	1075237415	/nfs/dbraw/zinc/23/74/15/1075237415.db2.gz	ACYVVFKYEGVTRN-APWZRJJASA-N	1	1	413.522	2.067	20	0		HDADMO
CO[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Cl	ZINC000675651515	1075247333	/nfs/dbraw/zinc/24/73/33/1075247333.db2.gz	ALDNBFQXSFHSAO-APWZRJJASA-N	1	1	410.946	1.733	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1	ZINC000441692187	1075247329	/nfs/dbraw/zinc/24/73/29/1075247329.db2.gz	SMDNGDGJIXACOQ-GJZGRUSLSA-N	1	1	410.478	2.401	20	0		HDADMO
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000509359761	1075250705	/nfs/dbraw/zinc/25/07/05/1075250705.db2.gz	YRNABDHGYXICAV-ZDUSSCGKSA-N	1	1	407.458	1.880	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1csc(NC(=O)c2cccs2)n1	ZINC000675697004	1075255419	/nfs/dbraw/zinc/25/54/19/1075255419.db2.gz	YWXOGUXYGPIZKW-UHFFFAOYSA-N	1	1	421.548	1.232	20	0		HDADMO
CS(=O)(=O)NC1(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1	ZINC000675709337	1075259291	/nfs/dbraw/zinc/25/92/91/1075259291.db2.gz	ADVIOIDRCSYLKG-SJORKVTESA-N	1	1	416.588	1.181	20	0		HDADMO
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000675699206	1075260142	/nfs/dbraw/zinc/26/01/42/1075260142.db2.gz	RKUPZHHAQRBPAZ-RHSMWYFYSA-N	1	1	422.551	1.302	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000804221124	1075261012	/nfs/dbraw/zinc/26/10/12/1075261012.db2.gz	QWEIQNQNFMTUCX-OAHLLOKOSA-N	1	1	406.502	1.523	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	ZINC000675755829	1075265171	/nfs/dbraw/zinc/26/51/71/1075265171.db2.gz	ZNPYJXDTKSJZPH-GOSISDBHSA-N	1	1	412.600	1.692	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	ZINC000675755829	1075265175	/nfs/dbraw/zinc/26/51/75/1075265175.db2.gz	ZNPYJXDTKSJZPH-GOSISDBHSA-N	1	1	412.600	1.692	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)s1	ZINC000533396620	1075270134	/nfs/dbraw/zinc/27/01/34/1075270134.db2.gz	CZAWUDCWEHSERP-UHFFFAOYSA-N	1	1	418.523	1.587	20	0		HDADMO
CCCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000429377893	1075270380	/nfs/dbraw/zinc/27/03/80/1075270380.db2.gz	FYEIOVNKSABOEG-NCOADZHNSA-N	1	1	402.557	1.320	20	0		HDADMO
CCCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000429377893	1075270382	/nfs/dbraw/zinc/27/03/82/1075270382.db2.gz	FYEIOVNKSABOEG-NCOADZHNSA-N	1	1	402.557	1.320	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC[N@@H+]1CCO	ZINC000429377002	1075273093	/nfs/dbraw/zinc/27/30/93/1075273093.db2.gz	LFTGORUJCFICFV-MRXNPFEDSA-N	1	1	406.552	1.335	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC[N@H+]1CCO	ZINC000429377002	1075273099	/nfs/dbraw/zinc/27/30/99/1075273099.db2.gz	LFTGORUJCFICFV-MRXNPFEDSA-N	1	1	406.552	1.335	20	0		HDADMO
CN(CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)S(C)(=O)=O	ZINC000675810448	1075275114	/nfs/dbraw/zinc/27/51/14/1075275114.db2.gz	LXXTYUWWIXACBR-UXHICEINSA-N	1	1	422.595	1.964	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O	ZINC000675826654	1075278942	/nfs/dbraw/zinc/27/89/42/1075278942.db2.gz	PLNRNUONQRNORJ-QZTJIDSGSA-N	1	1	407.559	1.162	20	0		HDADMO
O=S(=O)(c1ccccc1)N1CCC(CNc2cc[nH+]c(N3CCOCC3)n2)CC1	ZINC000541836765	1075286182	/nfs/dbraw/zinc/28/61/82/1075286182.db2.gz	NRPJALQFKGKYIO-UHFFFAOYSA-N	1	1	417.535	1.826	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@@H]3CCCS3(=O)=O)cc2)CC1	ZINC000675884479	1075288821	/nfs/dbraw/zinc/28/88/21/1075288821.db2.gz	ZQAWWPKFVOVQFG-KRWDZBQOSA-N	1	1	408.524	1.163	20	0		HDADMO
CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000675934933	1075296641	/nfs/dbraw/zinc/29/66/41/1075296641.db2.gz	AIMLJPJFZRRGKX-QGZVFWFLSA-N	1	1	414.959	1.002	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)[C@H]1C(C)C	ZINC000429383075	1075296819	/nfs/dbraw/zinc/29/68/19/1075296819.db2.gz	QGTMXRGBWRZRTH-YJBOKZPZSA-N	1	1	407.536	1.552	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1	ZINC000731301686	1075302755	/nfs/dbraw/zinc/30/27/55/1075302755.db2.gz	ZFZIQZBFMXGOHZ-QGZVFWFLSA-N	1	1	410.540	1.667	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CCN3C(=O)NC4(CCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731292866	1075303434	/nfs/dbraw/zinc/30/34/34/1075303434.db2.gz	HQCXWXMBOPVPGZ-MRXNPFEDSA-N	1	1	415.494	1.860	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)nc(C)[nH+]1	ZINC000731296990	1075306231	/nfs/dbraw/zinc/30/62/31/1075306231.db2.gz	ZNBZXNRQNAXFNG-YWZLYKJASA-N	1	1	401.467	1.326	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CCNS(=O)(=O)c3cccnc3)C2)nc(C)[nH+]1	ZINC000731297717	1075306556	/nfs/dbraw/zinc/30/65/56/1075306556.db2.gz	ZMHKMVJOZGRHIL-MRXNPFEDSA-N	1	1	419.507	1.369	20	0		HDADMO
COc1ccc(CNC(=S)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1	ZINC000731317078	1075309580	/nfs/dbraw/zinc/30/95/80/1075309580.db2.gz	IIAZZAMQHUIKAE-UHFFFAOYSA-N	1	1	404.580	1.946	20	0		HDADMO
Cc1c(C(=O)NC2CC[NH+](CC(N)=O)CC2)nnn1-c1ccc(OC(C)C)cc1	ZINC000731366272	1075310278	/nfs/dbraw/zinc/31/02/78/1075310278.db2.gz	ZBZUVEVGFOUHOX-UHFFFAOYSA-N	1	1	400.483	1.042	20	0		HDADMO
CCCCN(C(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000675973633	1075316585	/nfs/dbraw/zinc/31/65/85/1075316585.db2.gz	YHPKSEAFKAHEKT-QGZVFWFLSA-N	1	1	409.552	1.809	20	0		HDADMO
O=C(C[NH+]1CCC(n2cccn2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000731353833	1075317143	/nfs/dbraw/zinc/31/71/43/1075317143.db2.gz	KBOCHLVRJKQVJG-UHFFFAOYSA-N	1	1	417.535	1.943	20	0		HDADMO
CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1	ZINC000731354212	1075317610	/nfs/dbraw/zinc/31/76/10/1075317610.db2.gz	FQPFJDYSZZTFNP-GOSISDBHSA-N	1	1	418.538	1.899	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000544254722	1075317720	/nfs/dbraw/zinc/31/77/20/1075317720.db2.gz	RCIBJKMPASMJAT-GASCZTMLSA-N	1	1	407.515	1.950	20	0		HDADMO
COC(=O)c1ccc2c(cnn2C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1	ZINC000731356119	1075318440	/nfs/dbraw/zinc/31/84/40/1075318440.db2.gz	OSQVGBRCVXIDNP-UHFFFAOYSA-N	1	1	413.522	1.657	20	0		HDADMO
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(n2cccn2)CC1	ZINC000731355744	1075318837	/nfs/dbraw/zinc/31/88/37/1075318837.db2.gz	VHMNVJKFPGABGI-HXUWFJFHSA-N	1	1	409.490	1.902	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000544252868	1075319941	/nfs/dbraw/zinc/31/99/41/1075319941.db2.gz	HWTZZIVZAOSOLO-UHFFFAOYSA-N	1	1	418.473	1.680	20	0		HDADMO
CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)C[C@H]2C)CC1	ZINC000676056032	1075334746	/nfs/dbraw/zinc/33/47/46/1075334746.db2.gz	QRNIADCCOGNSIP-DBXWQHBBSA-N	1	1	414.550	1.514	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1cccs1	ZINC000804076149	1075337770	/nfs/dbraw/zinc/33/77/70/1075337770.db2.gz	CLHGTXSHAIRYKA-CRAIPNDOSA-N	1	1	402.520	1.837	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C1	ZINC000533003468	1075340740	/nfs/dbraw/zinc/34/07/40/1075340740.db2.gz	KEKNUOWQOYLKGO-UONOGXRCSA-N	1	1	419.448	1.637	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(COc2ccc(Cl)nc2)CC1	ZINC000804083583	1075357951	/nfs/dbraw/zinc/35/79/51/1075357951.db2.gz	CUGXIJGQASBKAO-UHFFFAOYSA-N	1	1	412.918	1.047	20	0		HDADMO
CN(OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000804083523	1075363005	/nfs/dbraw/zinc/36/30/05/1075363005.db2.gz	ANFZVCFRCDUGNB-UHFFFAOYSA-N	1	1	411.506	1.300	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[N@@H+]1Cc1ccccc1	ZINC000676099070	1075365836	/nfs/dbraw/zinc/36/58/36/1075365836.db2.gz	BQFBNACBWMZXLW-AEFFLSMTSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[N@H+]1Cc1ccccc1	ZINC000676099070	1075365841	/nfs/dbraw/zinc/36/58/41/1075365841.db2.gz	BQFBNACBWMZXLW-AEFFLSMTSA-N	1	1	404.474	1.985	20	0		HDADMO
CC[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CCc2ccccc2C1	ZINC000676089858	1075372209	/nfs/dbraw/zinc/37/22/09/1075372209.db2.gz	KAYXNDVBELNYQF-FQEVSTJZSA-N	1	1	412.538	1.336	20	0		HDADMO
COc1ccc(CN2CC[C@H](NC(=O)NCCCNc3ccc(C)c[nH+]3)C2=O)cc1	ZINC000548116789	1075374710	/nfs/dbraw/zinc/37/47/10/1075374710.db2.gz	XKIOPNMWKRLOKL-IBGZPJMESA-N	1	1	411.506	2.301	20	0		HDADMO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804087123	1075378657	/nfs/dbraw/zinc/37/86/57/1075378657.db2.gz	CZZAOLNJHBWTPR-ZACQAIPSSA-N	1	1	410.559	1.737	20	0		HDADMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804087123	1075378667	/nfs/dbraw/zinc/37/86/67/1075378667.db2.gz	CZZAOLNJHBWTPR-ZACQAIPSSA-N	1	1	410.559	1.737	20	0		HDADMO
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000429396995	1075382367	/nfs/dbraw/zinc/38/23/67/1075382367.db2.gz	YBVWIYJQWABQLJ-YAHRNXAISA-N	1	1	412.600	1.262	20	0		HDADMO
CC(C)COC(=O)N1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000731532449	1075383467	/nfs/dbraw/zinc/38/34/67/1075383467.db2.gz	ZWFLPMMNNPVWIK-GOSISDBHSA-N	1	1	418.494	1.665	20	0		HDADMO
CC(C)COC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000731532449	1075383479	/nfs/dbraw/zinc/38/34/79/1075383479.db2.gz	ZWFLPMMNNPVWIK-GOSISDBHSA-N	1	1	418.494	1.665	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000466713370	1075383646	/nfs/dbraw/zinc/38/36/46/1075383646.db2.gz	NHWVSGXGPOOAIN-GOEBONIOSA-N	1	1	421.519	1.211	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000466713370	1075383654	/nfs/dbraw/zinc/38/36/54/1075383654.db2.gz	NHWVSGXGPOOAIN-GOEBONIOSA-N	1	1	421.519	1.211	20	0		HDADMO
Cc1c(C(=O)NCCO)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2	ZINC000676110194	1075385775	/nfs/dbraw/zinc/38/57/75/1075385775.db2.gz	RSPNCUSRDLTBTC-UHFFFAOYSA-N	1	1	409.465	1.995	20	0		HDADMO
Cc1c(C(=O)NCCO)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2	ZINC000676110194	1075385783	/nfs/dbraw/zinc/38/57/83/1075385783.db2.gz	RSPNCUSRDLTBTC-UHFFFAOYSA-N	1	1	409.465	1.995	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804087985	1075387069	/nfs/dbraw/zinc/38/70/69/1075387069.db2.gz	MQYHYNOFSJYSNL-IXDOHACOSA-N	1	1	410.559	1.787	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1	ZINC000676129450	1075390046	/nfs/dbraw/zinc/39/00/46/1075390046.db2.gz	KQBUJNHLBUEWBL-QUCCMNQESA-N	1	1	400.527	1.449	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=CC[N@@H+](C)CC1	ZINC000804093110	1075393882	/nfs/dbraw/zinc/39/38/82/1075393882.db2.gz	XFCWSSIDKVPZRO-XIRDDKMYSA-N	1	1	408.543	1.705	20	0		HDADMO
CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)C2=O	ZINC000676145208	1075398095	/nfs/dbraw/zinc/39/80/95/1075398095.db2.gz	FHDARJRJEBGSSB-IIBYNOLFSA-N	1	1	406.527	1.200	20	0		HDADMO
O=Cc1ccc(OC(F)(F)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1	ZINC000731602627	1075408987	/nfs/dbraw/zinc/40/89/87/1075408987.db2.gz	HKONJUKOKHNZLO-UHFFFAOYSA-N	1	1	419.432	1.589	20	0		HDADMO
Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1	ZINC000643605684	1075411407	/nfs/dbraw/zinc/41/14/07/1075411407.db2.gz	QGOXDNMQEITSRD-FQEVSTJZSA-N	1	1	419.485	2.325	20	0		HDADMO
O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000731620479	1075416084	/nfs/dbraw/zinc/41/60/84/1075416084.db2.gz	ULVUCHIOEAQOKJ-GOSISDBHSA-N	1	1	400.454	1.699	20	0		HDADMO
O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000731620479	1075416090	/nfs/dbraw/zinc/41/60/90/1075416090.db2.gz	ULVUCHIOEAQOKJ-GOSISDBHSA-N	1	1	400.454	1.699	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H]1c1ccc(O)cc1	ZINC000676187251	1075418093	/nfs/dbraw/zinc/41/80/93/1075418093.db2.gz	ALHZTEBTNROSSK-PMACEKPBSA-N	1	1	401.507	1.769	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nn1	ZINC000551733095	1075423746	/nfs/dbraw/zinc/42/37/46/1075423746.db2.gz	RJBLQPPSFIFHGC-ROUUACIJSA-N	1	1	409.490	1.937	20	0		HDADMO
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@@H]1CCC[N@H+]1C1CCOCC1	ZINC000676208603	1075429656	/nfs/dbraw/zinc/42/96/56/1075429656.db2.gz	FUIXHQLSVWUXPS-SFHVURJKSA-N	1	1	423.535	1.759	20	0		HDADMO
CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000731651081	1075434114	/nfs/dbraw/zinc/43/41/14/1075434114.db2.gz	WBIUUNAZNLPDMG-LJQANCHMSA-N	1	1	407.580	1.524	20	0		HDADMO
NC(=O)c1csc(C[NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)c1	ZINC000676199158	1075434472	/nfs/dbraw/zinc/43/44/72/1075434472.db2.gz	NZKVWYMQMSUPJK-MRXNPFEDSA-N	1	1	403.504	1.811	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1	ZINC000731655465	1075438665	/nfs/dbraw/zinc/43/86/65/1075438665.db2.gz	NSNYYDONRLTDEH-GOSISDBHSA-N	1	1	412.534	1.197	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1	ZINC000731655181	1075439123	/nfs/dbraw/zinc/43/91/23/1075439123.db2.gz	JUEWQVBURDUJOR-LJQANCHMSA-N	1	1	418.538	1.921	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676244181	1075445872	/nfs/dbraw/zinc/44/58/72/1075445872.db2.gz	RBBGLXQKHKXJJR-KFKAGJAMSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676244181	1075445873	/nfs/dbraw/zinc/44/58/73/1075445873.db2.gz	RBBGLXQKHKXJJR-KFKAGJAMSA-N	1	1	410.946	1.732	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000541379258	1075447282	/nfs/dbraw/zinc/44/72/82/1075447282.db2.gz	DRMKLPWXIJZGIN-UHFFFAOYSA-N	1	1	404.559	1.777	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248074	1075448078	/nfs/dbraw/zinc/44/80/78/1075448078.db2.gz	MCNUBKFDPVEZMD-YZLZLFLDSA-N	1	1	418.538	1.454	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248074	1075448083	/nfs/dbraw/zinc/44/80/83/1075448083.db2.gz	MCNUBKFDPVEZMD-YZLZLFLDSA-N	1	1	418.538	1.454	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676258914	1075454292	/nfs/dbraw/zinc/45/42/92/1075454292.db2.gz	OVGKKEDMFKCDRM-VQIMIIECSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676258914	1075454295	/nfs/dbraw/zinc/45/42/95/1075454295.db2.gz	OVGKKEDMFKCDRM-VQIMIIECSA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1cc(N2C[C@H](C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2=O)ccc1Br	ZINC000676258787	1075454803	/nfs/dbraw/zinc/45/48/03/1075454803.db2.gz	DNYAJHZNVAQNMA-CPUCHLNUSA-N	1	1	424.339	1.946	20	0		HDADMO
Cc1cc(N2C[C@H](C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2=O)ccc1Br	ZINC000676258787	1075454806	/nfs/dbraw/zinc/45/48/06/1075454806.db2.gz	DNYAJHZNVAQNMA-CPUCHLNUSA-N	1	1	424.339	1.946	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676258898	1075455220	/nfs/dbraw/zinc/45/52/20/1075455220.db2.gz	OVGKKEDMFKCDRM-APWZRJJASA-N	1	1	409.552	1.231	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676258898	1075455224	/nfs/dbraw/zinc/45/52/24/1075455224.db2.gz	OVGKKEDMFKCDRM-APWZRJJASA-N	1	1	409.552	1.231	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]2C(=O)OCc2ccccc2)C1	ZINC000731669593	1075455400	/nfs/dbraw/zinc/45/54/00/1075455400.db2.gz	SMRGIGWRISQBKM-NHCUHLMSSA-N	1	1	417.550	1.667	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]2C(=O)OCc2ccccc2)C1	ZINC000731669595	1075455562	/nfs/dbraw/zinc/45/55/62/1075455562.db2.gz	SMRGIGWRISQBKM-RTWAWAEBSA-N	1	1	417.550	1.667	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676259842	1075456556	/nfs/dbraw/zinc/45/65/56/1075456556.db2.gz	QPFDCDQLZYVKDG-APWZRJJASA-N	1	1	411.568	1.485	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676259842	1075456560	/nfs/dbraw/zinc/45/65/60/1075456560.db2.gz	QPFDCDQLZYVKDG-APWZRJJASA-N	1	1	411.568	1.485	20	0		HDADMO
C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@H]1C[N@H+](C)CCO1	ZINC000676259711	1075456575	/nfs/dbraw/zinc/45/65/75/1075456575.db2.gz	PDZZDBXBVMTERI-MLGOLLRUSA-N	1	1	406.483	1.912	20	0		HDADMO
C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259711	1075456579	/nfs/dbraw/zinc/45/65/79/1075456579.db2.gz	PDZZDBXBVMTERI-MLGOLLRUSA-N	1	1	406.483	1.912	20	0		HDADMO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676260880	1075458083	/nfs/dbraw/zinc/45/80/83/1075458083.db2.gz	LMVNNVJPXDPKFI-RDTXWAMCSA-N	1	1	406.483	1.008	20	0		HDADMO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676260880	1075458089	/nfs/dbraw/zinc/45/80/89/1075458089.db2.gz	LMVNNVJPXDPKFI-RDTXWAMCSA-N	1	1	406.483	1.008	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@H]1C[N@H+](C)CCO1	ZINC000676260475	1075458745	/nfs/dbraw/zinc/45/87/45/1075458745.db2.gz	KGGLPKVONFICJM-IIBYNOLFSA-N	1	1	421.497	1.974	20	0		HDADMO
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676260475	1075458747	/nfs/dbraw/zinc/45/87/47/1075458747.db2.gz	KGGLPKVONFICJM-IIBYNOLFSA-N	1	1	421.497	1.974	20	0		HDADMO
C[N@@H+](CCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)Cc1ccccc1	ZINC000731680162	1075462408	/nfs/dbraw/zinc/46/24/08/1075462408.db2.gz	AKNNREFIUCMNMT-UHFFFAOYSA-N	1	1	410.584	1.317	20	0		HDADMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731682472	1075464580	/nfs/dbraw/zinc/46/45/80/1075464580.db2.gz	SNLVDJIITDDAHQ-QGZVFWFLSA-N	1	1	402.605	1.307	20	0		HDADMO
Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1C	ZINC000676249021	1075465411	/nfs/dbraw/zinc/46/54/11/1075465411.db2.gz	ZSFGAOXFLTUFHM-AZUAARDMSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1C	ZINC000676249021	1075465414	/nfs/dbraw/zinc/46/54/14/1075465414.db2.gz	ZSFGAOXFLTUFHM-AZUAARDMSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676249829	1075467402	/nfs/dbraw/zinc/46/74/02/1075467402.db2.gz	CMMSVTJQWOGWJF-YLJYHZDGSA-N	1	1	402.539	1.752	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676249829	1075467407	/nfs/dbraw/zinc/46/74/07/1075467407.db2.gz	CMMSVTJQWOGWJF-YLJYHZDGSA-N	1	1	402.539	1.752	20	0		HDADMO
COc1cccc(OC)c1OC1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676249443	1075467470	/nfs/dbraw/zinc/46/74/70/1075467470.db2.gz	AJQCOPNYHUGPFD-DNVCBOLYSA-N	1	1	407.511	1.976	20	0		HDADMO
COc1cccc(OC)c1OC1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676249443	1075467475	/nfs/dbraw/zinc/46/74/75/1075467475.db2.gz	AJQCOPNYHUGPFD-DNVCBOLYSA-N	1	1	407.511	1.976	20	0		HDADMO
Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676249582	1075467544	/nfs/dbraw/zinc/46/75/44/1075467544.db2.gz	HWEWVXHCJZJFAD-DOMZBBRYSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676249582	1075467551	/nfs/dbraw/zinc/46/75/51/1075467551.db2.gz	HWEWVXHCJZJFAD-DOMZBBRYSA-N	1	1	413.316	1.714	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251556	1075469001	/nfs/dbraw/zinc/46/90/01/1075469001.db2.gz	QHYFHYHKGMGDBE-DOMZBBRYSA-N	1	1	402.326	1.939	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251556	1075469005	/nfs/dbraw/zinc/46/90/05/1075469005.db2.gz	QHYFHYHKGMGDBE-DOMZBBRYSA-N	1	1	402.326	1.939	20	0		HDADMO
COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676251466	1075469110	/nfs/dbraw/zinc/46/91/10/1075469110.db2.gz	NAPIYNQGRBVTEP-HNAYVOBHSA-N	1	1	410.946	1.895	20	0		HDADMO
COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676251466	1075469112	/nfs/dbraw/zinc/46/91/12/1075469112.db2.gz	NAPIYNQGRBVTEP-HNAYVOBHSA-N	1	1	410.946	1.895	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676253999	1075471159	/nfs/dbraw/zinc/47/11/59/1075471159.db2.gz	CJKRGEDXXTYLMV-MAUKXSAKSA-N	1	1	410.540	1.702	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676253999	1075471165	/nfs/dbraw/zinc/47/11/65/1075471165.db2.gz	CJKRGEDXXTYLMV-MAUKXSAKSA-N	1	1	410.540	1.702	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676254823	1075472518	/nfs/dbraw/zinc/47/25/18/1075472518.db2.gz	MNKLADDIKUDJBJ-YJBOKZPZSA-N	1	1	412.556	1.948	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676254823	1075472522	/nfs/dbraw/zinc/47/25/22/1075472522.db2.gz	MNKLADDIKUDJBJ-YJBOKZPZSA-N	1	1	412.556	1.948	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000804220635	1075472858	/nfs/dbraw/zinc/47/28/58/1075472858.db2.gz	GPXFGNSHGFMOBM-ZACQAIPSSA-N	1	1	410.559	1.833	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278176	1075476176	/nfs/dbraw/zinc/47/61/76/1075476176.db2.gz	FLILHPOJEYIEQS-KXBFYZLASA-N	1	1	411.506	1.660	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278176	1075476181	/nfs/dbraw/zinc/47/61/81/1075476181.db2.gz	FLILHPOJEYIEQS-KXBFYZLASA-N	1	1	411.506	1.660	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676277742	1075476938	/nfs/dbraw/zinc/47/69/38/1075476938.db2.gz	AHKANRNSGUXLIN-XJKSGUPXSA-N	1	1	416.503	1.774	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277742	1075476944	/nfs/dbraw/zinc/47/69/44/1075476944.db2.gz	AHKANRNSGUXLIN-XJKSGUPXSA-N	1	1	416.503	1.774	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676277873	1075477477	/nfs/dbraw/zinc/47/74/77/1075477477.db2.gz	CCAFELUCWVNUEJ-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277873	1075477482	/nfs/dbraw/zinc/47/74/82/1075477482.db2.gz	CCAFELUCWVNUEJ-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)c2)n1	ZINC000676277844	1075477631	/nfs/dbraw/zinc/47/76/31/1075477631.db2.gz	BWEFINDAIXBLTD-CXAGYDPISA-N	1	1	413.478	1.185	20	0		HDADMO
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c2)n1	ZINC000676277844	1075477633	/nfs/dbraw/zinc/47/76/33/1075477633.db2.gz	BWEFINDAIXBLTD-CXAGYDPISA-N	1	1	413.478	1.185	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277651	1075478073	/nfs/dbraw/zinc/47/80/73/1075478073.db2.gz	BUMCZSNQKKDZNJ-UZLBHIALSA-N	1	1	424.501	1.390	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277651	1075478078	/nfs/dbraw/zinc/47/80/78/1075478078.db2.gz	BUMCZSNQKKDZNJ-UZLBHIALSA-N	1	1	424.501	1.390	20	0		HDADMO
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c2)n1	ZINC000676278946	1075479193	/nfs/dbraw/zinc/47/91/93/1075479193.db2.gz	KVAJCECBDUVCCL-CJNGLKHVSA-N	1	1	401.467	1.381	20	0		HDADMO
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c2)n1	ZINC000676278946	1075479196	/nfs/dbraw/zinc/47/91/96/1075479196.db2.gz	KVAJCECBDUVCCL-CJNGLKHVSA-N	1	1	401.467	1.381	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676278787	1075479898	/nfs/dbraw/zinc/47/98/98/1075479898.db2.gz	JZCHYZJZPYCLHI-HNAYVOBHSA-N	1	1	401.463	1.770	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278787	1075479901	/nfs/dbraw/zinc/47/99/01/1075479901.db2.gz	JZCHYZJZPYCLHI-HNAYVOBHSA-N	1	1	401.463	1.770	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676278858	1075480402	/nfs/dbraw/zinc/48/04/02/1075480402.db2.gz	LIQSFWIFWBZULV-CXAGYDPISA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278858	1075480407	/nfs/dbraw/zinc/48/04/07/1075480407.db2.gz	LIQSFWIFWBZULV-CXAGYDPISA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676278353	1075480980	/nfs/dbraw/zinc/48/09/80/1075480980.db2.gz	GKMVXDNILTVVAI-CRAIPNDOSA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278353	1075480982	/nfs/dbraw/zinc/48/09/82/1075480982.db2.gz	GKMVXDNILTVVAI-CRAIPNDOSA-N	1	1	402.495	1.087	20	0		HDADMO
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676279707	1075483303	/nfs/dbraw/zinc/48/33/03/1075483303.db2.gz	QIPWSWRYAHZCAO-YOEHRIQHSA-N	1	1	404.511	1.753	20	0		HDADMO
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279707	1075483307	/nfs/dbraw/zinc/48/33/07/1075483307.db2.gz	QIPWSWRYAHZCAO-YOEHRIQHSA-N	1	1	404.511	1.753	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281156	1075485146	/nfs/dbraw/zinc/48/51/46/1075485146.db2.gz	XNGPAFUVVUZHJK-GUYCJALGSA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281156	1075485150	/nfs/dbraw/zinc/48/51/50/1075485150.db2.gz	XNGPAFUVVUZHJK-GUYCJALGSA-N	1	1	422.913	1.350	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OCC1CCOCC1	ZINC000676280743	1075486008	/nfs/dbraw/zinc/48/60/08/1075486008.db2.gz	WEIVYUDBRWCCMI-UZLBHIALSA-N	1	1	419.522	1.574	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OCC1CCOCC1	ZINC000676280743	1075486011	/nfs/dbraw/zinc/48/60/11/1075486011.db2.gz	WEIVYUDBRWCCMI-UZLBHIALSA-N	1	1	419.522	1.574	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(OC[C@H]2CCCO2)c1	ZINC000676280352	1075487313	/nfs/dbraw/zinc/48/73/13/1075487313.db2.gz	RYTJZWNZNVSCIK-GPMSIDNRSA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(OC[C@H]2CCCO2)c1	ZINC000676280352	1075487316	/nfs/dbraw/zinc/48/73/16/1075487316.db2.gz	RYTJZWNZNVSCIK-GPMSIDNRSA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676282062	1075487828	/nfs/dbraw/zinc/48/78/28/1075487828.db2.gz	QSCFNIACZOJMGA-DNVCBOLYSA-N	1	1	416.522	1.441	20	0		HDADMO
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676282062	1075487833	/nfs/dbraw/zinc/48/78/33/1075487833.db2.gz	QSCFNIACZOJMGA-DNVCBOLYSA-N	1	1	416.522	1.441	20	0		HDADMO
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676281555	1075488836	/nfs/dbraw/zinc/48/88/36/1075488836.db2.gz	NPUZHMLSIGKCHH-IAQYHMDHSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676281555	1075488839	/nfs/dbraw/zinc/48/88/39/1075488839.db2.gz	NPUZHMLSIGKCHH-IAQYHMDHSA-N	1	1	403.401	1.878	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C	ZINC000438782579	1075489116	/nfs/dbraw/zinc/48/91/16/1075489116.db2.gz	NVPJKZWXMYPMPL-DZJNRPSUSA-N	1	1	405.543	2.201	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C	ZINC000438782579	1075489120	/nfs/dbraw/zinc/48/91/20/1075489120.db2.gz	NVPJKZWXMYPMPL-DZJNRPSUSA-N	1	1	405.543	2.201	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CN(C)CCO1	ZINC000676281287	1075489203	/nfs/dbraw/zinc/48/92/03/1075489203.db2.gz	VQLLIKVQWKTJGD-UWVAXJGDSA-N	1	1	402.539	1.692	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1C	ZINC000537285340	1075490729	/nfs/dbraw/zinc/49/07/29/1075490729.db2.gz	OEFOIHBZPJREIZ-IPELMVKDSA-N	1	1	413.522	1.853	20	0		HDADMO
COc1cccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676288926	1075492776	/nfs/dbraw/zinc/49/27/76/1075492776.db2.gz	BGESACNFHKWMKV-CXAGYDPISA-N	1	1	405.524	1.512	20	0		HDADMO
COc1cccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676288926	1075492779	/nfs/dbraw/zinc/49/27/79/1075492779.db2.gz	BGESACNFHKWMKV-CXAGYDPISA-N	1	1	405.524	1.512	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@H]1CN(C)CCO1	ZINC000676307445	1075493204	/nfs/dbraw/zinc/49/32/04/1075493204.db2.gz	PLJXRZFGZPFRJY-TZIWHRDSSA-N	1	1	403.571	1.165	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1	ZINC000676307493	1075493223	/nfs/dbraw/zinc/49/32/23/1075493223.db2.gz	ZGMWCUJWGUAJEI-RRFJBIMHSA-N	1	1	408.465	1.538	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1	ZINC000676307493	1075493224	/nfs/dbraw/zinc/49/32/24/1075493224.db2.gz	ZGMWCUJWGUAJEI-RRFJBIMHSA-N	1	1	408.465	1.538	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1	ZINC000676297260	1075500022	/nfs/dbraw/zinc/50/00/22/1075500022.db2.gz	YXKMVGMODCQHQP-QFBILLFUSA-N	1	1	407.584	1.546	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1	ZINC000676297259	1075500075	/nfs/dbraw/zinc/50/00/75/1075500075.db2.gz	YXKMVGMODCQHQP-LPHOPBHVSA-N	1	1	407.584	1.546	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1	ZINC000731765838	1075501332	/nfs/dbraw/zinc/50/13/32/1075501332.db2.gz	OJOQXYOTDVRFCV-QGZVFWFLSA-N	1	1	404.430	1.436	20	0		HDADMO
CC[C@H](c1nnc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s1)c1ccccc1	ZINC000438020681	1075502789	/nfs/dbraw/zinc/50/27/89/1075502789.db2.gz	FPPJKPDJLZETAM-OXJNMPFZSA-N	1	1	419.551	2.285	20	0		HDADMO
Brc1ccc(N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)nc1	ZINC000676306566	1075504291	/nfs/dbraw/zinc/50/42/91/1075504291.db2.gz	MEFRXMXMHZMYKB-UHFFFAOYSA-N	1	1	405.300	1.797	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676306583	1075504739	/nfs/dbraw/zinc/50/47/39/1075504739.db2.gz	LRHRGKZMNPKFGP-CJNGLKHVSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306583	1075504745	/nfs/dbraw/zinc/50/47/45/1075504745.db2.gz	LRHRGKZMNPKFGP-CJNGLKHVSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676307913	1075505145	/nfs/dbraw/zinc/50/51/45/1075505145.db2.gz	SWKFZCPVBDFNHI-CRAIPNDOSA-N	1	1	420.945	1.534	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676307913	1075505150	/nfs/dbraw/zinc/50/51/50/1075505150.db2.gz	SWKFZCPVBDFNHI-CRAIPNDOSA-N	1	1	420.945	1.534	20	0		HDADMO
CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1	ZINC000566753002	1075505592	/nfs/dbraw/zinc/50/55/92/1075505592.db2.gz	GDPJJMQBMGCINZ-AWEZNQCLSA-N	1	1	409.412	2.382	20	0		HDADMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1	ZINC000566753002	1075505596	/nfs/dbraw/zinc/50/55/96/1075505596.db2.gz	GDPJJMQBMGCINZ-AWEZNQCLSA-N	1	1	409.412	2.382	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000676316911	1075505925	/nfs/dbraw/zinc/50/59/25/1075505925.db2.gz	IBMOGESVMOLUCC-FUHWJXTLSA-N	1	1	424.567	1.107	20	0		HDADMO
O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1	ZINC000676317118	1075506005	/nfs/dbraw/zinc/50/60/05/1075506005.db2.gz	WVFYMPSVVBXIED-HNNXBMFYSA-N	1	1	424.427	1.631	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000676316913	1075506141	/nfs/dbraw/zinc/50/61/41/1075506141.db2.gz	IBMOGESVMOLUCC-WMZOPIPTSA-N	1	1	424.567	1.107	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676334486	1075510410	/nfs/dbraw/zinc/51/04/10/1075510410.db2.gz	XKRITRKXUDPXDX-QFBILLFUSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676334486	1075510416	/nfs/dbraw/zinc/51/04/16/1075510416.db2.gz	XKRITRKXUDPXDX-QFBILLFUSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676334580	1075510593	/nfs/dbraw/zinc/51/05/93/1075510593.db2.gz	ZWZMNPQVZDGXTF-PXNSSMCTSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676334580	1075510598	/nfs/dbraw/zinc/51/05/98/1075510598.db2.gz	ZWZMNPQVZDGXTF-PXNSSMCTSA-N	1	1	403.523	1.529	20	0		HDADMO
Cc1c(C(=O)N2CCN([C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676341850	1075514718	/nfs/dbraw/zinc/51/47/18/1075514718.db2.gz	VZEMAAOGJLVPRK-SFHVURJKSA-N	1	1	410.522	1.110	20	0		HDADMO
Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](CC(C)C)C(=O)Nc3cc[nH]n3)CC2)cs1	ZINC000438369891	1075515759	/nfs/dbraw/zinc/51/57/59/1075515759.db2.gz	HYYCMQVABVVCHR-KRWDZBQOSA-N	1	1	418.567	2.556	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1	ZINC000731761867	1075516829	/nfs/dbraw/zinc/51/68/29/1075516829.db2.gz	KVSVWIHYPGBNJR-NRFANRHFSA-N	1	1	402.539	1.694	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1	ZINC000731764109	1075517869	/nfs/dbraw/zinc/51/78/69/1075517869.db2.gz	LACUTXDQCFGEMU-UHFFFAOYSA-N	1	1	421.523	1.049	20	0		HDADMO
Cc1nc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nn1C	ZINC000550775180	1075521378	/nfs/dbraw/zinc/52/13/78/1075521378.db2.gz	JQCUKUSOCRMKED-INIZCTEOSA-N	1	1	404.902	1.886	20	0		HDADMO
Cc1nc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nn1C	ZINC000550775180	1075521382	/nfs/dbraw/zinc/52/13/82/1075521382.db2.gz	JQCUKUSOCRMKED-INIZCTEOSA-N	1	1	404.902	1.886	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1	ZINC000731826611	1075524987	/nfs/dbraw/zinc/52/49/87/1075524987.db2.gz	GGOQLYSIVLQXAC-AWEZNQCLSA-N	1	1	415.943	1.263	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000676353771	1075529814	/nfs/dbraw/zinc/52/98/14/1075529814.db2.gz	JRUKOWZDLOVBLR-OAHLLOKOSA-N	1	1	401.467	1.139	20	0		HDADMO
C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731846328	1075530295	/nfs/dbraw/zinc/53/02/95/1075530295.db2.gz	FGDGYEMZLWTMLI-AWEZNQCLSA-N	1	1	421.567	1.050	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1	ZINC000676359269	1075532171	/nfs/dbraw/zinc/53/21/71/1075532171.db2.gz	AVSHWPFNXJGHKU-UHFFFAOYSA-N	1	1	409.494	1.685	20	0		HDADMO
C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1	ZINC000731852314	1075534289	/nfs/dbraw/zinc/53/42/89/1075534289.db2.gz	NRIDFZIYLYTZMY-DZGCQCFKSA-N	1	1	415.943	1.479	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000676386595	1075534321	/nfs/dbraw/zinc/53/43/21/1075534321.db2.gz	LEGCTFYXWQNOSE-CVEARBPZSA-N	1	1	400.479	1.177	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNc3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)cs1	ZINC000599948391	1075537716	/nfs/dbraw/zinc/53/77/16/1075537716.db2.gz	KMKNEGKNELVBEM-UHFFFAOYSA-N	1	1	417.539	1.716	20	0		HDADMO
CS(=O)(=O)c1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)cc1Cl	ZINC000429432834	1075541760	/nfs/dbraw/zinc/54/17/60/1075541760.db2.gz	OTDCWLNXNHTZRI-UHFFFAOYSA-N	1	1	415.987	1.630	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)nn2)cc1	ZINC000551740918	1075542293	/nfs/dbraw/zinc/54/22/93/1075542293.db2.gz	YAMUOLJYWQFQKL-CQSZACIVSA-N	1	1	408.462	2.574	20	0		HDADMO
O=C(Cn1cc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cn1)NC1CCCC1	ZINC000676424192	1075545687	/nfs/dbraw/zinc/54/56/87/1075545687.db2.gz	RYNRUPIISADIDU-LJQANCHMSA-N	1	1	403.527	1.269	20	0		HDADMO
CN(C)C(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000731842441	1075546635	/nfs/dbraw/zinc/54/66/35/1075546635.db2.gz	JNFRZPOONKHKIP-GOSISDBHSA-N	1	1	402.495	1.040	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1Br	ZINC000731879653	1075550477	/nfs/dbraw/zinc/55/04/77/1075550477.db2.gz	UETIJSPITPOEKI-LLVKDONJSA-N	1	1	404.330	1.381	20	0		HDADMO
O=C(N1CCO[C@H](c2nn[nH]n2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000731880614	1075550719	/nfs/dbraw/zinc/55/07/19/1075550719.db2.gz	RMHLLDAYRGCYDS-WMLDXEAASA-N	1	1	410.400	1.554	20	0		HDADMO
O=C(N1CCO[C@H](c2nn[nH]n2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000731880614	1075550727	/nfs/dbraw/zinc/55/07/27/1075550727.db2.gz	RMHLLDAYRGCYDS-WMLDXEAASA-N	1	1	410.400	1.554	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1	ZINC000731884835	1075555235	/nfs/dbraw/zinc/55/52/35/1075555235.db2.gz	HAYKYEJYDFKJFF-UHFFFAOYSA-N	1	1	402.568	1.638	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1	ZINC000676451985	1075557515	/nfs/dbraw/zinc/55/75/15/1075557515.db2.gz	LMVAOPPRUBCOHN-UXHICEINSA-N	1	1	424.549	1.787	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676451985	1075557519	/nfs/dbraw/zinc/55/75/19/1075557519.db2.gz	LMVAOPPRUBCOHN-UXHICEINSA-N	1	1	424.549	1.787	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1	ZINC000676452520	1075558693	/nfs/dbraw/zinc/55/86/93/1075558693.db2.gz	CKDIZXVNIMWXEF-PZJWPPBQSA-N	1	1	420.513	1.962	20	0		HDADMO
CCn1c2ccc(NC(=O)CCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)nc2n(CC)c1=O	ZINC000580265121	1075558892	/nfs/dbraw/zinc/55/88/92/1075558892.db2.gz	DCQPIUAZJDRFOV-HNNXBMFYSA-N	1	1	418.542	1.801	20	0		HDADMO
CCn1c2ccc(NC(=O)CCC(=O)N[C@H](C)C[N@@H+](C)C(C)C)nc2n(CC)c1=O	ZINC000461023458	1075559555	/nfs/dbraw/zinc/55/95/55/1075559555.db2.gz	DCQPIUAZJDRFOV-OAHLLOKOSA-N	1	1	418.542	1.801	20	0		HDADMO
CCc1ccc([C@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000804157668	1075562584	/nfs/dbraw/zinc/56/25/84/1075562584.db2.gz	ZDBKRZHWMGBJMB-UXHICEINSA-N	1	1	403.523	1.112	20	0		HDADMO
CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676478926	1075565824	/nfs/dbraw/zinc/56/58/24/1075565824.db2.gz	NVFVRNFCMRLAES-KRWDZBQOSA-N	1	1	419.551	1.987	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)O[C@@H](C)C2	ZINC000676503281	1075570711	/nfs/dbraw/zinc/57/07/11/1075570711.db2.gz	YJKCKZAJSBTCLT-QFBILLFUSA-N	1	1	418.538	1.224	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1	ZINC000731919364	1075571239	/nfs/dbraw/zinc/57/12/39/1075571239.db2.gz	OKMIZLAPSGKMDD-UHFFFAOYSA-N	1	1	417.462	1.554	20	0		HDADMO
C[C@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1	ZINC000731942129	1075572314	/nfs/dbraw/zinc/57/23/14/1075572314.db2.gz	IEOVBWNTGMWVEJ-OAHLLOKOSA-N	1	1	406.577	1.819	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000676507704	1075572544	/nfs/dbraw/zinc/57/25/44/1075572544.db2.gz	ZMDCNDSYCRDJEN-QUCCMNQESA-N	1	1	405.564	1.867	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1nc2ccccc2s1	ZINC000804165802	1075572927	/nfs/dbraw/zinc/57/29/27/1075572927.db2.gz	FCACEIPFVIEGRA-OAHLLOKOSA-N	1	1	417.579	1.958	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1nc2ccccc2s1	ZINC000804165802	1075572931	/nfs/dbraw/zinc/57/29/31/1075572931.db2.gz	FCACEIPFVIEGRA-OAHLLOKOSA-N	1	1	417.579	1.958	20	0		HDADMO
CCn1nc(NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C1CC1	ZINC000584708152	1075573414	/nfs/dbraw/zinc/57/34/14/1075573414.db2.gz	MXOLQXVWRBTCML-UHFFFAOYSA-N	1	1	424.505	1.745	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=S)NCCCN3CCOCC3)CC2)oc1C	ZINC000731954104	1075573997	/nfs/dbraw/zinc/57/39/97/1075573997.db2.gz	GUURHKJXXUPMFH-UHFFFAOYSA-N	1	1	409.600	1.690	20	0		HDADMO
COc1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F	ZINC000731961337	1075577020	/nfs/dbraw/zinc/57/70/20/1075577020.db2.gz	JEYLLSLMUDVLHX-LJQANCHMSA-N	1	1	407.486	1.506	20	0		HDADMO
CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1OC	ZINC000731971278	1075579976	/nfs/dbraw/zinc/57/99/76/1075579976.db2.gz	PJDILCSNNGJXKY-UYAOXDASSA-N	1	1	403.523	1.976	20	0		HDADMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C[C@H](C)O1	ZINC000676544131	1075581789	/nfs/dbraw/zinc/58/17/89/1075581789.db2.gz	LKSZLJYJDTZKMX-HOTGVXAUSA-N	1	1	414.510	1.269	20	0		HDADMO
CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000676550536	1075583132	/nfs/dbraw/zinc/58/31/32/1075583132.db2.gz	KVCSWCONTDUMKP-QZTJIDSGSA-N	1	1	404.559	1.667	20	0		HDADMO
CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000676550538	1075583145	/nfs/dbraw/zinc/58/31/45/1075583145.db2.gz	KVCSWCONTDUMKP-ZWKOTPCHSA-N	1	1	404.559	1.667	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1	ZINC000804167602	1075587243	/nfs/dbraw/zinc/58/72/43/1075587243.db2.gz	QGFXMDZOUDCBRC-CABCVRRESA-N	1	1	415.563	1.758	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1	ZINC000804167602	1075587247	/nfs/dbraw/zinc/58/72/47/1075587247.db2.gz	QGFXMDZOUDCBRC-CABCVRRESA-N	1	1	415.563	1.758	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000676555946	1075588867	/nfs/dbraw/zinc/58/88/67/1075588867.db2.gz	LPMTZGQVLWZDME-ZYSHUDEJSA-N	1	1	401.511	1.476	20	0		HDADMO
C[N@@H+](CCCNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)Cc1ccccc1	ZINC000676545451	1075590563	/nfs/dbraw/zinc/59/05/63/1075590563.db2.gz	RECYECNYXXTRQE-UHFFFAOYSA-N	1	1	406.490	1.903	20	0		HDADMO
Cc1ccccc1CN1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1	ZINC000676546597	1075593823	/nfs/dbraw/zinc/59/38/23/1075593823.db2.gz	JGXJXEUJTZHNSR-UHFFFAOYSA-N	1	1	412.538	1.426	20	0		HDADMO
COCc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1	ZINC000509422748	1075597762	/nfs/dbraw/zinc/59/77/62/1075597762.db2.gz	WESNRMBWSXAZSI-SFHVURJKSA-N	1	1	411.568	1.632	20	0		HDADMO
C[N@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1	ZINC000732060682	1075597958	/nfs/dbraw/zinc/59/79/58/1075597958.db2.gz	ODGAAQQWSPYZJF-ZDUSSCGKSA-N	1	1	401.916	1.042	20	0		HDADMO
CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC000732060867	1075598002	/nfs/dbraw/zinc/59/80/02/1075598002.db2.gz	VQLVIAZTXZUGAV-CPZOXXFISA-N	1	1	411.593	1.766	20	0		HDADMO
C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)[C@H]2CCCOC2)CC1	ZINC000543679180	1075599861	/nfs/dbraw/zinc/59/98/61/1075599861.db2.gz	ARDGUBKZZUATGP-PKOBYXMFSA-N	1	1	407.536	1.091	20	0		HDADMO
Cc1ccc(N2CCC(C(=O)NCCNS(=O)(=O)c3cccs3)CC2)[nH+]c1	ZINC000676576335	1075600679	/nfs/dbraw/zinc/60/06/79/1075600679.db2.gz	NRFCGQXYXBMCLO-UHFFFAOYSA-N	1	1	408.549	1.763	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1nc2ccccc2s1	ZINC000804173024	1075602619	/nfs/dbraw/zinc/60/26/19/1075602619.db2.gz	XUQJTLBYRIRTES-KGLIPLIRSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1nc2ccccc2s1	ZINC000804173024	1075602621	/nfs/dbraw/zinc/60/26/21/1075602621.db2.gz	XUQJTLBYRIRTES-KGLIPLIRSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)C1	ZINC000475831863	1075603689	/nfs/dbraw/zinc/60/36/89/1075603689.db2.gz	LPDJVKQTGPCPHD-MRXNPFEDSA-N	1	1	413.526	1.920	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000804221657	1075607148	/nfs/dbraw/zinc/60/71/48/1075607148.db2.gz	QNUHOGCPBRAXAZ-UHFFFAOYSA-N	1	1	402.495	1.068	20	0		HDADMO
CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)OC(C)(C)C	ZINC000804179227	1075609976	/nfs/dbraw/zinc/60/99/76/1075609976.db2.gz	ASJORJGRGLHDKY-DLBZAZTESA-N	1	1	404.511	1.531	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)OCC(F)(F)F)CC2)CC1	ZINC000732096364	1075610846	/nfs/dbraw/zinc/61/08/46/1075610846.db2.gz	JUVHEGALYIPYIV-UHFFFAOYSA-N	1	1	422.448	1.068	20	0		HDADMO
Cn1ccc(NC(=O)Cc2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)n1	ZINC000584020184	1075612544	/nfs/dbraw/zinc/61/25/44/1075612544.db2.gz	PTPCNYUJERTJAE-UHFFFAOYSA-N	1	1	400.349	2.170	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3(OC)CCOCC3)CC2)CC1	ZINC000676614156	1075616186	/nfs/dbraw/zinc/61/61/86/1075616186.db2.gz	YCAPNZRZEOMIDH-UHFFFAOYSA-N	1	1	410.559	1.158	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1	ZINC000676623150	1075622080	/nfs/dbraw/zinc/62/20/80/1075622080.db2.gz	STVRUJAAYLIRJZ-CALCHBBNSA-N	1	1	419.522	1.546	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1	ZINC000676623150	1075622083	/nfs/dbraw/zinc/62/20/83/1075622083.db2.gz	STVRUJAAYLIRJZ-CALCHBBNSA-N	1	1	419.522	1.546	20	0		HDADMO
C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000676634310	1075626136	/nfs/dbraw/zinc/62/61/36/1075626136.db2.gz	XVKQHIHJSLLYHS-HXUWFJFHSA-N	1	1	422.485	1.888	20	0		HDADMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C	ZINC000676635895	1075627326	/nfs/dbraw/zinc/62/73/26/1075627326.db2.gz	MQLOQPMJPIDWPZ-UHFFFAOYSA-N	1	1	418.457	1.365	20	0		HDADMO
CC[NH+]1CCN(c2ccc(C(=O)N3CCN(c4nc(N)ns4)CC3)cc2F)CC1	ZINC000467845487	1075627648	/nfs/dbraw/zinc/62/76/48/1075627648.db2.gz	CEAVRLVIPFHSBR-UHFFFAOYSA-N	1	1	419.530	1.364	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1	ZINC000732121153	1075629605	/nfs/dbraw/zinc/62/96/05/1075629605.db2.gz	DNCKOUBBHKMZMU-LJQANCHMSA-N	1	1	402.495	1.365	20	0		HDADMO
C[C@@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[N@@H+](C)Cc1ccccc1	ZINC000732133989	1075632728	/nfs/dbraw/zinc/63/27/28/1075632728.db2.gz	KMHRPTWFTOPGAK-HNNXBMFYSA-N	1	1	401.488	1.468	20	0		HDADMO
COC1(C(=O)N(C)CCC[NH+]2CCN(C)CC2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000732114411	1075636220	/nfs/dbraw/zinc/63/62/20/1075636220.db2.gz	LCSQXIURECYAEE-UHFFFAOYSA-N	1	1	412.575	1.498	20	0		HDADMO
CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732165072	1075643798	/nfs/dbraw/zinc/64/37/98/1075643798.db2.gz	CJSHPKPHJQXDFS-LLVKDONJSA-N	1	1	402.314	1.405	20	0		HDADMO
CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732167004	1075644191	/nfs/dbraw/zinc/64/41/91/1075644191.db2.gz	UMOCOKGNYBAUHK-MSOLQXFVSA-N	1	1	402.495	1.242	20	0		HDADMO
CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000676680826	1075646885	/nfs/dbraw/zinc/64/68/85/1075646885.db2.gz	HXCXYRPDSMWWFP-WBAXXEDZSA-N	1	1	401.511	1.437	20	0		HDADMO
CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000676680826	1075646888	/nfs/dbraw/zinc/64/68/88/1075646888.db2.gz	HXCXYRPDSMWWFP-WBAXXEDZSA-N	1	1	401.511	1.437	20	0		HDADMO
CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCc3nc(N)no3)c2c1C	ZINC000462113003	1075648184	/nfs/dbraw/zinc/64/81/84/1075648184.db2.gz	QSSPHAKHBWJHNP-UHFFFAOYSA-N	1	1	405.484	1.858	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1	ZINC000732149242	1075649823	/nfs/dbraw/zinc/64/98/23/1075649823.db2.gz	FGOCKUMHQSFJIX-HNMKQIAWSA-N	1	1	423.546	1.762	20	0		HDADMO
C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1	ZINC000676702063	1075651930	/nfs/dbraw/zinc/65/19/30/1075651930.db2.gz	PKWCJUQNEWZAIU-GGAORHGYSA-N	1	1	413.610	1.604	20	0		HDADMO
C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1	ZINC000676702065	1075652142	/nfs/dbraw/zinc/65/21/42/1075652142.db2.gz	PKWCJUQNEWZAIU-GMAHTHKFSA-N	1	1	413.610	1.604	20	0		HDADMO
CN(CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732188502	1075654545	/nfs/dbraw/zinc/65/45/45/1075654545.db2.gz	JWBWDQDNEYVGCZ-HTAPYJJXSA-N	1	1	414.506	1.784	20	0		HDADMO
NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1Br	ZINC000676708298	1075656156	/nfs/dbraw/zinc/65/61/56/1075656156.db2.gz	ZJODLQNEENQTHF-GFCCVEGCSA-N	1	1	402.314	1.311	20	0		HDADMO
C[C@H]1COCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000676712730	1075657833	/nfs/dbraw/zinc/65/78/33/1075657833.db2.gz	KOKAGAJWLHKQJA-KRWDZBQOSA-N	1	1	421.563	1.119	20	0		HDADMO
CC(C)[N@@H+](Cc1nc(N)c2ccccc2n1)C[C@H](O)COc1ccc(CC(N)=O)cc1	ZINC000542134575	1075659324	/nfs/dbraw/zinc/65/93/24/1075659324.db2.gz	LBIUFGYOENQIFQ-KRWDZBQOSA-N	1	1	423.517	1.890	20	0		HDADMO
CC(C)[N@H+](Cc1nc(N)c2ccccc2n1)C[C@H](O)COc1ccc(CC(N)=O)cc1	ZINC000542134575	1075659328	/nfs/dbraw/zinc/65/93/28/1075659328.db2.gz	LBIUFGYOENQIFQ-KRWDZBQOSA-N	1	1	423.517	1.890	20	0		HDADMO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676723345	1075659964	/nfs/dbraw/zinc/65/99/64/1075659964.db2.gz	IRQCLTCMQVQOKF-CEXWTWQISA-N	1	1	414.550	1.434	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(Cc2ccncc2)n1	ZINC000429459330	1075664633	/nfs/dbraw/zinc/66/46/33/1075664633.db2.gz	XONXOANPLRRXLZ-HSZRJFAPSA-N	1	1	420.517	2.427	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000732207586	1075665038	/nfs/dbraw/zinc/66/50/38/1075665038.db2.gz	XEVLRZKXTVVLHQ-CRAIPNDOSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1C(C[N@H+]2CCC[C@@H](C(=O)NC)C2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000732207586	1075665041	/nfs/dbraw/zinc/66/50/41/1075665041.db2.gz	XEVLRZKXTVVLHQ-CRAIPNDOSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000732207586	1075665042	/nfs/dbraw/zinc/66/50/42/1075665042.db2.gz	XEVLRZKXTVVLHQ-CRAIPNDOSA-N	1	1	400.479	1.316	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)NC)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000732207586	1075665043	/nfs/dbraw/zinc/66/50/43/1075665043.db2.gz	XEVLRZKXTVVLHQ-CRAIPNDOSA-N	1	1	400.479	1.316	20	0		HDADMO
NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1	ZINC000732210138	1075667638	/nfs/dbraw/zinc/66/76/38/1075667638.db2.gz	DFSMRGPRAFOLLE-INIZCTEOSA-N	1	1	408.524	1.140	20	0		HDADMO
NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732213229	1075669539	/nfs/dbraw/zinc/66/95/39/1075669539.db2.gz	RZJROUALJVDRLA-IBGZPJMESA-N	1	1	400.523	1.368	20	0		HDADMO
CC(C)N1CC[C@H]([N@@H+](C)CCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC001036603421	1075673755	/nfs/dbraw/zinc/67/37/55/1075673755.db2.gz	JWBSXRCMDAVTKZ-BCRJPVCJSA-N	1	1	403.567	1.980	20	0		HDADMO
C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(c2cn[nH]c2)CC1	ZINC000507182177	1075677023	/nfs/dbraw/zinc/67/70/23/1075677023.db2.gz	UDPJYNCPROVEAZ-CQSZACIVSA-N	1	1	405.524	1.867	20	0		HDADMO
Cc1ccc(N2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)cc1S(=O)(=O)NC(C)(C)C	ZINC000804206167	1075680761	/nfs/dbraw/zinc/68/07/61/1075680761.db2.gz	BCDVRUWYXGAKIB-AWEZNQCLSA-N	1	1	405.480	1.462	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(CN2CCN(c3cc(OC)cc[nH+]3)CC2)n1	ZINC000557026494	1075684668	/nfs/dbraw/zinc/68/46/68/1075684668.db2.gz	CPLDPYBRDIAQAD-UHFFFAOYSA-N	1	1	420.521	1.908	20	0		HDADMO
CCc1nc(CCNC(=O)N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)sc1C	ZINC000443423782	1075688120	/nfs/dbraw/zinc/68/81/20/1075688120.db2.gz	DNSUGKOVAGTXSK-AWEZNQCLSA-N	1	1	419.555	1.550	20	0		HDADMO
CCc1nc(CCNC(=O)N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)sc1C	ZINC000443423782	1075688122	/nfs/dbraw/zinc/68/81/22/1075688122.db2.gz	DNSUGKOVAGTXSK-AWEZNQCLSA-N	1	1	419.555	1.550	20	0		HDADMO
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000536068443	1075689946	/nfs/dbraw/zinc/68/99/46/1075689946.db2.gz	CGDRYUDTBJJURK-DAABDDCCSA-N	1	1	422.581	1.923	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CC(C)(C)O)C1CC1	ZINC000509435316	1075690699	/nfs/dbraw/zinc/69/06/99/1075690699.db2.gz	CLLRJHQRTLQAQP-KRWDZBQOSA-N	1	1	402.539	1.075	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@@H]3C)C1)CC2	ZINC000429464643	1075692678	/nfs/dbraw/zinc/69/26/78/1075692678.db2.gz	BBLGPCBDFHFCDC-BMGDILEWSA-N	1	1	416.522	1.370	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@@H]3C)C1)CC2	ZINC000429464643	1075692681	/nfs/dbraw/zinc/69/26/81/1075692681.db2.gz	BBLGPCBDFHFCDC-BMGDILEWSA-N	1	1	416.522	1.370	20	0		HDADMO
CC(=O)NCCNC(=O)CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000732281585	1075697095	/nfs/dbraw/zinc/69/70/95/1075697095.db2.gz	RHELNZISDLWOFF-UHFFFAOYSA-N	1	1	409.918	1.063	20	0		HDADMO
O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)NC1CCCCC1	ZINC001084992793	1075698117	/nfs/dbraw/zinc/69/81/17/1075698117.db2.gz	UAFGJZKZSQZZSR-LNBWEQFGSA-N	1	1	401.551	1.782	20	0		HDADMO
O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)NC1CCCCC1	ZINC001084992793	1075698123	/nfs/dbraw/zinc/69/81/23/1075698123.db2.gz	UAFGJZKZSQZZSR-LNBWEQFGSA-N	1	1	401.551	1.782	20	0		HDADMO
COc1cc2[nH+]c(N3CCC(C(=O)Nc4cc(C)on4)CC3)nc(N)c2cc1OC	ZINC000480451885	1075705018	/nfs/dbraw/zinc/70/50/18/1075705018.db2.gz	XLSZSELHZBTHII-UHFFFAOYSA-N	1	1	412.450	1.803	20	0		HDADMO
COc1cccc(-c2noc(SCC(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)n2)c1	ZINC000543586469	1075706607	/nfs/dbraw/zinc/70/66/07/1075706607.db2.gz	CRXSNXUTKWRYPK-OAHLLOKOSA-N	1	1	419.551	1.837	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000549165459	1075709690	/nfs/dbraw/zinc/70/96/90/1075709690.db2.gz	JFFPDSFSWVOZAB-NVXWUHKLSA-N	1	1	411.506	1.757	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000549165459	1075709694	/nfs/dbraw/zinc/70/96/94/1075709694.db2.gz	JFFPDSFSWVOZAB-NVXWUHKLSA-N	1	1	411.506	1.757	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1	ZINC000530870749	1075711236	/nfs/dbraw/zinc/71/12/36/1075711236.db2.gz	NNDZSXQMONNXEM-INIZCTEOSA-N	1	1	419.917	1.978	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCNc1nc2ccccc2s1	ZINC000523209436	1075715214	/nfs/dbraw/zinc/71/52/14/1075715214.db2.gz	KLZOJNJZYSMOQN-MRXNPFEDSA-N	1	1	418.567	1.950	20	0		HDADMO
CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C	ZINC000509438723	1075716386	/nfs/dbraw/zinc/71/63/86/1075716386.db2.gz	NPMYTZFLGRPGAR-WCAVRKLYSA-N	1	1	416.566	1.633	20	0		HDADMO
Cc1ccncc1CN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509438711	1075716402	/nfs/dbraw/zinc/71/64/02/1075716402.db2.gz	NOSWPYFKLSONBH-LJQANCHMSA-N	1	1	409.534	1.675	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O	ZINC000509439702	1075720696	/nfs/dbraw/zinc/72/06/96/1075720696.db2.gz	QDIQBVSVNXLVTF-DYXWJJEUSA-N	1	1	416.566	1.323	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1	ZINC000509441326	1075722294	/nfs/dbraw/zinc/72/22/94/1075722294.db2.gz	VLLFQKOXFABRFR-ZWKOTPCHSA-N	1	1	402.539	1.245	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(Cc1cccnc1)C1CC1	ZINC000509442391	1075726021	/nfs/dbraw/zinc/72/60/21/1075726021.db2.gz	PHBBKHCHMLXQHF-IBGZPJMESA-N	1	1	421.545	1.900	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCc1cccc(N(C)C)n1	ZINC000509442037	1075727059	/nfs/dbraw/zinc/72/70/59/1075727059.db2.gz	LYVPTZSDGVRYTI-SFHVURJKSA-N	1	1	424.549	1.091	20	0		HDADMO
C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000509442902	1075734446	/nfs/dbraw/zinc/73/44/46/1075734446.db2.gz	VHPVKIQHQCBIJG-UXHICEINSA-N	1	1	415.582	1.114	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000732406260	1075735278	/nfs/dbraw/zinc/73/52/78/1075735278.db2.gz	CVGHYNJMWVPLGW-FPLPWBNLSA-N	1	1	422.485	1.342	20	0		HDADMO
CCOC1CC(CCNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000509442791	1075735590	/nfs/dbraw/zinc/73/55/90/1075735590.db2.gz	UEZZBBRBZAKVID-JSOIOWGOSA-N	1	1	416.566	1.635	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCN(Cc2cccs2)CC1	ZINC000732412017	1075738094	/nfs/dbraw/zinc/73/80/94/1075738094.db2.gz	AYVULHUJYZAHNT-GOSISDBHSA-N	1	1	404.580	1.869	20	0		HDADMO
CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509443108	1075738360	/nfs/dbraw/zinc/73/83/60/1075738360.db2.gz	XHQUGIUCSYNWLJ-DYXWJJEUSA-N	1	1	416.566	1.633	20	0		HDADMO
C[N@@H+](CCN1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1)Cc1ccccc1	ZINC000429475906	1075739805	/nfs/dbraw/zinc/73/98/05/1075739805.db2.gz	ZTIWRTXWLXXPQH-FQEVSTJZSA-N	1	1	415.582	1.845	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)CC(=O)NCCCNc2ccc(C)c[nH+]2)cc1F	ZINC000443585862	1075746491	/nfs/dbraw/zinc/74/64/91/1075746491.db2.gz	XWAVENOFZKMOMP-UHFFFAOYSA-N	1	1	407.467	2.124	20	0		HDADMO
C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1	ZINC000543689330	1075747392	/nfs/dbraw/zinc/74/73/92/1075747392.db2.gz	BEVMMNQMCRBFPY-UHFFFAOYSA-N	1	1	409.552	1.496	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@@H]1C1OCCO1	ZINC000732458176	1075749029	/nfs/dbraw/zinc/74/90/29/1075749029.db2.gz	FDJGEGYERWHYFK-LJQANCHMSA-N	1	1	403.527	1.531	20	0		HDADMO
O=C1CN(Cn2nc(C[NH+]3CCCCC3)n(Cc3ccccc3)c2=S)CCN1	ZINC000732460997	1075750743	/nfs/dbraw/zinc/75/07/43/1075750743.db2.gz	IWYDZRFEHUFIKP-UHFFFAOYSA-N	1	1	400.552	1.838	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000804221363	1075754630	/nfs/dbraw/zinc/75/46/30/1075754630.db2.gz	KYBJOAHETGYIIX-CVEARBPZSA-N	1	1	412.575	1.985	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000525485367	1075755569	/nfs/dbraw/zinc/75/55/69/1075755569.db2.gz	DSUDBUXPEATSNM-BEFAXECRSA-N	1	1	423.521	1.272	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000525485367	1075755576	/nfs/dbraw/zinc/75/55/76/1075755576.db2.gz	DSUDBUXPEATSNM-BEFAXECRSA-N	1	1	423.521	1.272	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000804221365	1075755942	/nfs/dbraw/zinc/75/59/42/1075755942.db2.gz	KYBJOAHETGYIIX-HZPDHXFCSA-N	1	1	412.575	1.985	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cnc(C4CC4)nc3N)c2)C1	ZINC000497689357	1075756691	/nfs/dbraw/zinc/75/66/91/1075756691.db2.gz	REHHLGNTQRDURC-QGZVFWFLSA-N	1	1	408.506	1.564	20	0		HDADMO
Nc1noc(CCNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1	ZINC000558953524	1075758045	/nfs/dbraw/zinc/75/80/45/1075758045.db2.gz	BQWFBYRDABFHRH-RBUKOAKNSA-N	1	1	406.490	2.162	20	0		HDADMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1	ZINC000508558758	1075758947	/nfs/dbraw/zinc/75/89/47/1075758947.db2.gz	UMERVJFCMWODED-UHFFFAOYSA-N	1	1	410.478	1.838	20	0		HDADMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)Cc1ccccc1	ZINC000504642472	1075759618	/nfs/dbraw/zinc/75/96/18/1075759618.db2.gz	OUBJVOHDIVWOKH-UHFFFAOYSA-N	1	1	406.490	1.903	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000514353393	1075761246	/nfs/dbraw/zinc/76/12/46/1075761246.db2.gz	LCMIANUPGZWPDE-CHWSQXEVSA-N	1	1	403.531	1.260	20	0		HDADMO
Ic1cnc(NCCCN2CCN(c3cc[nH+]cc3)CC2)nc1	ZINC000547329739	1075768093	/nfs/dbraw/zinc/76/80/93/1075768093.db2.gz	NTCIJAMOHWWDFA-UHFFFAOYSA-N	1	1	424.290	2.100	20	0		HDADMO
C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1	ZINC000556039349	1075776601	/nfs/dbraw/zinc/77/66/01/1075776601.db2.gz	KCKJQZWUNKLJSN-UHFFFAOYSA-N	1	1	418.295	1.951	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC1	ZINC000804225362	1075777718	/nfs/dbraw/zinc/77/77/18/1075777718.db2.gz	HSJWYTBGTCUWBT-UHFFFAOYSA-N	1	1	422.570	1.837	20	0		HDADMO
CC1CCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2)CC1	ZINC000429276666	1075783593	/nfs/dbraw/zinc/78/35/93/1075783593.db2.gz	UHOQLTRFKCZMPH-QGZVFWFLSA-N	1	1	424.567	1.638	20	0		HDADMO
CC1CCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2)CC1	ZINC000429276666	1075783596	/nfs/dbraw/zinc/78/35/96/1075783596.db2.gz	UHOQLTRFKCZMPH-QGZVFWFLSA-N	1	1	424.567	1.638	20	0		HDADMO
CC(C)(C)n1cnc(NC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)n1	ZINC000429783771	1075788768	/nfs/dbraw/zinc/78/87/68/1075788768.db2.gz	YZBGWAYZFKVVPH-MRXNPFEDSA-N	1	1	416.551	1.705	20	0		HDADMO
CC(C)(C)n1cnc(NC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)n1	ZINC000429783771	1075788774	/nfs/dbraw/zinc/78/87/74/1075788774.db2.gz	YZBGWAYZFKVVPH-MRXNPFEDSA-N	1	1	416.551	1.705	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509271361	1075792350	/nfs/dbraw/zinc/79/23/50/1075792350.db2.gz	CSIFEXKBQTWNSV-OAGGEKHMSA-N	1	1	414.597	1.740	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509271363	1075792420	/nfs/dbraw/zinc/79/24/20/1075792420.db2.gz	CSIFEXKBQTWNSV-PMPSAXMXSA-N	1	1	414.597	1.740	20	0		HDADMO
CN1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CCC[N@H+]3C3CCCCC3)nc2)CC1	ZINC000435591542	1075792808	/nfs/dbraw/zinc/79/28/08/1075792808.db2.gz	CRGYOZBPMZNCGO-IBGZPJMESA-N	1	1	421.611	2.227	20	0		HDADMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C1	ZINC000468449048	1075797331	/nfs/dbraw/zinc/79/73/31/1075797331.db2.gz	JZKPHMVHIABILY-KRWDZBQOSA-N	1	1	412.538	2.086	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)CC1	ZINC000471372215	1075802840	/nfs/dbraw/zinc/80/28/40/1075802840.db2.gz	CYNAYRKREMQPFJ-UHFFFAOYSA-N	1	1	406.487	1.985	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732623353	1075809536	/nfs/dbraw/zinc/80/95/36/1075809536.db2.gz	AGZCOZJMTJSWMT-CYBMUJFWSA-N	1	1	416.535	1.496	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)nc(C)[nH+]1	ZINC000488841119	1075817267	/nfs/dbraw/zinc/81/72/67/1075817267.db2.gz	QKOJNHZEEPDNOP-UHFFFAOYSA-N	1	1	417.535	1.743	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611037168	1075818220	/nfs/dbraw/zinc/81/82/20/1075818220.db2.gz	DOVVWXNOOLPAOT-GJZGRUSLSA-N	1	1	411.524	1.716	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1	ZINC000611036290	1075818390	/nfs/dbraw/zinc/81/83/90/1075818390.db2.gz	JYEXORDXOCUMKQ-SFHVURJKSA-N	1	1	407.555	1.903	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cnc(-c3cnn(C)c3)s2)C1	ZINC000732686611	1075821653	/nfs/dbraw/zinc/82/16/53/1075821653.db2.gz	IVPBKMNPVWHBOG-HNNXBMFYSA-N	1	1	421.523	1.173	20	0		HDADMO
CCOC(=O)CC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1	ZINC000611061486	1075822468	/nfs/dbraw/zinc/82/24/68/1075822468.db2.gz	OKNFSUNPNXBBNX-MOPGFXCFSA-N	1	1	410.559	1.158	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1	ZINC000611061488	1075822519	/nfs/dbraw/zinc/82/25/19/1075822519.db2.gz	OKNFSUNPNXBBNX-OALUTQOASA-N	1	1	410.559	1.158	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1	ZINC000611061490	1075822576	/nfs/dbraw/zinc/82/25/76/1075822576.db2.gz	OKNFSUNPNXBBNX-RBUKOAKNSA-N	1	1	410.559	1.158	20	0		HDADMO
COCc1c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cnn1-c1ccccc1	ZINC000466653944	1075827209	/nfs/dbraw/zinc/82/72/09/1075827209.db2.gz	KFQZPUWZIWPZPQ-LJQANCHMSA-N	1	1	411.506	1.397	20	0		HDADMO
O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732701141	1075835395	/nfs/dbraw/zinc/83/53/95/1075835395.db2.gz	KZYAXEPDOVBWQH-ZDUSSCGKSA-N	1	1	412.478	1.332	20	0		HDADMO
COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000611130235	1075847663	/nfs/dbraw/zinc/84/76/63/1075847663.db2.gz	LHGBUALQRASWFR-INIZCTEOSA-N	1	1	405.520	1.881	20	0		HDADMO
CC(C)N1CC[C@@H](Nc2cc(N[C@@H]3CCN(C(C)C)C3=O)c3ccncc3[nH+]2)C1=O	ZINC000576061096	1075848131	/nfs/dbraw/zinc/84/81/31/1075848131.db2.gz	IHULZQVEZQWRPE-IAGOWNOFSA-N	1	1	410.522	2.472	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cncc(I)c3)CC2)C1	ZINC000611134456	1075850110	/nfs/dbraw/zinc/85/01/10/1075850110.db2.gz	PDSMXOIUJWANLP-OAHLLOKOSA-N	1	1	414.291	1.538	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([S@](C)=O)cc1	ZINC000611121641	1075850668	/nfs/dbraw/zinc/85/06/68/1075850668.db2.gz	ILMCSZAFEQFJNG-SEXAOGGLSA-N	1	1	408.568	1.191	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O	ZINC000732772281	1075852166	/nfs/dbraw/zinc/85/21/66/1075852166.db2.gz	VEPQEYURPZJIJC-MRXNPFEDSA-N	1	1	423.535	1.472	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C(F)(F)F)n1	ZINC000732779154	1075863717	/nfs/dbraw/zinc/86/37/17/1075863717.db2.gz	RDNSSUNVGYONFG-CXAGYDPISA-N	1	1	420.501	1.876	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(F)(F)F)n1	ZINC000732779154	1075863721	/nfs/dbraw/zinc/86/37/21/1075863721.db2.gz	RDNSSUNVGYONFG-CXAGYDPISA-N	1	1	420.501	1.876	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)C2)CC1	ZINC000732781385	1075864799	/nfs/dbraw/zinc/86/47/99/1075864799.db2.gz	QMAYCTCMRIUZLP-SFHVURJKSA-N	1	1	415.513	1.589	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)C2)CC1	ZINC000732781385	1075864802	/nfs/dbraw/zinc/86/48/02/1075864802.db2.gz	QMAYCTCMRIUZLP-SFHVURJKSA-N	1	1	415.513	1.589	20	0		HDADMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1	ZINC000611181253	1075867939	/nfs/dbraw/zinc/86/79/39/1075867939.db2.gz	XJQCWHDWEKHLST-PMACEKPBSA-N	1	1	422.614	1.667	20	0		HDADMO
COC(=O)c1ccc(NC(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1	ZINC000611181164	1075868213	/nfs/dbraw/zinc/86/82/13/1075868213.db2.gz	SRZCKSLQTDVGNC-UHFFFAOYSA-N	1	1	402.539	1.902	20	0		HDADMO
COC(=O)C1CCN(C(=O)[C@@H](C)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1	ZINC000611180900	1075868475	/nfs/dbraw/zinc/86/84/75/1075868475.db2.gz	FKIREBPUVYYNCZ-GOSISDBHSA-N	1	1	408.587	1.277	20	0		HDADMO
NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1	ZINC000732809829	1075872342	/nfs/dbraw/zinc/87/23/42/1075872342.db2.gz	YXWYJNYBSSLFNP-INIZCTEOSA-N	1	1	408.524	1.140	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1	ZINC000732811919	1075874043	/nfs/dbraw/zinc/87/40/43/1075874043.db2.gz	ISKOAGJAVWLSJV-FQEVSTJZSA-N	1	1	420.598	1.864	20	0		HDADMO
CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1	ZINC000732811919	1075874045	/nfs/dbraw/zinc/87/40/45/1075874045.db2.gz	ISKOAGJAVWLSJV-FQEVSTJZSA-N	1	1	420.598	1.864	20	0		HDADMO
CC[N@@H+](Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)C[C@@H]1CCOC1	ZINC000611205025	1075877491	/nfs/dbraw/zinc/87/74/91/1075877491.db2.gz	GWCOXARZSMHANX-NSHDSACASA-N	1	1	423.491	1.345	20	0		HDADMO
CC[N@H+](Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)C[C@@H]1CCOC1	ZINC000611205025	1075877494	/nfs/dbraw/zinc/87/74/94/1075877494.db2.gz	GWCOXARZSMHANX-NSHDSACASA-N	1	1	423.491	1.345	20	0		HDADMO
CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@@H]1C	ZINC000611225412	1075880573	/nfs/dbraw/zinc/88/05/73/1075880573.db2.gz	WIQIOKORADQSGB-NWDGAFQWSA-N	1	1	411.524	1.983	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000732885751	1075892657	/nfs/dbraw/zinc/89/26/57/1075892657.db2.gz	LYJSJLZNZFYANC-HNNXBMFYSA-N	1	1	407.481	1.209	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000611321385	1075899852	/nfs/dbraw/zinc/89/98/52/1075899852.db2.gz	OHQRXCMKIGGIAC-SJORKVTESA-N	1	1	419.522	1.864	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000732913848	1075911177	/nfs/dbraw/zinc/91/11/77/1075911177.db2.gz	CZHCVVPXKRVOSO-LJQANCHMSA-N	1	1	418.586	1.910	20	0		HDADMO
Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000732898111	1075915295	/nfs/dbraw/zinc/91/52/95/1075915295.db2.gz	ZYLAKEMVEBSJMF-OAQYLSRUSA-N	1	1	411.502	1.658	20	0		HDADMO
CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000611365403	1075920097	/nfs/dbraw/zinc/92/00/97/1075920097.db2.gz	OYZSUCYZMGIQRG-CABCVRRESA-N	1	1	409.508	1.229	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)[C@@H](C)C1	ZINC000611395332	1075924190	/nfs/dbraw/zinc/92/41/90/1075924190.db2.gz	ZQMBHPRQKZTNCO-FUHWJXTLSA-N	1	1	404.511	1.485	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)[C@@H](C)C1	ZINC000611395332	1075924194	/nfs/dbraw/zinc/92/41/94/1075924194.db2.gz	ZQMBHPRQKZTNCO-FUHWJXTLSA-N	1	1	404.511	1.485	20	0		HDADMO
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000611403782	1075926013	/nfs/dbraw/zinc/92/60/13/1075926013.db2.gz	GNPXFWMAZKRTQL-MRXNPFEDSA-N	1	1	410.536	1.860	20	0		HDADMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(CCO)CCN3CCOCC3)cc2)C1	ZINC000489768249	1075928183	/nfs/dbraw/zinc/92/81/83/1075928183.db2.gz	CYFJEKGWWYIZJO-FQEVSTJZSA-N	1	1	418.582	1.755	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CCO)CCN1CCOCC1	ZINC000489776755	1075928640	/nfs/dbraw/zinc/92/86/40/1075928640.db2.gz	MOYTXMUWBYBXST-HXUWFJFHSA-N	1	1	418.582	1.897	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)C[C@@H]1C	ZINC000611484585	1075946545	/nfs/dbraw/zinc/94/65/45/1075946545.db2.gz	GWHJDBRXHWHXGZ-FXAWDEMLSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)C[C@@H]1C	ZINC000611484585	1075946549	/nfs/dbraw/zinc/94/65/49/1075946549.db2.gz	GWHJDBRXHWHXGZ-FXAWDEMLSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)C[C@@H]1C	ZINC000611484497	1075946695	/nfs/dbraw/zinc/94/66/95/1075946695.db2.gz	NRELRRHHPVRBSS-LAUBAEHRSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)C[C@@H]1C	ZINC000611484497	1075946696	/nfs/dbraw/zinc/94/66/96/1075946696.db2.gz	NRELRRHHPVRBSS-LAUBAEHRSA-N	1	1	403.523	1.466	20	0		HDADMO
CCOC(=O)c1c2c(sc1NC(=O)C(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@H]31)CCC2	ZINC000611521808	1075951889	/nfs/dbraw/zinc/95/18/89/1075951889.db2.gz	UQDQUIFLDCPVOB-GXTWGEPZSA-N	1	1	405.520	1.905	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1I	ZINC000611516022	1075953251	/nfs/dbraw/zinc/95/32/51/1075953251.db2.gz	NBTIQXMMIABLTR-UHFFFAOYSA-N	1	1	418.275	1.829	20	0		HDADMO
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000104688156	1075959533	/nfs/dbraw/zinc/95/95/33/1075959533.db2.gz	PBQBEBFABWUPAB-KRWDZBQOSA-N	1	1	415.515	1.672	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733037869	1075960953	/nfs/dbraw/zinc/96/09/53/1075960953.db2.gz	HOYSVCCRTMTQFW-AWEZNQCLSA-N	1	1	410.531	1.815	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccco1	ZINC000733037590	1075961101	/nfs/dbraw/zinc/96/11/01/1075961101.db2.gz	BCDKUCJAJCICQQ-ZDUSSCGKSA-N	1	1	408.471	1.446	20	0		HDADMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1	ZINC000733040627	1075962509	/nfs/dbraw/zinc/96/25/09/1075962509.db2.gz	QGEBQNNRQRPDPY-OAHLLOKOSA-N	1	1	410.531	1.670	20	0		HDADMO
O=C(NCCCCC[NH+]1CCN(C(=O)c2cocn2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001079162847	1075966024	/nfs/dbraw/zinc/96/60/24/1075966024.db2.gz	FRSOCFJUPTXTPE-LHHMMCJZSA-N	1	1	402.495	1.142	20	0		HDADMO
O=C(NCCCCC[NH+]1CCN(C(=O)c2ccoc2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001079162892	1075966353	/nfs/dbraw/zinc/96/63/53/1075966353.db2.gz	GWBLHCJHFMHAOV-RMMWZPCPSA-N	1	1	401.507	1.747	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(OC)cc2C(=O)NC)CC1=O	ZINC000733143125	1075975378	/nfs/dbraw/zinc/97/53/78/1075975378.db2.gz	BCSICRIBJLTHKE-LSDHHAIUSA-N	1	1	402.495	1.326	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NC[C@H](C)[NH+]3CCN(c4ccccc4)CC3)c2C)no1	ZINC000506466588	1075976269	/nfs/dbraw/zinc/97/62/69/1075976269.db2.gz	MLQHIRCVFIMTIY-INIZCTEOSA-N	1	1	423.521	1.872	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1COCCN1CC(F)(F)F	ZINC000506509420	1075976301	/nfs/dbraw/zinc/97/63/01/1075976301.db2.gz	DPMLNKGVTPMRKG-HKUYNNGSSA-N	1	1	415.456	1.345	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CC1=O	ZINC000733123424	1075978217	/nfs/dbraw/zinc/97/82/17/1075978217.db2.gz	LCNOSZAYXMNXDK-PXNSSMCTSA-N	1	1	400.523	1.795	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(N3CCOC3=O)c2)CC1=O	ZINC000733131636	1075980199	/nfs/dbraw/zinc/98/01/99/1075980199.db2.gz	FGBZVCDJISFWLO-QAPCUYQASA-N	1	1	400.479	1.915	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1=O	ZINC000733134470	1075981206	/nfs/dbraw/zinc/98/12/06/1075981206.db2.gz	QKXRUQBGUJVRMU-FUHWJXTLSA-N	1	1	422.570	1.835	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)OC)cc2)CC1=O	ZINC000733147427	1075982666	/nfs/dbraw/zinc/98/26/66/1075982666.db2.gz	NGGPVHGBAMSURV-WMZOPIPTSA-N	1	1	402.495	1.591	20	0		HDADMO
CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000509345894	1075987731	/nfs/dbraw/zinc/98/77/31/1075987731.db2.gz	SRTFUBHEIJTEPX-LBPRGKRZSA-N	1	1	405.446	1.819	20	0		HDADMO
Cn1cc(C[N@@H+](CCO)CCN2CCOCC2)c(-c2ccc3c(c2)OCCCO3)n1	ZINC000510197181	1075989847	/nfs/dbraw/zinc/98/98/47/1075989847.db2.gz	XSVAGROFQVWHJM-UHFFFAOYSA-N	1	1	416.522	1.375	20	0		HDADMO
CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000510280629	1075990222	/nfs/dbraw/zinc/99/02/22/1075990222.db2.gz	BQXKFMGICLVKQK-HOTGVXAUSA-N	1	1	418.504	1.662	20	0		HDADMO
CS(=O)(=O)c1nc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccn21	ZINC000733158097	1075992163	/nfs/dbraw/zinc/99/21/63/1075992163.db2.gz	CTHJDGJFKJHSKX-HNNXBMFYSA-N	1	1	406.508	1.111	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1C	ZINC000733164546	1075997353	/nfs/dbraw/zinc/99/73/53/1075997353.db2.gz	WSVFSOUMEYOGGE-UHFFFAOYSA-N	1	1	408.543	1.533	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1C	ZINC000733164546	1075997355	/nfs/dbraw/zinc/99/73/55/1075997355.db2.gz	WSVFSOUMEYOGGE-UHFFFAOYSA-N	1	1	408.543	1.533	20	0		HDADMO
CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)c1	ZINC000733171075	1076001525	/nfs/dbraw/zinc/00/15/25/1076001525.db2.gz	VIMZEBMMWOCAKS-HNNXBMFYSA-N	1	1	414.547	1.127	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)COc3ccc(C=O)cc3)c2)C1	ZINC000733261414	1076019471	/nfs/dbraw/zinc/01/94/71/1076019471.db2.gz	CRSMRYNBANJWBL-HXUWFJFHSA-N	1	1	409.486	1.892	20	0		HDADMO
COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](OC)C1	ZINC001081959535	1076019642	/nfs/dbraw/zinc/01/96/42/1076019642.db2.gz	LYHZBHHJLJQDGY-OFJPHGDMSA-N	1	1	402.491	1.313	20	0		HDADMO
COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](OC)C1	ZINC001081959535	1076019650	/nfs/dbraw/zinc/01/96/50/1076019650.db2.gz	LYHZBHHJLJQDGY-OFJPHGDMSA-N	1	1	402.491	1.313	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O	ZINC000733274221	1076027053	/nfs/dbraw/zinc/02/70/53/1076027053.db2.gz	VFRAACSWZPJHGL-UWJYYQICSA-N	1	1	404.486	1.973	20	0		HDADMO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12	ZINC000515526961	1076027240	/nfs/dbraw/zinc/02/72/40/1076027240.db2.gz	WXAOUTXLBBAHOX-CYBMUJFWSA-N	1	1	421.339	1.999	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	ZINC000727033929	1076029881	/nfs/dbraw/zinc/02/98/81/1076029881.db2.gz	ZDHLDEJPTSGZKH-UHFFFAOYSA-N	1	1	410.387	1.792	20	0		HDADMO
COc1ccc(COC[C@@H](O)C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1OC	ZINC000032491219	1076035351	/nfs/dbraw/zinc/03/53/51/1076035351.db2.gz	VXKXMJDGIOHLHU-SFHVURJKSA-N	1	1	405.495	1.696	20	0		HDADMO
C[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1	ZINC000733294158	1076040991	/nfs/dbraw/zinc/04/09/91/1076040991.db2.gz	UYUGYSUCJXLLFF-SJORKVTESA-N	1	1	408.543	1.604	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](O)COc2cccc(F)c2)CC1=O	ZINC000733358858	1076051665	/nfs/dbraw/zinc/05/16/65/1076051665.db2.gz	NWPNWFPKNJYPOK-CGTJXYLNSA-N	1	1	407.486	1.014	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccnc2N2CCC(O)CC2)CC1=O	ZINC000733362409	1076053144	/nfs/dbraw/zinc/05/31/44/1076053144.db2.gz	ZPMPOECPQBOUEY-IAGOWNOFSA-N	1	1	415.538	1.314	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1Cl	ZINC000053553452	1076058758	/nfs/dbraw/zinc/05/87/58/1076058758.db2.gz	SSOIKACDBVFPQG-SFHVURJKSA-N	1	1	407.946	1.549	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@H+](CC)C[C@H]2COc3ccccc3O2)CC1	ZINC000727225847	1076084442	/nfs/dbraw/zinc/08/44/42/1076084442.db2.gz	PGBQVFJDGKSNAO-KRWDZBQOSA-N	1	1	405.495	1.885	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@@H+](CC)C[C@H]2COc3ccccc3O2)CC1	ZINC000727225847	1076084446	/nfs/dbraw/zinc/08/44/46/1076084446.db2.gz	PGBQVFJDGKSNAO-KRWDZBQOSA-N	1	1	405.495	1.885	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1	ZINC000727241023	1076088115	/nfs/dbraw/zinc/08/81/15/1076088115.db2.gz	KRHNWRJWSAPMKD-MRXNPFEDSA-N	1	1	414.510	1.997	20	0		HDADMO
CC(C)Oc1ccc(NC(=S)NNC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000727282353	1076092406	/nfs/dbraw/zinc/09/24/06/1076092406.db2.gz	GSANGFFIGLTBMH-UHFFFAOYSA-N	1	1	411.597	1.862	20	0		HDADMO
COC(=O)NCCC(=O)OCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000733545375	1076092372	/nfs/dbraw/zinc/09/23/72/1076092372.db2.gz	RZXSYVQBJBQLSC-UHFFFAOYSA-N	1	1	413.474	1.773	20	0		HDADMO
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000733586993	1076116346	/nfs/dbraw/zinc/11/63/46/1076116346.db2.gz	BJGVJEHCCKWOKJ-GDBMZVCRSA-N	1	1	420.487	1.619	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccc(Br)cc2)CC1	ZINC000727449722	1076131444	/nfs/dbraw/zinc/13/14/44/1076131444.db2.gz	FEODGPNJGMQSCV-NTUHNPAUSA-N	1	1	416.341	1.503	20	0		HDADMO
Cc1nn(C)cc1C(=O)O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000733606831	1076133196	/nfs/dbraw/zinc/13/31/96/1076133196.db2.gz	WRWACFUCAOLNHT-MRXNPFEDSA-N	1	1	400.479	1.422	20	0		HDADMO
C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@@H](O)CN4CCCC4)CC3)cc2NC1=O	ZINC000727463289	1076135772	/nfs/dbraw/zinc/13/57/72/1076135772.db2.gz	HTDOPURFEBSKBT-YJBOKZPZSA-N	1	1	401.507	1.757	20	0		HDADMO
CO[C@H](CNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F	ZINC000733642779	1076136911	/nfs/dbraw/zinc/13/69/11/1076136911.db2.gz	UOZJQEICLJKHGP-CYBMUJFWSA-N	1	1	412.453	1.806	20	0		HDADMO
C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000727524364	1076146340	/nfs/dbraw/zinc/14/63/40/1076146340.db2.gz	DMXQUDRPWVCKHO-CRAIPNDOSA-N	1	1	422.485	1.987	20	0		HDADMO
C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)S(C)(=O)=O	ZINC000733667936	1076148784	/nfs/dbraw/zinc/14/87/84/1076148784.db2.gz	FSBXQSSYHZABFC-JKSUJKDBSA-N	1	1	424.567	1.047	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)[C@@H](C)CS(=O)(=O)CC	ZINC000733668949	1076150106	/nfs/dbraw/zinc/15/01/06/1076150106.db2.gz	HCJTUDZIOSIELU-ZDUSSCGKSA-N	1	1	407.496	1.186	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)cc2)C[C@H](C)O1	ZINC000733669659	1076151851	/nfs/dbraw/zinc/15/18/51/1076151851.db2.gz	RIDNVSPWDIDWHX-CALCHBBNSA-N	1	1	400.523	1.935	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCC(=O)Nc3ccccc3)cc2)CC1	ZINC000733670659	1076153771	/nfs/dbraw/zinc/15/37/71/1076153771.db2.gz	XNULBSNHSUOOLL-UHFFFAOYSA-N	1	1	423.517	1.912	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(Br)cn2)C1	ZINC000727549712	1076165795	/nfs/dbraw/zinc/16/57/95/1076165795.db2.gz	DDAFWCYEOYAQEO-CQSZACIVSA-N	1	1	414.300	1.474	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	ZINC000733781489	1076204399	/nfs/dbraw/zinc/20/43/99/1076204399.db2.gz	ZLTOMCSTOAYUJC-IAGOWNOFSA-N	1	1	406.552	1.597	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)c2nn(C)c(=O)c3ccccc32)c1	ZINC000727745218	1076211701	/nfs/dbraw/zinc/21/17/01/1076211701.db2.gz	SEYGYNGTIKGQKL-UHFFFAOYSA-N	1	1	424.501	1.821	20	0		HDADMO
CCCn1c2ccccc2n(CCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1=O	ZINC000057571950	1076213249	/nfs/dbraw/zinc/21/32/49/1076213249.db2.gz	XHUSKSHIWYLYRQ-GOSISDBHSA-N	1	1	400.523	1.926	20	0		HDADMO
CCOC(=O)C1=C(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)NC(=O)N[C@H]1c1ccco1	ZINC000733795126	1076215381	/nfs/dbraw/zinc/21/53/81/1076215381.db2.gz	APNDRPWGVBATEM-DYVFJYSZSA-N	1	1	417.462	1.726	20	0		HDADMO
C[C@@H](CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[N@@H+](C)C1CC1	ZINC000727741761	1076216730	/nfs/dbraw/zinc/21/67/30/1076216730.db2.gz	LJESNWDOKHPBHC-AWEZNQCLSA-N	1	1	404.536	1.446	20	0		HDADMO
CC(C)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	ZINC000022693499	1076218691	/nfs/dbraw/zinc/21/86/91/1076218691.db2.gz	KVKPEDWEQOYTIF-FUMNGEBKSA-N	1	1	419.566	1.825	20	0		HDADMO
O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000727768294	1076221317	/nfs/dbraw/zinc/22/13/17/1076221317.db2.gz	ZPTBSXSMYZXPGM-LJQANCHMSA-N	1	1	406.552	1.831	20	0		HDADMO
C[C@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000530965097	1076237068	/nfs/dbraw/zinc/23/70/68/1076237068.db2.gz	DDXZOLQDBNAJHN-PKOBYXMFSA-N	1	1	400.523	1.588	20	0		HDADMO
C[C@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000530965097	1076237071	/nfs/dbraw/zinc/23/70/71/1076237071.db2.gz	DDXZOLQDBNAJHN-PKOBYXMFSA-N	1	1	400.523	1.588	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1	ZINC000534530684	1076247555	/nfs/dbraw/zinc/24/75/55/1076247555.db2.gz	HCJLKAAHZOABRY-FQEVSTJZSA-N	1	1	421.501	1.245	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1	ZINC000534530684	1076247563	/nfs/dbraw/zinc/24/75/63/1076247563.db2.gz	HCJLKAAHZOABRY-FQEVSTJZSA-N	1	1	421.501	1.245	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1	ZINC000536050910	1076255303	/nfs/dbraw/zinc/25/53/03/1076255303.db2.gz	QYODLXUPOPGBJR-NRFANRHFSA-N	1	1	413.566	1.949	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1	ZINC000536050910	1076255306	/nfs/dbraw/zinc/25/53/06/1076255306.db2.gz	QYODLXUPOPGBJR-NRFANRHFSA-N	1	1	413.566	1.949	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000536080815	1076255516	/nfs/dbraw/zinc/25/55/16/1076255516.db2.gz	AEMRCCZQLSDYAG-HXUWFJFHSA-N	1	1	415.515	1.861	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000536080815	1076255523	/nfs/dbraw/zinc/25/55/23/1076255523.db2.gz	AEMRCCZQLSDYAG-HXUWFJFHSA-N	1	1	415.515	1.861	20	0		HDADMO
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1	ZINC000727829992	1076263520	/nfs/dbraw/zinc/26/35/20/1076263520.db2.gz	QDPBLEDBLHJOSL-MRXNPFEDSA-N	1	1	419.526	1.051	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN2CCC[N@H+](C(C)C)CC2)c1=O	ZINC000727823467	1076267732	/nfs/dbraw/zinc/26/77/32/1076267732.db2.gz	JSIVEMFAMWJWBM-UHFFFAOYSA-N	1	1	423.583	1.447	20	0		HDADMO
COCCN(CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)OC(C)(C)C	ZINC000733916094	1076267911	/nfs/dbraw/zinc/26/79/11/1076267911.db2.gz	BUYPLUMTFNDMIM-HZPDHXFCSA-N	1	1	401.548	1.874	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1	ZINC000727861350	1076275039	/nfs/dbraw/zinc/27/50/39/1076275039.db2.gz	SJWBEBYXULYMFE-UHFFFAOYSA-N	1	1	408.549	1.854	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1	ZINC000727860096	1076275053	/nfs/dbraw/zinc/27/50/53/1076275053.db2.gz	PSIXTEREIAFFAR-MRXNPFEDSA-N	1	1	419.551	1.860	20	0		HDADMO
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1	ZINC000727861419	1076275084	/nfs/dbraw/zinc/27/50/84/1076275084.db2.gz	CBLFAMNSTTZANN-IBGZPJMESA-N	1	1	400.523	1.052	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000727860284	1076275096	/nfs/dbraw/zinc/27/50/96/1076275096.db2.gz	AXXVJXWFSKXIAU-ZDUSSCGKSA-N	1	1	403.932	1.431	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCOc3cccnc3)CC2)CC1	ZINC000734071127	1076301208	/nfs/dbraw/zinc/30/12/08/1076301208.db2.gz	HPTVVJGRYJPVPS-UHFFFAOYSA-N	1	1	403.527	1.436	20	0		HDADMO
C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOc3cccnc3)cc2Cl)CC1	ZINC000734075655	1076303039	/nfs/dbraw/zinc/30/30/39/1076303039.db2.gz	OGKVWKXYQPODAS-UHFFFAOYSA-N	1	1	417.897	1.621	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1	ZINC000728023537	1076308259	/nfs/dbraw/zinc/30/82/59/1076308259.db2.gz	GUTVFIOBKVSFQB-JZWGVLFKSA-N	1	1	422.595	1.257	20	0		HDADMO
Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c(C)n1	ZINC001083151582	1076317219	/nfs/dbraw/zinc/31/72/19/1076317219.db2.gz	GSQKZYDGEDGNCS-ALGQRKQJSA-N	1	1	401.507	1.162	20	0		HDADMO
Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c(C)n1	ZINC001083151582	1076317221	/nfs/dbraw/zinc/31/72/21/1076317221.db2.gz	GSQKZYDGEDGNCS-ALGQRKQJSA-N	1	1	401.507	1.162	20	0		HDADMO
COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc(C(=O)OC)c1	ZINC000728053391	1076320938	/nfs/dbraw/zinc/32/09/38/1076320938.db2.gz	IURASCTXHHZQRH-ZIAGYGMSSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3OCCO3)C2)cc(C(=O)OC)c1	ZINC000728053391	1076320946	/nfs/dbraw/zinc/32/09/46/1076320946.db2.gz	IURASCTXHHZQRH-ZIAGYGMSSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1	ZINC000728053440	1076321076	/nfs/dbraw/zinc/32/10/76/1076321076.db2.gz	KGJPQYFPOWRLQF-UKRRQHHQSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3OCCO3)C2)c1	ZINC000728053440	1076321080	/nfs/dbraw/zinc/32/10/80/1076321080.db2.gz	KGJPQYFPOWRLQF-UKRRQHHQSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000728054601	1076321782	/nfs/dbraw/zinc/32/17/82/1076321782.db2.gz	XSKRYDJJTVDLEA-DNVCBOLYSA-N	1	1	415.490	1.453	20	0		HDADMO
Cc1ccc(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1F	ZINC000728077467	1076334431	/nfs/dbraw/zinc/33/44/31/1076334431.db2.gz	JLEMOBAKKOVYKF-HZPDHXFCSA-N	1	1	404.486	1.191	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@H+]1CCCC[C@H]1C	ZINC000728137414	1076340542	/nfs/dbraw/zinc/34/05/42/1076340542.db2.gz	XSJJDJFHKSAIPW-CVEARBPZSA-N	1	1	406.502	1.980	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@H+]1CCCC[C@@H]1C	ZINC000728137417	1076340851	/nfs/dbraw/zinc/34/08/51/1076340851.db2.gz	XSJJDJFHKSAIPW-JKSUJKDBSA-N	1	1	406.502	1.980	20	0		HDADMO
CC[C@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[N@H+]1CCc2ccccc2C1	ZINC000728151762	1076348081	/nfs/dbraw/zinc/34/80/81/1076348081.db2.gz	DTEJOEKANPANOE-YLJYHZDGSA-N	1	1	414.531	1.670	20	0		HDADMO
O=C(CN1CC[NH+](CCOc2ccccc2)CC1)NC[C@H]1COc2ccccc2O1	ZINC000025448292	1076351998	/nfs/dbraw/zinc/35/19/98/1076351998.db2.gz	MCAGQISWPUPJQO-FQEVSTJZSA-N	1	1	411.502	1.639	20	0		HDADMO
COc1ccccc1COC[C@H](O)C[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1	ZINC000028802432	1076361900	/nfs/dbraw/zinc/36/19/00/1076361900.db2.gz	NYLHIQJPXCUMBE-GOSISDBHSA-N	1	1	418.494	1.125	20	0		HDADMO
COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)cc1F	ZINC001084540036	1076370541	/nfs/dbraw/zinc/37/05/41/1076370541.db2.gz	QTUGIPLYDPSVPI-BFDCFGGLSA-N	1	1	404.482	1.919	20	0		HDADMO
COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)cc1F	ZINC001084540036	1076370547	/nfs/dbraw/zinc/37/05/47/1076370547.db2.gz	QTUGIPLYDPSVPI-BFDCFGGLSA-N	1	1	404.482	1.919	20	0		HDADMO
C/C(=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ccc(F)cc1	ZINC000729979513	1076404167	/nfs/dbraw/zinc/40/41/67/1076404167.db2.gz	DTVRKMPWKKRQDD-VLGSPTGOSA-N	1	1	416.541	1.926	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)C1	ZINC000729981473	1076405610	/nfs/dbraw/zinc/40/56/10/1076405610.db2.gz	XQZBAPUJOHPCCE-HNNXBMFYSA-N	1	1	401.504	1.353	20	0		HDADMO
CCOCC[NH+]1CCN(CC2=NC(=O)N[C@H](c3ccccc3)C2C(=O)OCC)CC1	ZINC000729994854	1076409924	/nfs/dbraw/zinc/40/99/24/1076409924.db2.gz	MBZWYXPXHAXQBP-HXUWFJFHSA-N	1	1	416.522	1.512	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)C1	ZINC000730036387	1076414022	/nfs/dbraw/zinc/41/40/22/1076414022.db2.gz	ROFLBKGELURHEY-APWZRJJASA-N	1	1	402.495	1.411	20	0		HDADMO
CNC(=O)C1(C(=O)OCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1	ZINC000730043556	1076418505	/nfs/dbraw/zinc/41/85/05/1076418505.db2.gz	HOZOPGKIQAHUGA-UHFFFAOYSA-N	1	1	409.486	1.553	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)CN3Cc4ccccc4C3=O)CC2)c1	ZINC000730051367	1076424590	/nfs/dbraw/zinc/42/45/90/1076424590.db2.gz	KZSKQPLNUSGGKM-UHFFFAOYSA-N	1	1	421.497	1.838	20	0		HDADMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)C[C@H](C)O1	ZINC000543691356	1076434323	/nfs/dbraw/zinc/43/43/23/1076434323.db2.gz	BONBOXPUVHBMQO-ROUUACIJSA-N	1	1	404.555	1.879	20	0		HDADMO
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3c[nH+]ccc3-n3cccn3)C2=O)cc1	ZINC000730088610	1076442743	/nfs/dbraw/zinc/44/27/43/1076442743.db2.gz	HOAVIUSBCFUKEZ-OAQYLSRUSA-N	1	1	420.429	1.682	20	0		HDADMO
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1c[nH+]ccc1-n1cccn1	ZINC000730088620	1076442895	/nfs/dbraw/zinc/44/28/95/1076442895.db2.gz	HQXIVKRNDLQXDN-NRFANRHFSA-N	1	1	402.414	1.599	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(I)o1	ZINC000730227399	1076484550	/nfs/dbraw/zinc/48/45/50/1076484550.db2.gz	DLOMNLUIQGFWTM-FVOPLDGLSA-N	1	1	403.264	1.650	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1	ZINC000730227452	1076485108	/nfs/dbraw/zinc/48/51/08/1076485108.db2.gz	FZQSYRBTMPNSSU-INIZCTEOSA-N	1	1	402.568	1.684	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)C2=O)cc1	ZINC000730252009	1076497521	/nfs/dbraw/zinc/49/75/21/1076497521.db2.gz	KIUDUEXRXOVUSH-UTKZUKDTSA-N	1	1	402.495	1.354	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[N@H+]3CCC[C@H](CNC(C)=O)C3)C2=O)cc1	ZINC000730252009	1076497524	/nfs/dbraw/zinc/49/75/24/1076497524.db2.gz	KIUDUEXRXOVUSH-UTKZUKDTSA-N	1	1	402.495	1.354	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000730264904	1076506006	/nfs/dbraw/zinc/50/60/06/1076506006.db2.gz	WYLJKRXGXLCYCP-QGZVFWFLSA-N	1	1	403.527	1.719	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1	ZINC000730264211	1076506295	/nfs/dbraw/zinc/50/62/95/1076506295.db2.gz	QASIECVNQXFKEF-KRWDZBQOSA-N	1	1	408.543	1.446	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1	ZINC000730264211	1076506305	/nfs/dbraw/zinc/50/63/05/1076506305.db2.gz	QASIECVNQXFKEF-KRWDZBQOSA-N	1	1	408.543	1.446	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730275518	1076518558	/nfs/dbraw/zinc/51/85/58/1076518558.db2.gz	KLVIHSWPDUXHGL-KRWDZBQOSA-N	1	1	418.513	1.581	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730275518	1076518564	/nfs/dbraw/zinc/51/85/64/1076518564.db2.gz	KLVIHSWPDUXHGL-KRWDZBQOSA-N	1	1	418.513	1.581	20	0		HDADMO
CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000730313612	1076529048	/nfs/dbraw/zinc/52/90/48/1076529048.db2.gz	XNJHYPJZMADPAS-SFHVURJKSA-N	1	1	419.547	1.494	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000730317832	1076535657	/nfs/dbraw/zinc/53/56/57/1076535657.db2.gz	PREJJTYWWACCPC-KBAYOESNSA-N	1	1	419.547	1.620	20	0		HDADMO
CCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000730320776	1076537752	/nfs/dbraw/zinc/53/77/52/1076537752.db2.gz	WSTWDSPHHILMDE-SFHVURJKSA-N	1	1	419.547	1.576	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1	ZINC000730381321	1076552857	/nfs/dbraw/zinc/55/28/57/1076552857.db2.gz	IVKFGUJFXUZDSJ-UHFFFAOYSA-N	1	1	419.507	1.168	20	0		HDADMO
Cn1ccnc1[C@@](O)(CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(F)(F)F	ZINC000730560349	1076594589	/nfs/dbraw/zinc/59/45/89/1076594589.db2.gz	WBJWWDQLNDUVCM-QAPCUYQASA-N	1	1	417.476	1.189	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000730559571	1076594950	/nfs/dbraw/zinc/59/49/50/1076594950.db2.gz	HHYDGUMGDNOJDG-FUWPLEQBSA-N	1	1	408.612	1.873	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1C	ZINC000730562923	1076603800	/nfs/dbraw/zinc/60/38/00/1076603800.db2.gz	MLBFHLFEWKAXFI-GOSISDBHSA-N	1	1	420.554	1.677	20	0		HDADMO
COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1	ZINC000730576065	1076608277	/nfs/dbraw/zinc/60/82/77/1076608277.db2.gz	YSADFKKNUHJJSP-INIZCTEOSA-N	1	1	413.515	1.403	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1	ZINC000730592790	1076610756	/nfs/dbraw/zinc/61/07/56/1076610756.db2.gz	ANBGIGWDLHYBTA-AWEZNQCLSA-N	1	1	414.959	1.230	20	0		HDADMO
Cc1ccc([C@H](CN2CCOCC2)NC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000730599186	1076611280	/nfs/dbraw/zinc/61/12/80/1076611280.db2.gz	DBZOOPONNCQPMY-FQEVSTJZSA-N	1	1	406.596	1.555	20	0		HDADMO
COC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1	ZINC000730684572	1076640248	/nfs/dbraw/zinc/64/02/48/1076640248.db2.gz	YHDPOCNXLWGNOC-SFHVURJKSA-N	1	1	417.510	1.432	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1	ZINC000730785430	1076656976	/nfs/dbraw/zinc/65/69/76/1076656976.db2.gz	APMACVSXHBHHFC-AWEZNQCLSA-N	1	1	415.943	1.575	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1	ZINC000730788735	1076658932	/nfs/dbraw/zinc/65/89/32/1076658932.db2.gz	YMTBQULBMDEYMH-HNNXBMFYSA-N	1	1	415.943	1.575	20	0		HDADMO
COC1CC[NH+](C(C)(C)CNC(=O)NCCS(=O)(=O)Cc2ccccc2)CC1	ZINC000730827789	1076663297	/nfs/dbraw/zinc/66/32/97/1076663297.db2.gz	SIVRVWKDOQPJBY-UHFFFAOYSA-N	1	1	411.568	1.790	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1	ZINC000730841934	1076671116	/nfs/dbraw/zinc/67/11/16/1076671116.db2.gz	SBFQZIXIRPLYRP-AUSIDOKSSA-N	1	1	424.501	1.444	20	0		HDADMO
CC(C)[C@H](CNC(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1	ZINC000730904819	1076688854	/nfs/dbraw/zinc/68/88/54/1076688854.db2.gz	FBEKCVLRLGVXNQ-ROUUACIJSA-N	1	1	411.591	1.957	20	0		HDADMO
CN(Cc1ccccc1)C(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000730937976	1076697999	/nfs/dbraw/zinc/69/79/99/1076697999.db2.gz	MWMIGYVPQRQGHU-UHFFFAOYSA-N	1	1	416.547	1.746	20	0		HDADMO
COc1cccc(CC(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)c1	ZINC000730937958	1076698616	/nfs/dbraw/zinc/69/86/16/1076698616.db2.gz	MKUMGEHCIYYKTE-UHFFFAOYSA-N	1	1	417.531	1.272	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3Cc4ccccc4C(=O)O3)c2)C1	ZINC000730971385	1076702214	/nfs/dbraw/zinc/70/22/14/1076702214.db2.gz	WEWCTMSYNIVLHQ-CTNGQTDRSA-N	1	1	421.497	1.782	20	0		HDADMO
CN(C(=O)c1ccco1)c1ccccc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000731004711	1076708405	/nfs/dbraw/zinc/70/84/05/1076708405.db2.gz	DFTDHQJUSTYTCE-INIZCTEOSA-N	1	1	412.490	1.873	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F	ZINC000731007864	1076709294	/nfs/dbraw/zinc/70/92/94/1076709294.db2.gz	VXQBWMCIJJNUJS-OAHLLOKOSA-N	1	1	415.531	1.695	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)CC[NH+]1CCOCC1)CC2	ZINC000731010516	1076710820	/nfs/dbraw/zinc/71/08/20/1076710820.db2.gz	XPBISMHFRYUGLA-UHFFFAOYSA-N	1	1	419.522	1.207	20	0		HDADMO
COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1	ZINC000731039057	1076716635	/nfs/dbraw/zinc/71/66/35/1076716635.db2.gz	PPADCFMAQMWDDO-MVGZEHJDSA-N	1	1	412.508	1.510	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1	ZINC000731202387	1076753377	/nfs/dbraw/zinc/75/33/77/1076753377.db2.gz	IQUMABWDAXFJQL-UHFFFAOYSA-N	1	1	401.486	1.685	20	0		HDADMO
CC(=O)NC1(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1	ZINC000731252782	1076769929	/nfs/dbraw/zinc/76/99/29/1076769929.db2.gz	PQCYFYHYMFVIOJ-UHFFFAOYSA-N	1	1	409.527	1.130	20	0		HDADMO
CCOC(=O)c1nc2n(n1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2	ZINC001164616854	719004632	/nfs/dbraw/zinc/00/46/32/719004632.db2.gz	NYSFUUPNYMMEBJ-UHFFFAOYSA-N	1	1	419.489	1.823	20	0		HDADMO
CCOC(=O)c1nc2n(n1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2	ZINC001164616854	719004637	/nfs/dbraw/zinc/00/46/37/719004637.db2.gz	NYSFUUPNYMMEBJ-UHFFFAOYSA-N	1	1	419.489	1.823	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)ccc1S(N)(=O)=O)CC2	ZINC001164653658	719316588	/nfs/dbraw/zinc/31/65/88/719316588.db2.gz	ZGJOXPPIXDFZKP-UHFFFAOYSA-N	1	1	412.947	1.784	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)CC4CC4)C3)n2)CC1	ZINC001164656667	719326414	/nfs/dbraw/zinc/32/64/14/719326414.db2.gz	ZVFIDDJUBJHFJO-WFXMLNOXSA-N	1	1	414.554	1.129	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N(Cc3noc4c3CNCC4)S(C)(=O)=O)c2)CC1	ZINC001164655284	719327259	/nfs/dbraw/zinc/32/72/59/719327259.db2.gz	POEVERMUZAASQN-UHFFFAOYSA-N	1	1	421.523	1.155	20	0		HDADMO
Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1	ZINC001164668931	719374999	/nfs/dbraw/zinc/37/49/99/719374999.db2.gz	OWBFOXIBDGFGLF-QZTJIDSGSA-N	1	1	413.503	1.496	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)ncc1N1CCOCC1)CC2	ZINC001164687526	719720656	/nfs/dbraw/zinc/72/06/56/719720656.db2.gz	YYYRCNZLIMTCCF-UHFFFAOYSA-N	1	1	408.934	1.147	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(OC)c2ccccc21	ZINC001164706789	719867953	/nfs/dbraw/zinc/86/79/53/719867953.db2.gz	QMDDNULVAHTHQB-VFNWGFHPSA-N	1	1	400.479	1.871	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1	ZINC001164705726	719871802	/nfs/dbraw/zinc/87/18/02/719871802.db2.gz	OCWRWKKGYPETHG-KNQAVFIVSA-N	1	1	402.539	1.909	20	0		HDADMO
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2	ZINC001164709143	719926483	/nfs/dbraw/zinc/92/64/83/719926483.db2.gz	ZKHNOTNWNVSQAT-UHFFFAOYSA-N	1	1	423.565	1.360	20	0		HDADMO
CNC(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nn1	ZINC001164713528	720149133	/nfs/dbraw/zinc/14/91/33/720149133.db2.gz	RIZHWYKUTGHMNX-SFHVURJKSA-N	1	1	410.522	1.739	20	0		HDADMO
Cn1nnc2c1CCN(c1nc(Cl)nc3[nH]cnc31)[C@H]2COCC[NH+]1CCCC1	ZINC001164715017	720166336	/nfs/dbraw/zinc/16/63/36/720166336.db2.gz	SBGUTRJQNMPRBK-ZDUSSCGKSA-N	1	1	417.905	1.351	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccnc(N3CCN(C)CC3)n1)C2	ZINC001164817141	720184703	/nfs/dbraw/zinc/18/47/03/720184703.db2.gz	OGEBOMZIMLDDPH-DENIHFKCSA-N	1	1	400.571	1.413	20	0		HDADMO
CCOC(=O)/C=C/c1cccnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2	ZINC001164719646	720217040	/nfs/dbraw/zinc/21/70/40/720217040.db2.gz	RXWDHFIOIPSCEM-DORXLWPQSA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)/C=C/c1cccnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2	ZINC001164719646	720217043	/nfs/dbraw/zinc/21/70/43/720217043.db2.gz	RXWDHFIOIPSCEM-DORXLWPQSA-N	1	1	416.522	1.323	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1n[nH]c(Cl)c3ncnc1-3)CCC2	ZINC001164813417	720229583	/nfs/dbraw/zinc/22/95/83/720229583.db2.gz	OAKYBWAJMFZUJU-UHFFFAOYSA-N	1	1	402.890	1.814	20	0		HDADMO
Cc1cn(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)cn1	ZINC001164812915	720231141	/nfs/dbraw/zinc/23/11/41/720231141.db2.gz	KJLOKUMOHCSWKT-UHFFFAOYSA-N	1	1	408.510	1.778	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1	ZINC001164719367	720238119	/nfs/dbraw/zinc/23/81/19/720238119.db2.gz	LLGMFTGEFFMWDV-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1	ZINC001164719367	720238126	/nfs/dbraw/zinc/23/81/26/720238126.db2.gz	LLGMFTGEFFMWDV-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2CNC3)nc1	ZINC001164816749	720249596	/nfs/dbraw/zinc/24/95/96/720249596.db2.gz	MATQZFODDYDELG-GOSISDBHSA-N	1	1	410.522	1.890	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2CNC3)nc1	ZINC001164816749	720249609	/nfs/dbraw/zinc/24/96/09/720249609.db2.gz	MATQZFODDYDELG-GOSISDBHSA-N	1	1	410.522	1.890	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1	ZINC001164720451	720259932	/nfs/dbraw/zinc/25/99/32/720259932.db2.gz	WDMATBYSFUGWLD-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1	ZINC001164720451	720259937	/nfs/dbraw/zinc/25/99/37/720259937.db2.gz	WDMATBYSFUGWLD-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1	ZINC001164721994	720278665	/nfs/dbraw/zinc/27/86/65/720278665.db2.gz	ODXTYBRBPTZNMF-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1	ZINC001164721994	720278674	/nfs/dbraw/zinc/27/86/74/720278674.db2.gz	ODXTYBRBPTZNMF-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)CN1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1	ZINC001164721482	720278807	/nfs/dbraw/zinc/27/88/07/720278807.db2.gz	JWJGTZBCNKFCQH-NRFANRHFSA-N	1	1	400.527	1.677	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccncc4)nc(C)n3)C2)C1	ZINC001164723317	720294941	/nfs/dbraw/zinc/29/49/41/720294941.db2.gz	WSLVOFXOFIBITJ-JOCHJYFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccncc4)nc(C)n3)C2)C1	ZINC001164723317	720294956	/nfs/dbraw/zinc/29/49/56/720294956.db2.gz	WSLVOFXOFIBITJ-JOCHJYFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(COC4CCC4)cn3)C2)C1	ZINC001164723892	720300379	/nfs/dbraw/zinc/30/03/79/720300379.db2.gz	PRRMSFNZANTEQO-QFIPXVFZSA-N	1	1	402.539	1.816	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(COC4CCC4)cn3)C2)C1	ZINC001164723892	720300387	/nfs/dbraw/zinc/30/03/87/720300387.db2.gz	PRRMSFNZANTEQO-QFIPXVFZSA-N	1	1	402.539	1.816	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(OCC4CCCC4)n3)C2)C1	ZINC001164721969	720305799	/nfs/dbraw/zinc/30/57/99/720305799.db2.gz	JIARNIPUGNTVCX-QFIPXVFZSA-N	1	1	417.554	1.710	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(OCC4CCCC4)n3)C2)C1	ZINC001164721969	720305801	/nfs/dbraw/zinc/30/58/01/720305801.db2.gz	JIARNIPUGNTVCX-QFIPXVFZSA-N	1	1	417.554	1.710	20	0		HDADMO
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ccc(C[N@@H+](C)C3CC3)cn2)O1	ZINC001164723070	720323757	/nfs/dbraw/zinc/32/37/57/720323757.db2.gz	GWKOYFPXKYGLJS-UFYCRDLUSA-N	1	1	402.539	1.907	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3C(N)=O)CC[C@@H]21	ZINC001164833724	720521133	/nfs/dbraw/zinc/52/11/33/720521133.db2.gz	DPWPHRHBGPEDCN-DZKIICNBSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc(Cl)c3C(N)=O)CC[C@@H]21	ZINC001164842916	720558799	/nfs/dbraw/zinc/55/87/99/720558799.db2.gz	YVICDLDYWAESRX-ILXRZTDVSA-N	1	1	403.918	1.803	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164739566	720618439	/nfs/dbraw/zinc/61/84/39/720618439.db2.gz	GADVFCLUGOQXNV-NEPJUHHUSA-N	1	1	424.839	1.511	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164739566	720618445	/nfs/dbraw/zinc/61/84/45/720618445.db2.gz	GADVFCLUGOQXNV-NEPJUHHUSA-N	1	1	424.839	1.511	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164839849	720632064	/nfs/dbraw/zinc/63/20/64/720632064.db2.gz	OWCYWOKIRQFJHN-IPMKNSEASA-N	1	1	407.526	1.940	20	0		HDADMO
Clc1ncc(N2CCOCC2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164741991	720700510	/nfs/dbraw/zinc/70/05/10/720700510.db2.gz	VDHHAMCECQPCCK-GJZGRUSLSA-N	1	1	417.901	1.099	20	0		HDADMO
COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164752065	720805333	/nfs/dbraw/zinc/80/53/33/720805333.db2.gz	YMFPEYWMKIIGAN-RDBSUJKOSA-N	1	1	418.885	1.538	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164744778	720812776	/nfs/dbraw/zinc/81/27/76/720812776.db2.gz	ILHMYZZUXXEDJE-KVSKMBFKSA-N	1	1	414.485	1.978	20	0		HDADMO
NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748682	720813259	/nfs/dbraw/zinc/81/32/59/720813259.db2.gz	QXNVUOHROXCNAY-YQQAZPJKSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164744157	720814541	/nfs/dbraw/zinc/81/45/41/720814541.db2.gz	HLUZGXPSOPLWJE-YXJHDRRASA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl	ZINC001164749238	720814692	/nfs/dbraw/zinc/81/46/92/720814692.db2.gz	SNFLGWKUFDNUFH-BFYDXBDKSA-N	1	1	415.929	1.805	20	0		HDADMO
CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164737967	720816827	/nfs/dbraw/zinc/81/68/27/720816827.db2.gz	CSJWKWVCCZFIKU-YQVWRLOYSA-N	1	1	411.510	1.624	20	0		HDADMO
COc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740714	720819539	/nfs/dbraw/zinc/81/95/39/720819539.db2.gz	LCHXLXUKGYYYLA-SOUVJXGZSA-N	1	1	404.906	1.505	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1F	ZINC001164743319	720821414	/nfs/dbraw/zinc/82/14/14/720821414.db2.gz	SEQHVPWJLHBBMP-GPMSIDNRSA-N	1	1	414.485	1.978	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C(=O)NC2=O	ZINC001164751051	720845251	/nfs/dbraw/zinc/84/52/51/720845251.db2.gz	XZJIDYZLUDJLKC-JFIYKMOQSA-N	1	1	421.505	1.245	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cc4nc(C(=O)OC)cc-4c(OC)[nH]3)CC[C@H]2C1	ZINC001164858997	720852937	/nfs/dbraw/zinc/85/29/37/720852937.db2.gz	TXKIFSZZSSLRAJ-KSSFIOAISA-N	1	1	418.494	1.532	20	0		HDADMO
NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164752711	720855922	/nfs/dbraw/zinc/85/59/22/720855922.db2.gz	ULQFSSWKKQBDOZ-YQQAZPJKSA-N	1	1	415.929	1.805	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@@H]2C1	ZINC001164853591	720856881	/nfs/dbraw/zinc/85/68/81/720856881.db2.gz	HTZWVJDVKSYKKI-GOEBONIOSA-N	1	1	412.918	1.409	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(C(=O)N(C)OC)cc(Cl)n3)CC[C@@H]2C1	ZINC001164854057	720858247	/nfs/dbraw/zinc/85/82/47/720858247.db2.gz	INTQGKAVXCZGMM-ZBFHGGJFSA-N	1	1	412.918	1.542	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3c(Cl)nc(Cl)nc3C(N)=O)CC[C@H]2C1	ZINC001164858887	720860310	/nfs/dbraw/zinc/86/03/10/720860310.db2.gz	SEXAQDCKJCBSIX-QWRGUYRKSA-N	1	1	404.298	1.056	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)n1	ZINC001164753567	720860967	/nfs/dbraw/zinc/86/09/67/720860967.db2.gz	YCZQLNKHJQMACZ-YQVWRLOYSA-N	1	1	422.537	1.424	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC[C@H]2C1	ZINC001164855499	720862288	/nfs/dbraw/zinc/86/22/88/720862288.db2.gz	NBJVCRRKBBBVJE-OALUTQOASA-N	1	1	412.538	1.778	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C/C(=O)OC)cc4cc[nH]c43)CC[C@H]2C1	ZINC001164852031	720868574	/nfs/dbraw/zinc/86/85/74/720868574.db2.gz	BUUKDWWOAYDXDO-HECAZONMSA-N	1	1	414.506	1.923	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)CC[C@H]2C1	ZINC001164856822	720871034	/nfs/dbraw/zinc/87/10/34/720871034.db2.gz	PNVLRJJWTCPSNE-GOEBONIOSA-N	1	1	423.945	1.668	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)CC[C@@H]2C1	ZINC001164856827	720871492	/nfs/dbraw/zinc/87/14/92/720871492.db2.gz	PNVLRJJWTCPSNE-ZBFHGGJFSA-N	1	1	423.945	1.668	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC[C@@H]2C1	ZINC001164860603	720875582	/nfs/dbraw/zinc/87/55/82/720875582.db2.gz	OYOBNWYXYQIVDM-MJGOQNOKSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)CC[C@H]2C1	ZINC001164864772	720875672	/nfs/dbraw/zinc/87/56/72/720875672.db2.gz	XCBGXCZFZWMIBQ-UONOGXRCSA-N	1	1	406.861	1.771	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)COc3cncc(Cl)n3)CC[C@@H]2C1	ZINC001164864492	720878414	/nfs/dbraw/zinc/87/84/14/720878414.db2.gz	VYLMFTUGRCOYEG-KGLIPLIRSA-N	1	1	406.861	1.771	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)CC[C@H]2C1	ZINC001164855295	720884824	/nfs/dbraw/zinc/88/48/24/720884824.db2.gz	GPIJUTCDVIXENH-RYUDHWBXSA-N	1	1	413.309	1.900	20	0		HDADMO
Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CCNC2	ZINC001164865853	721058957	/nfs/dbraw/zinc/05/89/57/721058957.db2.gz	APAGUGFJMNNBPW-HZPDHXFCSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CCNC2	ZINC001164865853	721058962	/nfs/dbraw/zinc/05/89/62/721058962.db2.gz	APAGUGFJMNNBPW-HZPDHXFCSA-N	1	1	400.914	1.650	20	0		HDADMO
COC(=O)Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866865	721072976	/nfs/dbraw/zinc/07/29/76/721072976.db2.gz	GJOSQVVIAXXTFC-JKSUJKDBSA-N	1	1	417.897	1.720	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1	ZINC001164866124	721077998	/nfs/dbraw/zinc/07/79/98/721077998.db2.gz	RGOKDCQYDQYYRS-HUUCEWRRSA-N	1	1	423.926	1.257	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2N1C	ZINC001164866657	721092507	/nfs/dbraw/zinc/09/25/07/721092507.db2.gz	UNZNLTGTSQQPNA-PVAVHDDUSA-N	1	1	409.494	1.128	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164864868	721093718	/nfs/dbraw/zinc/09/37/18/721093718.db2.gz	GZNXXSPOMRTZFS-GJZGRUSLSA-N	1	1	403.870	1.791	20	0		HDADMO
NC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865119	721101036	/nfs/dbraw/zinc/10/10/36/721101036.db2.gz	IMODBDSSEIZNAJ-OLZOCXBDSA-N	1	1	423.304	1.757	20	0		HDADMO
CCc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(N2CCOCC2)n1	ZINC001164863321	721112153	/nfs/dbraw/zinc/11/21/53/721112153.db2.gz	BVENSSUALDXAHV-LEWJYISDSA-N	1	1	424.549	1.750	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164762061	721118220	/nfs/dbraw/zinc/11/82/20/721118220.db2.gz	BHZXHHOAZAHVPT-JKSUJKDBSA-N	1	1	400.483	1.354	20	0		HDADMO
O=c1ccccn1-c1nccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164875488	721157874	/nfs/dbraw/zinc/15/78/74/721157874.db2.gz	LRCDFYHCOHNCEO-RBUKOAKNSA-N	1	1	404.474	1.502	20	0		HDADMO
CCc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164762684	721165182	/nfs/dbraw/zinc/16/51/82/721165182.db2.gz	DDIJPCANVWQKMH-RTBURBONSA-N	1	1	411.554	1.567	20	0		HDADMO
COC(=O)CSc1cncc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164770909	721215853	/nfs/dbraw/zinc/21/58/53/721215853.db2.gz	PFICXRYMLMTXPD-HZPDHXFCSA-N	1	1	402.524	1.434	20	0		HDADMO
CCOC(=O)[C@@H]1CCc2nnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2C1	ZINC001164761075	721245534	/nfs/dbraw/zinc/24/55/34/721245534.db2.gz	HGEPGJJDKTVMCU-GGPKGHCWSA-N	1	1	424.549	1.836	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)n2)CC1	ZINC001164879218	721251614	/nfs/dbraw/zinc/25/16/14/721251614.db2.gz	WLJDATURJOJYNN-AABGKKOBSA-N	1	1	410.522	1.829	20	0		HDADMO
Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1C(N)=O	ZINC001164879258	721262169	/nfs/dbraw/zinc/26/21/69/721262169.db2.gz	XLEKVTULLVZBPC-UHFFFAOYSA-N	1	1	423.945	1.149	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)cnc3Cl)CC2)C1	ZINC001164868981	721270500	/nfs/dbraw/zinc/27/05/00/721270500.db2.gz	ICNKSRMVNSVFBD-UHFFFAOYSA-N	1	1	402.326	1.790	20	0		HDADMO
COC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1C	ZINC001164869840	721270842	/nfs/dbraw/zinc/27/08/42/721270842.db2.gz	PUXHKKGZEKCUCB-UHFFFAOYSA-N	1	1	404.511	1.184	20	0		HDADMO
Cc1noc(-c2ccc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nc2)n1	ZINC001164874969	721287563	/nfs/dbraw/zinc/28/75/63/721287563.db2.gz	FUGHMZJLKUDAFO-UHFFFAOYSA-N	1	1	414.510	1.447	20	0		HDADMO
COc1cccc2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c21	ZINC001164879697	721287571	/nfs/dbraw/zinc/28/75/71/721287571.db2.gz	ZPPGDXUFVVQVFD-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
CC(C)OC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164873789	721290870	/nfs/dbraw/zinc/29/08/70/721290870.db2.gz	AJVFPDMHJRGOMF-UHFFFAOYSA-N	1	1	418.538	1.654	20	0		HDADMO
Cc1ccc(N2CCO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]32)nn1	ZINC001164777251	721313842	/nfs/dbraw/zinc/31/38/42/721313842.db2.gz	SFELHUIQAAPCNQ-VQTJNVASSA-N	1	1	410.522	1.747	20	0		HDADMO
COC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1	ZINC001164776292	721337418	/nfs/dbraw/zinc/33/74/18/721337418.db2.gz	DLFCJIPTSXADJD-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1	ZINC001164776292	721337423	/nfs/dbraw/zinc/33/74/23/721337423.db2.gz	DLFCJIPTSXADJD-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
CNC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1	ZINC001164782272	721369685	/nfs/dbraw/zinc/36/96/85/721369685.db2.gz	MAXVYPYCZCDJDZ-OAQYLSRUSA-N	1	1	414.510	1.560	20	0		HDADMO
CNC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1	ZINC001164782272	721369689	/nfs/dbraw/zinc/36/96/89/721369689.db2.gz	MAXVYPYCZCDJDZ-OAQYLSRUSA-N	1	1	414.510	1.560	20	0		HDADMO
CC(C)OC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164887324	721394519	/nfs/dbraw/zinc/39/45/19/721394519.db2.gz	HQCDQRXOEADXHY-XMSQKQJNSA-N	1	1	417.554	1.807	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Cl)n4)C3)O2)CC1	ZINC001164891546	721397515	/nfs/dbraw/zinc/39/75/15/721397515.db2.gz	QIPAUPSOMMJUCK-GUYCJALGSA-N	1	1	401.342	1.944	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1C	ZINC001164887669	721405241	/nfs/dbraw/zinc/40/52/41/721405241.db2.gz	LZMNFCPDZYAXPN-XMSQKQJNSA-N	1	1	402.539	1.942	20	0		HDADMO
CCOC(=O)c1cncc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890950	721408766	/nfs/dbraw/zinc/40/87/66/721408766.db2.gz	UMNZFHVTLSXNMK-UWJYYQICSA-N	1	1	403.527	1.419	20	0		HDADMO
COCCOc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164892348	721437339	/nfs/dbraw/zinc/43/73/39/721437339.db2.gz	IEYSUEAMESFAHL-WIYYLYMNSA-N	1	1	405.543	1.267	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(C(=O)OC)cn1)CC2	ZINC001164786891	721450196	/nfs/dbraw/zinc/45/01/96/721450196.db2.gz	OMMDRAGRQSLYMJ-GOSISDBHSA-N	1	1	418.538	1.997	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(C(N)=O)n1)CC2	ZINC001164782727	721462601	/nfs/dbraw/zinc/46/26/01/721462601.db2.gz	BFLLLIGPUJHRDI-SFHVURJKSA-N	1	1	402.539	1.914	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCCn4nnc(CNc5cccnc5)c4C3)n2)CC1	ZINC001164787176	721475616	/nfs/dbraw/zinc/47/56/16/721475616.db2.gz	CZDWYBCNFDHSKK-UHFFFAOYSA-N	1	1	420.525	1.237	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1	ZINC001164903134	721552827	/nfs/dbraw/zinc/55/28/27/721552827.db2.gz	AVTNRZFURPHTEC-SJLPKXTDSA-N	1	1	420.510	1.813	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164904755	721566170	/nfs/dbraw/zinc/56/61/70/721566170.db2.gz	FNPYLYFUHGJTOW-ZFWWWQNUSA-N	1	1	405.861	1.971	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164799702	721568648	/nfs/dbraw/zinc/56/86/48/721568648.db2.gz	DGEWATXSNORXGB-AABGKKOBSA-N	1	1	411.506	1.978	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164799702	721568651	/nfs/dbraw/zinc/56/86/51/721568651.db2.gz	DGEWATXSNORXGB-AABGKKOBSA-N	1	1	411.506	1.978	20	0		HDADMO
COCCN1C[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1=O	ZINC001164902871	721573219	/nfs/dbraw/zinc/57/32/19/721573219.db2.gz	MYOLAKWLYAIINE-AZUAARDMSA-N	1	1	407.518	1.576	20	0		HDADMO
COCCN1C[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1=O	ZINC001164902871	721573221	/nfs/dbraw/zinc/57/32/21/721573221.db2.gz	MYOLAKWLYAIINE-AZUAARDMSA-N	1	1	407.518	1.576	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cn3cncn3)cn2)[C@@H]2CCCO[C@@H]12	ZINC001164810169	721577305	/nfs/dbraw/zinc/57/73/05/721577305.db2.gz	UXOARNGFKQSWHZ-KCZVDYSFSA-N	1	1	405.506	1.985	20	0		HDADMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(N)(=O)=O)cn1)C2	ZINC001164907831	721752229	/nfs/dbraw/zinc/75/22/29/721752229.db2.gz	BGQBODKUJCVEOS-UHFFFAOYSA-N	1	1	413.503	1.912	20	0		HDADMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(N)(=O)=O)cn1)C2	ZINC001164907831	721752238	/nfs/dbraw/zinc/75/22/38/721752238.db2.gz	BGQBODKUJCVEOS-UHFFFAOYSA-N	1	1	413.503	1.912	20	0		HDADMO
COc1cc(OC)nc(CN2CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)n1	ZINC001165030643	721849340	/nfs/dbraw/zinc/84/93/40/721849340.db2.gz	SVEXDBRZVRQCHG-UHFFFAOYSA-N	1	1	400.483	1.048	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C	ZINC001164925195	721869427	/nfs/dbraw/zinc/86/94/27/721869427.db2.gz	MXDIFRLQJDRREZ-KGLIPLIRSA-N	1	1	421.933	1.257	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C	ZINC001164925195	721869428	/nfs/dbraw/zinc/86/94/28/721869428.db2.gz	MXDIFRLQJDRREZ-KGLIPLIRSA-N	1	1	421.933	1.257	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)CC1	ZINC001164923085	721870698	/nfs/dbraw/zinc/87/06/98/721870698.db2.gz	HYNNTCVRASHSDM-RBUKOAKNSA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)CC1	ZINC001164923085	721870699	/nfs/dbraw/zinc/87/06/99/721870699.db2.gz	HYNNTCVRASHSDM-RBUKOAKNSA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)C1	ZINC001164930167	721880437	/nfs/dbraw/zinc/88/04/37/721880437.db2.gz	CIELEZCYNZGIBN-QRVBRYPASA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)C1	ZINC001164930167	721880438	/nfs/dbraw/zinc/88/04/38/721880438.db2.gz	CIELEZCYNZGIBN-QRVBRYPASA-N	1	1	416.570	1.471	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164934620	721881553	/nfs/dbraw/zinc/88/15/53/721881553.db2.gz	SRONATZSJVKMHI-RTBURBONSA-N	1	1	409.600	1.621	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164934620	721881554	/nfs/dbraw/zinc/88/15/54/721881554.db2.gz	SRONATZSJVKMHI-RTBURBONSA-N	1	1	409.600	1.621	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164935478	721881557	/nfs/dbraw/zinc/88/15/57/721881557.db2.gz	WYQBUUKYWXDELK-UHOSZYNNSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164935478	721881559	/nfs/dbraw/zinc/88/15/59/721881559.db2.gz	WYQBUUKYWXDELK-UHOSZYNNSA-N	1	1	409.600	1.763	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1C(=O)OCC	ZINC001164933636	721889787	/nfs/dbraw/zinc/88/97/87/721889787.db2.gz	NNDQOACYKWNSLN-ROUUACIJSA-N	1	1	404.511	1.650	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)cc1C(=O)OCC	ZINC001164933636	721889790	/nfs/dbraw/zinc/88/97/90/721889790.db2.gz	NNDQOACYKWNSLN-ROUUACIJSA-N	1	1	404.511	1.650	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1	ZINC001164964896	722054733	/nfs/dbraw/zinc/05/47/33/722054733.db2.gz	ZGHDEYFTIYTHMQ-UHFFFAOYSA-N	1	1	416.913	1.743	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl	ZINC001164983416	722102930	/nfs/dbraw/zinc/10/29/30/722102930.db2.gz	QAKOZIZJNWPUOO-QAPCUYQASA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1OC	ZINC001164975500	722103849	/nfs/dbraw/zinc/10/38/49/722103849.db2.gz	CAOQNIBOGFQGNZ-PKOBYXMFSA-N	1	1	412.490	1.999	20	0		HDADMO
COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164980112	722104408	/nfs/dbraw/zinc/10/44/08/722104408.db2.gz	JPMYNCPRRXVBGR-APWZRJJASA-N	1	1	422.489	1.818	20	0		HDADMO
NC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164974936	722120138	/nfs/dbraw/zinc/12/01/38/722120138.db2.gz	JCFZAYKNQDANOM-RDJZCZTQSA-N	1	1	401.898	1.956	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1	ZINC001164981471	722131648	/nfs/dbraw/zinc/13/16/48/722131648.db2.gz	ORZZWLIGRSSTIY-UYAOXDASSA-N	1	1	411.506	1.705	20	0		HDADMO
NC(=O)c1ccnc(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164972208	722152648	/nfs/dbraw/zinc/15/26/48/722152648.db2.gz	GXOHXJZHALETCA-DOTOQJQBSA-N	1	1	401.898	1.956	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4[nH]cc(F)c42)CC3)CC1	ZINC001164996985	722229224	/nfs/dbraw/zinc/22/92/24/722229224.db2.gz	LFMRSFIZCHXESM-UHFFFAOYSA-N	1	1	416.892	1.897	20	0		HDADMO
CCOC(=O)c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1C	ZINC001164996071	722229227	/nfs/dbraw/zinc/22/92/27/722229227.db2.gz	CKVMSABLLUMCPD-UHFFFAOYSA-N	1	1	410.522	1.714	20	0		HDADMO
COC(=O)c1c(Cl)ccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996428	722230155	/nfs/dbraw/zinc/23/01/55/722230155.db2.gz	HBJDWAPGPSQUOX-UHFFFAOYSA-N	1	1	416.913	1.669	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc(Cl)nn2)CC3)CC1	ZINC001164998108	722230486	/nfs/dbraw/zinc/23/04/86/722230486.db2.gz	XNHBDTAWKGVVTP-UHFFFAOYSA-N	1	1	409.872	1.822	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)nc2)CC3)CC1	ZINC001164997689	722230748	/nfs/dbraw/zinc/23/07/48/722230748.db2.gz	SODAVFXZZUHQQC-UHFFFAOYSA-N	1	1	409.872	1.822	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4nc(Cl)ccc42)CC3)CC1	ZINC001164998064	722230842	/nfs/dbraw/zinc/23/08/42/722230842.db2.gz	VXSPQEHBXLXJNJ-UHFFFAOYSA-N	1	1	410.913	1.825	20	0		HDADMO
COC(=O)c1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1F	ZINC001164996049	722231849	/nfs/dbraw/zinc/23/18/49/722231849.db2.gz	BPFYTDUMDNMTPT-UHFFFAOYSA-N	1	1	400.458	1.154	20	0		HDADMO
COc1ccc2ncc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2c1	ZINC001164997134	722234095	/nfs/dbraw/zinc/23/40/95/722234095.db2.gz	LNAKDESOWRGAPO-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
CSc1cnc(Cl)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996824	722234208	/nfs/dbraw/zinc/23/42/08/722234208.db2.gz	KDBCDJFLFMZTOS-UHFFFAOYSA-N	1	1	405.959	1.999	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ncc4ncnc(Cl)c4n2)CC3)CC1	ZINC001164997193	722235586	/nfs/dbraw/zinc/23/55/86/722235586.db2.gz	NWHZYVZNEVLRCC-UHFFFAOYSA-N	1	1	411.901	1.220	20	0		HDADMO
Cc1nc(-c2ccncc2)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001165002661	722238801	/nfs/dbraw/zinc/23/88/01/722238801.db2.gz	WVOIJIDEUBAAOI-UHFFFAOYSA-N	1	1	416.533	1.994	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4n(n2)CCCO4)C3)CC[N@H+]1C	ZINC001004661678	1073519892	/nfs/dbraw/zinc/51/98/92/1073519892.db2.gz	WFQZRQRTOMPKRB-SQDXWYPISA-N	1	1	401.511	1.258	20	0		HDADMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](CCCO)c1ccccc1	ZINC000509109324	1073549655	/nfs/dbraw/zinc/54/96/55/1073549655.db2.gz	IPCSWINKSBQIID-LJQANCHMSA-N	1	1	405.539	1.433	20	0		HDADMO
O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625185718	1073564132	/nfs/dbraw/zinc/56/41/32/1073564132.db2.gz	UNMJUNVOZMSOQG-GOSISDBHSA-N	1	1	400.479	1.172	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3Cc4cccc(O)c4C3)CC2)CC1	ZINC000429110682	1073607436	/nfs/dbraw/zinc/60/74/36/1073607436.db2.gz	AMYDZTRMBUAMNV-LJQANCHMSA-N	1	1	414.550	1.835	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673659218	1073610330	/nfs/dbraw/zinc/61/03/30/1073610330.db2.gz	OOZZEUCUOVFWHS-RXVVDRJESA-N	1	1	413.566	1.638	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673659218	1073610337	/nfs/dbraw/zinc/61/03/37/1073610337.db2.gz	OOZZEUCUOVFWHS-RXVVDRJESA-N	1	1	413.566	1.638	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668944	1073623095	/nfs/dbraw/zinc/62/30/95/1073623095.db2.gz	CVKUEKAJXBTYLR-NQIIRXRSSA-N	1	1	419.614	1.978	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668944	1073623098	/nfs/dbraw/zinc/62/30/98/1073623098.db2.gz	CVKUEKAJXBTYLR-NQIIRXRSSA-N	1	1	419.614	1.978	20	0		HDADMO
NS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H]1C[N@H+](Cc3ccccc3)CCO1)CC2	ZINC000673673116	1073628785	/nfs/dbraw/zinc/62/87/85/1073628785.db2.gz	QRNORIMGWKBDLJ-SFHVURJKSA-N	1	1	415.515	1.514	20	0		HDADMO
NS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2	ZINC000673673116	1073628787	/nfs/dbraw/zinc/62/87/87/1073628787.db2.gz	QRNORIMGWKBDLJ-SFHVURJKSA-N	1	1	415.515	1.514	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1	ZINC000673700951	1073644165	/nfs/dbraw/zinc/64/41/65/1073644165.db2.gz	GRDZWNXLUYLIST-MAUKXSAKSA-N	1	1	421.563	1.746	20	0		HDADMO
C[C@@H](CCNC(=O)COc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1	ZINC000673756134	1073691191	/nfs/dbraw/zinc/69/11/91/1073691191.db2.gz	MHLZCDBPNDFDPC-INIZCTEOSA-N	1	1	405.520	1.740	20	0		HDADMO
O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000509134215	1073691888	/nfs/dbraw/zinc/69/18/88/1073691888.db2.gz	CGEWWKWXAXQYJF-PZJWPPBQSA-N	1	1	421.563	1.498	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000429124749	1073696827	/nfs/dbraw/zinc/69/68/27/1073696827.db2.gz	BNKHGNLVOORGQO-QGZVFWFLSA-N	1	1	419.526	1.461	20	0		HDADMO
CNC(=O)CN1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1	ZINC000673769145	1073713192	/nfs/dbraw/zinc/71/31/92/1073713192.db2.gz	OXLONCHKKAEYDG-GOSISDBHSA-N	1	1	401.555	1.503	20	0		HDADMO
C[C@H](CCNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1	ZINC000673788214	1073742540	/nfs/dbraw/zinc/74/25/40/1073742540.db2.gz	BSJPQXPKWWSLAG-CQSZACIVSA-N	1	1	400.454	1.890	20	0		HDADMO
O=C(Cn1cc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1)NC1CCCC1	ZINC000673810627	1073754669	/nfs/dbraw/zinc/75/46/69/1073754669.db2.gz	XONLOMQSOLGKEZ-SFHVURJKSA-N	1	1	404.515	1.270	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@H](C)C1	ZINC000429142871	1073763451	/nfs/dbraw/zinc/76/34/51/1073763451.db2.gz	OLENRLSVHNSWFL-VQIMIIECSA-N	1	1	411.568	1.978	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3c[nH]c(C(C)C)n3)CC2)CC1	ZINC000673820906	1073766639	/nfs/dbraw/zinc/76/66/39/1073766639.db2.gz	AHUCLTMSOJRPJU-UHFFFAOYSA-N	1	1	411.572	1.488	20	0		HDADMO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000673825445	1073769578	/nfs/dbraw/zinc/76/95/78/1073769578.db2.gz	XNBDSVBOYDXPDG-KRWDZBQOSA-N	1	1	412.519	1.947	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000673825445	1073769581	/nfs/dbraw/zinc/76/95/81/1073769581.db2.gz	XNBDSVBOYDXPDG-KRWDZBQOSA-N	1	1	412.519	1.947	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466541961	1073799131	/nfs/dbraw/zinc/79/91/31/1073799131.db2.gz	SSZGIYJEKYGUOR-RHSMWYFYSA-N	1	1	422.489	1.417	20	0		HDADMO
O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@H]1CCCN1c1ncccn1	ZINC000673834886	1073809341	/nfs/dbraw/zinc/80/93/41/1073809341.db2.gz	JRODUHWSUNDGKZ-LJQANCHMSA-N	1	1	421.505	1.835	20	0		HDADMO
NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1	ZINC000673836041	1073810594	/nfs/dbraw/zinc/81/05/94/1073810594.db2.gz	JGCVEQRMACIUST-IBGZPJMESA-N	1	1	405.495	1.895	20	0		HDADMO
NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1	ZINC000673836041	1073810601	/nfs/dbraw/zinc/81/06/01/1073810601.db2.gz	JGCVEQRMACIUST-IBGZPJMESA-N	1	1	405.495	1.895	20	0		HDADMO
CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673837217	1073811422	/nfs/dbraw/zinc/81/14/22/1073811422.db2.gz	GUINSPLLVGDVOF-MRXNPFEDSA-N	1	1	404.515	1.293	20	0		HDADMO
CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673837217	1073811433	/nfs/dbraw/zinc/81/14/33/1073811433.db2.gz	GUINSPLLVGDVOF-MRXNPFEDSA-N	1	1	404.515	1.293	20	0		HDADMO
CN(C)c1nc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cs1	ZINC000673882199	1073854633	/nfs/dbraw/zinc/85/46/33/1073854633.db2.gz	YAKPYAUCMZUSEY-WMZOPIPTSA-N	1	1	403.552	1.891	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)CC1=O	ZINC001299288677	1073875217	/nfs/dbraw/zinc/87/52/17/1073875217.db2.gz	ATCKTHSGMMXPRY-GMBSWORKSA-N	1	1	400.479	1.183	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000509166569	1073878267	/nfs/dbraw/zinc/87/82/67/1073878267.db2.gz	LXJDNQBNMTYKIB-XVLXNVKGSA-N	1	1	407.536	1.295	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)C2=O)c1	ZINC000673914958	1073886542	/nfs/dbraw/zinc/88/65/42/1073886542.db2.gz	JKFCAKDQXKEYQO-GHTZIAJQSA-N	1	1	403.523	1.996	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O	ZINC000429174499	1073943540	/nfs/dbraw/zinc/94/35/40/1073943540.db2.gz	YSYZPRPZGDRPGY-NNMXDRDESA-N	1	1	420.529	1.538	20	0		HDADMO
O=C(CC[N@@H+](CCO)CCN1CCOCC1)Nc1cccc(Br)c1	ZINC000484382532	1073959764	/nfs/dbraw/zinc/95/97/64/1073959764.db2.gz	HHMUAYGHIPRZMF-UHFFFAOYSA-N	1	1	400.317	1.404	20	0		HDADMO
Cc1c([C@@H](C)[NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)cnn1C	ZINC000543517478	1073966485	/nfs/dbraw/zinc/96/64/85/1073966485.db2.gz	BVBBFHRBPLVAIV-LLVKDONJSA-N	1	1	408.300	1.897	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000429179298	1073966919	/nfs/dbraw/zinc/96/69/19/1073966919.db2.gz	FXJDQFLWTBQSRW-GOSISDBHSA-N	1	1	407.946	1.771	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC(=O)OCc2ccccc2)CC1=O	ZINC000766044899	1073971165	/nfs/dbraw/zinc/97/11/65/1073971165.db2.gz	NSNKYIYZEAVGLJ-MOPGFXCFSA-N	1	1	401.507	1.569	20	0		HDADMO
COCCN1CCN(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1=O	ZINC000509184200	1073985885	/nfs/dbraw/zinc/98/58/85/1073985885.db2.gz	LRHZNNHGVUUFTJ-UHFFFAOYSA-N	1	1	407.515	1.004	20	0		HDADMO
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)N1CC[NH+](C)CC1	ZINC000543520677	1073990175	/nfs/dbraw/zinc/99/01/75/1073990175.db2.gz	DMMZXQBTFABDRX-LLVKDONJSA-N	1	1	408.446	1.651	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000429183680	1073993195	/nfs/dbraw/zinc/99/31/95/1073993195.db2.gz	PCWYKQNSQARGDU-GOSISDBHSA-N	1	1	411.572	1.125	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1	ZINC000673985733	1074000303	/nfs/dbraw/zinc/00/03/03/1074000303.db2.gz	OVZNCEKDAWRSNW-HKUYNNGSSA-N	1	1	418.538	1.789	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1	ZINC000509190007	1074004374	/nfs/dbraw/zinc/00/43/74/1074004374.db2.gz	KTSBTAZSQUPPLN-HUUCEWRRSA-N	1	1	415.581	1.621	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1	ZINC000509190007	1074004382	/nfs/dbraw/zinc/00/43/82/1074004382.db2.gz	KTSBTAZSQUPPLN-HUUCEWRRSA-N	1	1	415.581	1.621	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)[N@H+]1CCCC[C@@H]1C	ZINC000543533366	1074029303	/nfs/dbraw/zinc/02/93/03/1074029303.db2.gz	UBJWUWHHCLRYGK-LSDHHAIUSA-N	1	1	422.551	1.445	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](NC(=O)NC)C2)CC1	ZINC000466584094	1074030858	/nfs/dbraw/zinc/03/08/58/1074030858.db2.gz	JMQFCZIQSDDOQQ-LJQANCHMSA-N	1	1	402.543	1.037	20	0		HDADMO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC[N@@H+]1C	ZINC000543535674	1074039295	/nfs/dbraw/zinc/03/92/95/1074039295.db2.gz	ALIGAEXXHLFSMN-MSOLQXFVSA-N	1	1	417.554	1.916	20	0		HDADMO
COc1cc2c(cc1OC)CN(CCNC(=O)N[C@@H]1C[N@H+](C3CC3)C[C@H]1C)CC2	ZINC000466600199	1074064876	/nfs/dbraw/zinc/06/48/76/1074064876.db2.gz	WTTYVKXYWHCVLU-DNVCBOLYSA-N	1	1	402.539	1.844	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl	ZINC000543554621	1074082228	/nfs/dbraw/zinc/08/22/28/1074082228.db2.gz	FFRPLOLPNDKKSE-LBPRGKRZSA-N	1	1	402.829	1.672	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2=O)c1	ZINC000466610198	1074090364	/nfs/dbraw/zinc/09/03/64/1074090364.db2.gz	WQLRSKJVUOTSHY-ZNZDAUKMSA-N	1	1	402.495	1.591	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCC(C)(C)S(C)(=O)=O)cc2)C[C@H](C)O1	ZINC000674031531	1074090785	/nfs/dbraw/zinc/09/07/85/1074090785.db2.gz	AJXUOJLQPCDEHA-IYBDPMFKSA-N	1	1	411.568	1.918	20	0		HDADMO
CCn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O	ZINC000543560011	1074106614	/nfs/dbraw/zinc/10/66/14/1074106614.db2.gz	WFJZGQSJJPGABW-ZBFHGGJFSA-N	1	1	404.442	1.725	20	0		HDADMO
CCCCCn1nc(C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000674038951	1074109603	/nfs/dbraw/zinc/10/96/03/1074109603.db2.gz	HCMDCTVFQDDSLH-GOSISDBHSA-N	1	1	404.559	1.559	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@](C)(O)CSc1cccc(F)c1	ZINC000509210756	1074133592	/nfs/dbraw/zinc/13/35/92/1074133592.db2.gz	LKNDFOIERPEAPV-XLIONFOSSA-N	1	1	411.543	1.728	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](CC)C[C@@H]3C)CC2)ncn1	ZINC000674046073	1074139700	/nfs/dbraw/zinc/13/97/00/1074139700.db2.gz	BOWGZPVLANEKRV-QFBILLFUSA-N	1	1	416.570	1.313	20	0		HDADMO
O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000509213860	1074145052	/nfs/dbraw/zinc/14/50/52/1074145052.db2.gz	WOQDMMSZLONQTJ-UHFFFAOYSA-N	1	1	412.405	1.091	20	0		HDADMO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccnc(O[C@@H]2CCOC2)c1	ZINC000543578062	1074160505	/nfs/dbraw/zinc/16/05/05/1074160505.db2.gz	TXBUUYUJFJOTNQ-PWRODBHTSA-N	1	1	411.502	1.862	20	0		HDADMO
Cn1cc[nH+]c1CC1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)CC1	ZINC000429221533	1074172743	/nfs/dbraw/zinc/17/27/43/1074172743.db2.gz	KBOKBZDMAITWRT-TXPKVOOTSA-N	1	1	405.568	1.927	20	0		HDADMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC000429221572	1074173447	/nfs/dbraw/zinc/17/34/47/1074173447.db2.gz	KHWAFGPHBWCKNV-AWEZNQCLSA-N	1	1	402.499	1.866	20	0		HDADMO
CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1	ZINC000140837336	1074187343	/nfs/dbraw/zinc/18/73/43/1074187343.db2.gz	APARIXFQYHRSMW-LPHOPBHVSA-N	1	1	418.538	1.827	20	0		HDADMO
CNC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1	ZINC000140837336	1074187346	/nfs/dbraw/zinc/18/73/46/1074187346.db2.gz	APARIXFQYHRSMW-LPHOPBHVSA-N	1	1	418.538	1.827	20	0		HDADMO
C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000674176749	1074202317	/nfs/dbraw/zinc/20/23/17/1074202317.db2.gz	WBMWQPYUJNVEOY-ZHALLVOQSA-N	1	1	408.568	1.572	20	0		HDADMO
C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000674176749	1074202324	/nfs/dbraw/zinc/20/23/24/1074202324.db2.gz	WBMWQPYUJNVEOY-ZHALLVOQSA-N	1	1	408.568	1.572	20	0		HDADMO
O=C(CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429223161	1074213998	/nfs/dbraw/zinc/21/39/98/1074213998.db2.gz	QILWSJXNMFSLAP-CZUORRHYSA-N	1	1	412.494	1.858	20	0		HDADMO
C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](CCO)C3)c2)C[C@@H](C)O1	ZINC000674203675	1074218932	/nfs/dbraw/zinc/21/89/32/1074218932.db2.gz	DHDQKHNLYQYHRC-KZNAEPCWSA-N	1	1	403.523	1.855	20	0		HDADMO
C[C@H](c1ccccc1)[C@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000674215719	1074228433	/nfs/dbraw/zinc/22/84/33/1074228433.db2.gz	JGVYHJZXYDZKAY-BEFAXECRSA-N	1	1	412.490	1.406	20	0		HDADMO
CC[C@@H](C[C@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000674222935	1074231606	/nfs/dbraw/zinc/23/16/06/1074231606.db2.gz	BDOOHNUXMRIZPM-WMZOPIPTSA-N	1	1	418.538	1.316	20	0		HDADMO
CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1	ZINC000674222311	1074232875	/nfs/dbraw/zinc/23/28/75/1074232875.db2.gz	OSMCADBAWAPACO-QGZVFWFLSA-N	1	1	406.502	1.670	20	0		HDADMO
CC(C)N(CCCNC(=O)CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)S(C)(=O)=O	ZINC000674251749	1074243778	/nfs/dbraw/zinc/24/37/78/1074243778.db2.gz	PKDCJULAYXEZLP-HXUWFJFHSA-N	1	1	424.611	1.369	20	0		HDADMO
Cn1cc(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2=O)cn1	ZINC000674274044	1074253189	/nfs/dbraw/zinc/25/31/89/1074253189.db2.gz	NIDHMKZXHULEKF-LJQANCHMSA-N	1	1	410.522	1.691	20	0		HDADMO
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C12CCCCC2	ZINC000674295627	1074261999	/nfs/dbraw/zinc/26/19/99/1074261999.db2.gz	OJALRGDWEHHODW-HSALFYBXSA-N	1	1	408.587	1.820	20	0		HDADMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1	ZINC000674315630	1074265649	/nfs/dbraw/zinc/26/56/49/1074265649.db2.gz	KZRUUQOQQWJUGY-MRXNPFEDSA-N	1	1	420.535	1.286	20	0		HDADMO
COc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(OC)CC2)N(C)C)cc1OC	ZINC000674325848	1074275269	/nfs/dbraw/zinc/27/52/69/1074275269.db2.gz	KRXHFYXQLPTGJA-GOSISDBHSA-N	1	1	408.543	1.717	20	0		HDADMO
CC(C)(C(N)=O)N1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000674328332	1074277463	/nfs/dbraw/zinc/27/74/63/1074277463.db2.gz	VZFUUGAKAMKYMZ-LJQANCHMSA-N	1	1	401.555	1.490	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)[nH]n2)cc1OC	ZINC000674360147	1074291655	/nfs/dbraw/zinc/29/16/55/1074291655.db2.gz	KJLFGZGZNDNHEN-QGZVFWFLSA-N	1	1	413.522	1.946	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)n[nH]2)cc1OC	ZINC000674360147	1074291658	/nfs/dbraw/zinc/29/16/58/1074291658.db2.gz	KJLFGZGZNDNHEN-QGZVFWFLSA-N	1	1	413.522	1.946	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)n[nH]2)cc1OC	ZINC000674360147	1074291660	/nfs/dbraw/zinc/29/16/60/1074291660.db2.gz	KJLFGZGZNDNHEN-QGZVFWFLSA-N	1	1	413.522	1.946	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C[C@H](O)CN1CCOCC1	ZINC000674369083	1074298185	/nfs/dbraw/zinc/29/81/85/1074298185.db2.gz	WVHSCUOOMXCZGA-UXHICEINSA-N	1	1	419.566	1.705	20	0		HDADMO
CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C	ZINC001273133702	1074306760	/nfs/dbraw/zinc/30/67/60/1074306760.db2.gz	NNOURARPSCQJPB-DLBZAZTESA-N	1	1	411.568	1.997	20	0		HDADMO
O=C(CNC(=O)C1CCCCC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000674394946	1074309821	/nfs/dbraw/zinc/30/98/21/1074309821.db2.gz	GIXYSRRBAXMVEX-UHFFFAOYSA-N	1	1	402.539	1.829	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N(C)CCN3CCCS3(=O)=O)c2)CCO1	ZINC000674428249	1074330310	/nfs/dbraw/zinc/33/03/10/1074330310.db2.gz	GJQNNAQHZCTMMF-KRWDZBQOSA-N	1	1	424.567	1.084	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N(C)CCN3CCCS3(=O)=O)c2)CCO1	ZINC000674428249	1074330318	/nfs/dbraw/zinc/33/03/18/1074330318.db2.gz	GJQNNAQHZCTMMF-KRWDZBQOSA-N	1	1	424.567	1.084	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000674433617	1074332450	/nfs/dbraw/zinc/33/24/50/1074332450.db2.gz	OOWNNBBYECCFBN-SPEDKVCISA-N	1	1	413.522	1.671	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000674436861	1074333928	/nfs/dbraw/zinc/33/39/28/1074333928.db2.gz	BQXSWPDUOPKWOH-AVRDEDQJSA-N	1	1	413.522	1.277	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1	ZINC000674438404	1074337081	/nfs/dbraw/zinc/33/70/81/1074337081.db2.gz	IEWGOMBNQLTRKT-GCJKJVERSA-N	1	1	413.522	1.543	20	0		HDADMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1ccccc1N	ZINC000670472470	1074340400	/nfs/dbraw/zinc/34/04/00/1074340400.db2.gz	OCIMPYDTXFBFDC-GOSISDBHSA-N	1	1	416.547	1.528	20	0		HDADMO
O=C(CN1C[C@H](O)C[C@H](O)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000674464950	1074356135	/nfs/dbraw/zinc/35/61/35/1074356135.db2.gz	LFEHPDLDKXTFDG-SZPZYZBQSA-N	1	1	409.530	1.348	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc(C(F)(F)F)c3)CCN2C1=O	ZINC000674469187	1074366893	/nfs/dbraw/zinc/36/68/93/1074366893.db2.gz	XHLKTUZNBQTMDX-HIFRSBDPSA-N	1	1	401.385	1.413	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000674479739	1074379336	/nfs/dbraw/zinc/37/93/36/1074379336.db2.gz	VDLFUDUBIXHINF-MOPGFXCFSA-N	1	1	416.522	1.429	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CCC[C@H]1COC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674500485	1074395635	/nfs/dbraw/zinc/39/56/35/1074395635.db2.gz	WWGDSUGGWSWPNR-HNNXBMFYSA-N	1	1	409.531	1.431	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)CCN3CCCS3(=O)=O)cc2)C[C@@H](C)O1	ZINC000674503320	1074398304	/nfs/dbraw/zinc/39/83/04/1074398304.db2.gz	RWNJMPPDLBVUDN-IAGOWNOFSA-N	1	1	409.552	1.403	20	0		HDADMO
COc1cc(OC)cc(N2C[C@@H](C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC2=O)c1	ZINC000674514143	1074411173	/nfs/dbraw/zinc/41/11/73/1074411173.db2.gz	FAFPRTUAOHZIHB-FUHWJXTLSA-N	1	1	417.506	1.380	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCOC[C@@H](C2CCC2)C1	ZINC000429231013	1074415051	/nfs/dbraw/zinc/41/50/51/1074415051.db2.gz	YWXBKTITDULNGC-YJBOKZPZSA-N	1	1	409.552	1.130	20	0		HDADMO
CC(=O)N1CC[NH+]([C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)C[C@H]2C)CC1	ZINC000674539567	1074429166	/nfs/dbraw/zinc/42/91/66/1074429166.db2.gz	RLTYBBZBPWDIRD-NJAFHUGGSA-N	1	1	418.563	1.364	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1)CN1CC[NH+](C)CC1	ZINC000674585359	1074465085	/nfs/dbraw/zinc/46/50/85/1074465085.db2.gz	BYTHSBRIJWEXNN-KRWDZBQOSA-N	1	1	404.555	1.940	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1)CN1CC[NH+](C)CC1	ZINC000674585360	1074465560	/nfs/dbraw/zinc/46/55/60/1074465560.db2.gz	BYTHSBRIJWEXNN-QGZVFWFLSA-N	1	1	404.555	1.940	20	0		HDADMO
CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1nc(C(F)(F)F)cs1	ZINC000674607889	1074477834	/nfs/dbraw/zinc/47/78/34/1074477834.db2.gz	FKZJVMLTAPJJAI-VWYCJHECSA-N	1	1	408.446	1.565	20	0		HDADMO
CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1nc(C(F)(F)F)cs1	ZINC000674607889	1074477838	/nfs/dbraw/zinc/47/78/38/1074477838.db2.gz	FKZJVMLTAPJJAI-VWYCJHECSA-N	1	1	408.446	1.565	20	0		HDADMO
COc1cc(CC2CN(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)C2)cc(OC)c1	ZINC000674612349	1074479429	/nfs/dbraw/zinc/47/94/29/1074479429.db2.gz	XZDHXLATTQRLAX-UHFFFAOYSA-N	1	1	404.555	1.914	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1	ZINC000670478245	1074482182	/nfs/dbraw/zinc/48/21/82/1074482182.db2.gz	GPAWVSNYXBPJME-UHFFFAOYSA-N	1	1	400.523	1.158	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+](C)C2(CO)CCC2)CC1	ZINC000429236335	1074496524	/nfs/dbraw/zinc/49/65/24/1074496524.db2.gz	LAHMXYOALLCTME-UHFFFAOYSA-N	1	1	402.539	1.233	20	0		HDADMO
CC[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)C(=O)N1CCOCC1	ZINC000674647197	1074503882	/nfs/dbraw/zinc/50/38/82/1074503882.db2.gz	HTJJMJMCMXRHAZ-UYAOXDASSA-N	1	1	402.539	1.930	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCc3c(F)c(F)cc(F)c3F)CC2)CC1	ZINC000674651668	1074506668	/nfs/dbraw/zinc/50/66/68/1074506668.db2.gz	JWHIUTJOCJJFJN-UHFFFAOYSA-N	1	1	416.419	1.939	20	0		HDADMO
C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674668309	1074518693	/nfs/dbraw/zinc/51/86/93/1074518693.db2.gz	XPPNICPOZVMTCB-VQIMIIECSA-N	1	1	407.580	1.821	20	0		HDADMO
C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674668309	1074518706	/nfs/dbraw/zinc/51/87/06/1074518706.db2.gz	XPPNICPOZVMTCB-VQIMIIECSA-N	1	1	407.580	1.821	20	0		HDADMO
Cc1ccc(N2CCC(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2)[nH+]c1	ZINC000674691053	1074530259	/nfs/dbraw/zinc/53/02/59/1074530259.db2.gz	IFTAEOSRTZSSJO-UHFFFAOYSA-N	1	1	406.552	1.679	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1	ZINC000674778542	1074553243	/nfs/dbraw/zinc/55/32/43/1074553243.db2.gz	LBGOXOMVTWJWTP-KDOFPFPSSA-N	1	1	421.492	1.538	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1	ZINC000674778542	1074553247	/nfs/dbraw/zinc/55/32/47/1074553247.db2.gz	LBGOXOMVTWJWTP-KDOFPFPSSA-N	1	1	421.492	1.538	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc2)CCO1	ZINC000766068451	1074561458	/nfs/dbraw/zinc/56/14/58/1074561458.db2.gz	CBMQPLLTSKGBEI-XLIONFOSSA-N	1	1	415.538	1.682	20	0		HDADMO
CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000670484100	1074570223	/nfs/dbraw/zinc/57/02/23/1074570223.db2.gz	VTQVHPOTWZUUPS-OAQYLSRUSA-N	1	1	416.566	1.240	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2)cc(OC)c1	ZINC000674811584	1074576394	/nfs/dbraw/zinc/57/63/94/1074576394.db2.gz	KEEBSMPRZNXUKE-HNNXBMFYSA-N	1	1	413.540	1.112	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2)cc(OC)c1	ZINC000674811584	1074576396	/nfs/dbraw/zinc/57/63/96/1074576396.db2.gz	KEEBSMPRZNXUKE-HNNXBMFYSA-N	1	1	413.540	1.112	20	0		HDADMO
CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O	ZINC000674871091	1074592791	/nfs/dbraw/zinc/59/27/91/1074592791.db2.gz	IVQXWJWKPPYWTQ-IBGZPJMESA-N	1	1	424.611	1.893	20	0		HDADMO
COc1cc(OC)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1F	ZINC000674889968	1074598150	/nfs/dbraw/zinc/59/81/50/1074598150.db2.gz	ZNYIJVWGBRKNBU-CQSZACIVSA-N	1	1	408.474	1.020	20	0		HDADMO
CC[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)n1nnc(-c2ccc(Cl)cc2)n1	ZINC000674907037	1074614561	/nfs/dbraw/zinc/61/45/61/1074614561.db2.gz	QQLYGZFAKHPNDS-INIZCTEOSA-N	1	1	419.917	1.177	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1	ZINC000674917454	1074614686	/nfs/dbraw/zinc/61/46/86/1074614686.db2.gz	JTQZAWZDSLLPTD-FGZHOGPDSA-N	1	1	416.566	1.914	20	0		HDADMO
Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000766086140	1074659126	/nfs/dbraw/zinc/65/91/26/1074659126.db2.gz	ZCOGNTRXBMRLKN-GOSISDBHSA-N	1	1	415.494	1.722	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)C2)cc(OC)c1	ZINC000674985357	1074660493	/nfs/dbraw/zinc/66/04/93/1074660493.db2.gz	IIBQWFVYHHEUMK-YYWHXJBOSA-N	1	1	419.522	1.868	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)C2)cc(OC)c1	ZINC000674985357	1074660496	/nfs/dbraw/zinc/66/04/96/1074660496.db2.gz	IIBQWFVYHHEUMK-YYWHXJBOSA-N	1	1	419.522	1.868	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1	ZINC000429309785	1074669681	/nfs/dbraw/zinc/66/96/81/1074669681.db2.gz	VBDOWXOUMVAVDZ-OPVJXMOQSA-N	1	1	416.566	1.565	20	0		HDADMO
C[C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001487002916	1074678079	/nfs/dbraw/zinc/67/80/79/1074678079.db2.gz	GWIFKDDUXLHBLB-KVGGFXGBSA-N	1	1	402.495	1.271	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nn1-c1ccc(F)cc1F	ZINC000564756090	1074684516	/nfs/dbraw/zinc/68/45/16/1074684516.db2.gz	WIGOCCYNPFDCBD-SWLSCSKDSA-N	1	1	405.449	2.339	20	0		HDADMO
O=C(Cn1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1)N1CCOCC1	ZINC000604952545	1074690099	/nfs/dbraw/zinc/69/00/99/1074690099.db2.gz	FRVCVEOASGEXGM-LJQANCHMSA-N	1	1	411.506	1.593	20	0		HDADMO
COC(=O)C1(NC(=O)C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)CCCCC1	ZINC000532656830	1074690727	/nfs/dbraw/zinc/69/07/27/1074690727.db2.gz	PWGPYNJQAFTRFY-UHFFFAOYSA-N	1	1	406.483	1.626	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000675096877	1074708132	/nfs/dbraw/zinc/70/81/32/1074708132.db2.gz	DUKYJMOVUPPYCD-IINYFYTJSA-N	1	1	405.829	1.393	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000675096877	1074708137	/nfs/dbraw/zinc/70/81/37/1074708137.db2.gz	DUKYJMOVUPPYCD-IINYFYTJSA-N	1	1	405.829	1.393	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](C)[N@@H+]3CCc4sccc4C3)CCN2C1=O	ZINC000675089800	1074712690	/nfs/dbraw/zinc/71/26/90/1074712690.db2.gz	STJWHMAZRVTWSD-HIFRSBDPSA-N	1	1	405.524	1.173	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](C)[N@H+]3CCc4sccc4C3)CCN2C1=O	ZINC000675089800	1074712703	/nfs/dbraw/zinc/71/27/03/1074712703.db2.gz	STJWHMAZRVTWSD-HIFRSBDPSA-N	1	1	405.524	1.173	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CCN2C1=O	ZINC000675108142	1074723864	/nfs/dbraw/zinc/72/38/64/1074723864.db2.gz	MSDAIWOWBFUMQF-NEWSRXKRSA-N	1	1	413.522	1.717	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[N@H+]1Cc1ccccc1	ZINC000675126698	1074731607	/nfs/dbraw/zinc/73/16/07/1074731607.db2.gz	IUGUTIGFVFCGRL-KXBFYZLASA-N	1	1	406.486	1.690	20	0		HDADMO
COCCc1noc(CN(C)C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)n1	ZINC000675155870	1074747426	/nfs/dbraw/zinc/74/74/26/1074747426.db2.gz	GMWQUOHLHGLGGD-INIZCTEOSA-N	1	1	416.482	1.372	20	0		HDADMO
COCCc1noc(CN(C)C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)n1	ZINC000675155870	1074747434	/nfs/dbraw/zinc/74/74/34/1074747434.db2.gz	GMWQUOHLHGLGGD-INIZCTEOSA-N	1	1	416.482	1.372	20	0		HDADMO
CCCS(=O)(=O)NC1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000509312983	1074748860	/nfs/dbraw/zinc/74/88/60/1074748860.db2.gz	FKSPJLIVNDEIAK-UHFFFAOYSA-N	1	1	408.612	1.993	20	0		HDADMO
CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000675186220	1074751334	/nfs/dbraw/zinc/75/13/34/1074751334.db2.gz	MHOATMAKNNVNAB-IBGZPJMESA-N	1	1	403.575	1.552	20	0		HDADMO
NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1	ZINC000429244638	1074751658	/nfs/dbraw/zinc/75/16/58/1074751658.db2.gz	HEYPQHICCVMDND-GOSISDBHSA-N	1	1	409.552	1.131	20	0		HDADMO
Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)C2=O)cc1	ZINC000675189541	1074752499	/nfs/dbraw/zinc/75/24/99/1074752499.db2.gz	PHGJYWZLRPWLIC-MOPGFXCFSA-N	1	1	400.523	1.011	20	0		HDADMO
Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)C2=O)cc1	ZINC000675189541	1074752507	/nfs/dbraw/zinc/75/25/07/1074752507.db2.gz	PHGJYWZLRPWLIC-MOPGFXCFSA-N	1	1	400.523	1.011	20	0		HDADMO
O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000670496937	1074756762	/nfs/dbraw/zinc/75/67/62/1074756762.db2.gz	NOFMWHZSQHMERO-CQSZACIVSA-N	1	1	414.333	1.833	20	0		HDADMO
COC(=O)Cn1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)n1	ZINC000511526052	1074757493	/nfs/dbraw/zinc/75/74/93/1074757493.db2.gz	YKSWPCHKIFJVNE-MOPGFXCFSA-N	1	1	422.489	1.644	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O	ZINC000670496615	1074757538	/nfs/dbraw/zinc/75/75/38/1074757538.db2.gz	VFFIRAQMJXBCHE-ZDUSSCGKSA-N	1	1	416.349	1.956	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@H+]1CC(C)(C)O	ZINC000670496615	1074757544	/nfs/dbraw/zinc/75/75/44/1074757544.db2.gz	VFFIRAQMJXBCHE-ZDUSSCGKSA-N	1	1	416.349	1.956	20	0		HDADMO
CN(CCCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)S(=O)(=O)c1ccc(F)cc1	ZINC000675218762	1074760632	/nfs/dbraw/zinc/76/06/32/1074760632.db2.gz	ZQQMXUBKYRLHGN-KRWDZBQOSA-N	1	1	413.515	1.160	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@H+]1Cc1ccccc1	ZINC000466668070	1074762076	/nfs/dbraw/zinc/76/20/76/1074762076.db2.gz	CIMGLACEVYJRSI-RDJZCZTQSA-N	1	1	405.462	1.380	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@H+]1Cc1ccccc1	ZINC000466668068	1074762186	/nfs/dbraw/zinc/76/21/86/1074762186.db2.gz	CIMGLACEVYJRSI-NVXWUHKLSA-N	1	1	405.462	1.380	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)nn1-c1ccccc1Cl	ZINC000442344787	1074763695	/nfs/dbraw/zinc/76/36/95/1074763695.db2.gz	QMEVUWQJIGXGNN-AWEZNQCLSA-N	1	1	401.898	2.539	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC[C@@H]21	ZINC000766100337	1074770096	/nfs/dbraw/zinc/77/00/96/1074770096.db2.gz	ZXQIXSUTIUZWLG-DAESXHAQSA-N	1	1	402.470	1.535	20	0		HDADMO
C[N@@H+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@H](c2ccccc2)C1	ZINC000030030353	1074779123	/nfs/dbraw/zinc/77/91/23/1074779123.db2.gz	WMJGOLUFPFLXHZ-FQEVSTJZSA-N	1	1	401.532	1.907	20	0		HDADMO
C[N@H+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@H](c2ccccc2)C1	ZINC000030030353	1074779130	/nfs/dbraw/zinc/77/91/30/1074779130.db2.gz	WMJGOLUFPFLXHZ-FQEVSTJZSA-N	1	1	401.532	1.907	20	0		HDADMO
C[C@H](O)C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000675272885	1074782938	/nfs/dbraw/zinc/78/29/38/1074782938.db2.gz	HZKPASSMYNDGIO-SESVDKBCSA-N	1	1	404.555	1.247	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000675280011	1074784188	/nfs/dbraw/zinc/78/41/88/1074784188.db2.gz	AUHOALIMOPEBFT-LJQANCHMSA-N	1	1	417.531	1.441	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](Cn1cccn1)c1ccccc1	ZINC000675297083	1074790667	/nfs/dbraw/zinc/79/06/67/1074790667.db2.gz	BUMAARBURUSGPF-LJQANCHMSA-N	1	1	413.503	1.809	20	0		HDADMO
O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000675297691	1074791373	/nfs/dbraw/zinc/79/13/73/1074791373.db2.gz	QKHMKBYRPJQVLZ-RHSMWYFYSA-N	1	1	420.460	1.319	20	0		HDADMO
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000675304715	1074794175	/nfs/dbraw/zinc/79/41/75/1074794175.db2.gz	KRYVTTBYBSPGEN-INMHGKMJSA-N	1	1	404.898	1.305	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000675304714	1074794289	/nfs/dbraw/zinc/79/42/89/1074794289.db2.gz	KRYVTTBYBSPGEN-HLLBOEOZSA-N	1	1	404.898	1.305	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000675304713	1074794325	/nfs/dbraw/zinc/79/43/25/1074794325.db2.gz	KRYVTTBYBSPGEN-BFYDXBDKSA-N	1	1	404.898	1.305	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1	ZINC000429331734	1074796402	/nfs/dbraw/zinc/79/64/02/1074796402.db2.gz	LCZUPLCSOIRIMM-OAQYLSRUSA-N	1	1	407.478	1.763	20	0		HDADMO
C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000675317515	1074797744	/nfs/dbraw/zinc/79/77/44/1074797744.db2.gz	LWHRJBFJZFFQPX-AHRSYUTCSA-N	1	1	402.539	1.998	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1-n1cccn1	ZINC000675310606	1074801456	/nfs/dbraw/zinc/80/14/56/1074801456.db2.gz	WYSDLIQEOGMRFG-RBUKOAKNSA-N	1	1	412.538	1.639	20	0		HDADMO
NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)c1	ZINC000675325520	1074807370	/nfs/dbraw/zinc/80/73/70/1074807370.db2.gz	JPSARSAZPHRUQB-UHFFFAOYSA-N	1	1	401.488	1.794	20	0		HDADMO
Cc1cc(NC(=O)CC[NH+]2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)no1	ZINC000495490206	1075096469	/nfs/dbraw/zinc/09/64/69/1075096469.db2.gz	DGHXJUBHVCFZHY-SFHVURJKSA-N	1	1	405.886	1.809	20	0		HDADMO
C[C@H](CNC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1	ZINC000670513303	1075116390	/nfs/dbraw/zinc/11/63/90/1075116390.db2.gz	NDVCRFYTEGHPMQ-CQSZACIVSA-N	1	1	401.429	1.449	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC1CCN(CC(F)F)CC1	ZINC000670524810	1075143715	/nfs/dbraw/zinc/14/37/15/1075143715.db2.gz	FLFMWTASIPNGII-INIZCTEOSA-N	1	1	412.481	1.769	20	0		HDADMO
O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000675433508	1075144272	/nfs/dbraw/zinc/14/42/72/1075144272.db2.gz	UQTHVIKLYVZHFE-IGCXYCKISA-N	1	1	422.888	1.444	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n1	ZINC000441129380	1075146279	/nfs/dbraw/zinc/14/62/79/1075146279.db2.gz	WQZRHKZFVYRGST-MSOLQXFVSA-N	1	1	413.522	1.980	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)n1	ZINC000441129380	1075146283	/nfs/dbraw/zinc/14/62/83/1075146283.db2.gz	WQZRHKZFVYRGST-MSOLQXFVSA-N	1	1	413.522	1.980	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCOCC2(CCCC2)C1	ZINC000670526874	1075148969	/nfs/dbraw/zinc/14/89/69/1075148969.db2.gz	BPAOTXGHCCJUPA-UHFFFAOYSA-N	1	1	407.555	1.557	20	0		HDADMO
Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000675458058	1075156659	/nfs/dbraw/zinc/15/66/59/1075156659.db2.gz	BWEBAUWJBAHQTF-INIZCTEOSA-N	1	1	409.483	1.983	20	0		HDADMO
Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000675458058	1075156662	/nfs/dbraw/zinc/15/66/62/1075156662.db2.gz	BWEBAUWJBAHQTF-INIZCTEOSA-N	1	1	409.483	1.983	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)C[C@H](C)O1	ZINC000485860022	1075157895	/nfs/dbraw/zinc/15/78/95/1075157895.db2.gz	BHPUOSDYXRIDPG-FRRDWIJNSA-N	1	1	409.478	1.149	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1	ZINC000144182069	1075164569	/nfs/dbraw/zinc/16/45/69/1075164569.db2.gz	JRCNHHWKHMBLIW-IAGOWNOFSA-N	1	1	412.534	1.916	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)CC[N@@H+]1CCO	ZINC000429351680	1075168074	/nfs/dbraw/zinc/16/80/74/1075168074.db2.gz	GBHGQIDAYWTASQ-OAHLLOKOSA-N	1	1	416.478	1.436	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)CC[N@H+]1CCO	ZINC000429351680	1075168076	/nfs/dbraw/zinc/16/80/76/1075168076.db2.gz	GBHGQIDAYWTASQ-OAHLLOKOSA-N	1	1	416.478	1.436	20	0		HDADMO
COC[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000675477463	1075168214	/nfs/dbraw/zinc/16/82/14/1075168214.db2.gz	ZBWJIHABTQHOCY-SFHVURJKSA-N	1	1	409.914	1.467	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1	ZINC000490501260	1075171357	/nfs/dbraw/zinc/17/13/57/1075171357.db2.gz	RIUHKLPGOAZXAM-AWEZNQCLSA-N	1	1	405.886	1.691	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)C1	ZINC000440070143	1075171773	/nfs/dbraw/zinc/17/17/73/1075171773.db2.gz	JEDNZFYLDCTQRG-HNNXBMFYSA-N	1	1	405.886	1.610	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000473000689	1075174710	/nfs/dbraw/zinc/17/47/10/1075174710.db2.gz	NQUWBPVHIHKSLP-IYBDPMFKSA-N	1	1	421.423	1.974	20	0		HDADMO
O=C(C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000675491654	1075176309	/nfs/dbraw/zinc/17/63/09/1075176309.db2.gz	SRGKYGATZOCBRK-IYBDPMFKSA-N	1	1	407.453	1.808	20	0		HDADMO
O=C(C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000675491654	1075176313	/nfs/dbraw/zinc/17/63/13/1075176313.db2.gz	SRGKYGATZOCBRK-IYBDPMFKSA-N	1	1	407.453	1.808	20	0		HDADMO
CN(C)C(=O)CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000675535684	1075193807	/nfs/dbraw/zinc/19/38/07/1075193807.db2.gz	JZGDDQFNMANYLA-OAQYLSRUSA-N	1	1	415.582	1.704	20	0		HDADMO
Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1	ZINC000466684764	1075195329	/nfs/dbraw/zinc/19/53/29/1075195329.db2.gz	UPYVGAFUBPWEOO-DNVCBOLYSA-N	1	1	419.489	1.688	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[N@H+](CC)CC2)c1	ZINC000509349884	1075197243	/nfs/dbraw/zinc/19/72/43/1075197243.db2.gz	FZGRJUSGSAHEEX-UHFFFAOYSA-N	1	1	403.570	1.433	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](CC)CC2)c1	ZINC000509349884	1075197248	/nfs/dbraw/zinc/19/72/48/1075197248.db2.gz	FZGRJUSGSAHEEX-UHFFFAOYSA-N	1	1	403.570	1.433	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)N2CCC(S(C)(=O)=O)CC2)c2cccs2)CC1	ZINC000675528408	1075200140	/nfs/dbraw/zinc/20/01/40/1075200140.db2.gz	BPZGPZKDNQDSDN-INIZCTEOSA-N	1	1	414.597	1.255	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C[N@H+]1Cc1ccccc1	ZINC000466685242	1075201063	/nfs/dbraw/zinc/20/10/63/1075201063.db2.gz	ZRAUNMFRIMKJSN-HIFRSBDPSA-N	1	1	401.536	2.553	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000675558554	1075202934	/nfs/dbraw/zinc/20/29/34/1075202934.db2.gz	LGFQNTQARSKTFJ-ZWKOTPCHSA-N	1	1	407.559	1.019	20	0		HDADMO
C[C@@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC[N@H+](C2CCC2)C1	ZINC000429360409	1075210016	/nfs/dbraw/zinc/21/00/16/1075210016.db2.gz	ANDTYRUKXGUAAK-XLIONFOSSA-N	1	1	411.612	1.751	20	0		HDADMO
C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1nc(Cc2ccccc2)no1	ZINC000429360052	1075210982	/nfs/dbraw/zinc/21/09/82/1075210982.db2.gz	FCHKQIAHZXFCKU-GOEBONIOSA-N	1	1	400.483	1.360	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000804219399	1075213667	/nfs/dbraw/zinc/21/36/67/1075213667.db2.gz	XDFQUHULMVXJDR-IIBYNOLFSA-N	1	1	410.559	1.692	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C(N)=O)cc2)CC1	ZINC000675568251	1075217786	/nfs/dbraw/zinc/21/77/86/1075217786.db2.gz	ZVVZZVPJBBORRO-ROUUACIJSA-N	1	1	401.511	1.630	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)no1	ZINC000556576646	1075221955	/nfs/dbraw/zinc/22/19/55/1075221955.db2.gz	WBDHUTNSJMTCGV-WMZOPIPTSA-N	1	1	416.547	2.429	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)no1	ZINC000556576646	1075221958	/nfs/dbraw/zinc/22/19/58/1075221958.db2.gz	WBDHUTNSJMTCGV-WMZOPIPTSA-N	1	1	416.547	2.429	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)no1	ZINC000556576410	1075222039	/nfs/dbraw/zinc/22/20/39/1075222039.db2.gz	WBDHUTNSJMTCGV-FUHWJXTLSA-N	1	1	416.547	2.429	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)no1	ZINC000556576410	1075222041	/nfs/dbraw/zinc/22/20/41/1075222041.db2.gz	WBDHUTNSJMTCGV-FUHWJXTLSA-N	1	1	416.547	2.429	20	0		HDADMO
CN(C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675606090	1075222792	/nfs/dbraw/zinc/22/27/92/1075222792.db2.gz	VACWVDOOIMCINU-GGAORHGYSA-N	1	1	414.594	1.811	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)n1	ZINC000426682286	1075224854	/nfs/dbraw/zinc/22/48/54/1075224854.db2.gz	HIGHZXAPUFCVCB-ZBFHGGJFSA-N	1	1	403.483	1.884	20	0		HDADMO
O=C(Nc1ccccc1OCC(F)F)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000675588312	1075226119	/nfs/dbraw/zinc/22/61/19/1075226119.db2.gz	YCUDLZSFYXALBW-HNNXBMFYSA-N	1	1	411.449	1.982	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccn(CCc3ccncc3)n2)CC1=O	ZINC000591642135	1075229006	/nfs/dbraw/zinc/22/90/06/1075229006.db2.gz	FHVCRBCTZFQSSH-RBUKOAKNSA-N	1	1	410.522	1.792	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[NH+]2CCCC2)o1	ZINC000675591982	1075229649	/nfs/dbraw/zinc/22/96/49/1075229649.db2.gz	DKIYRMYROUKWIX-ROUUACIJSA-N	1	1	415.494	1.855	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1	ZINC000675594399	1075231572	/nfs/dbraw/zinc/23/15/72/1075231572.db2.gz	HOYJSCNOKCUDJP-IMFGXOCKSA-N	1	1	411.506	1.952	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466692777	1075238915	/nfs/dbraw/zinc/23/89/15/1075238915.db2.gz	TVPIDJPRAYAXRC-MAUKXSAKSA-N	1	1	410.474	1.268	20	0		HDADMO
C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1	ZINC000509359237	1075240685	/nfs/dbraw/zinc/24/06/85/1075240685.db2.gz	QWXRELDKYXGABI-HNNXBMFYSA-N	1	1	410.478	1.013	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)n1	ZINC000441099190	1075245073	/nfs/dbraw/zinc/24/50/73/1075245073.db2.gz	DMSKRGSUCGODCF-KURKYZTESA-N	1	1	413.522	2.150	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)n1	ZINC000441099190	1075245078	/nfs/dbraw/zinc/24/50/78/1075245078.db2.gz	DMSKRGSUCGODCF-KURKYZTESA-N	1	1	413.522	2.150	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CN2CSCC2=O)CC1	ZINC001129035372	1075247085	/nfs/dbraw/zinc/24/70/85/1075247085.db2.gz	RKMUEDKFDYRFBL-UHFFFAOYSA-N	1	1	414.329	1.067	20	0		HDADMO
CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675653192	1075247714	/nfs/dbraw/zinc/24/77/14/1075247714.db2.gz	QGPZDCVYBMBBGH-IBGZPJMESA-N	1	1	412.538	1.625	20	0		HDADMO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c2ccccc2O1	ZINC000675631959	1075248618	/nfs/dbraw/zinc/24/86/18/1075248618.db2.gz	QOIBNIDHNHRSTC-OAHLLOKOSA-N	1	1	422.528	1.534	20	0		HDADMO
Cn1cccc1C(=O)N1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1	ZINC000675655993	1075249988	/nfs/dbraw/zinc/24/99/88/1075249988.db2.gz	JUZAXLPNRDLPQA-ZWKOTPCHSA-N	1	1	403.527	1.136	20	0		HDADMO
O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCN(C(=O)N2CCCCC2)CC1	ZINC000675655900	1075250293	/nfs/dbraw/zinc/25/02/93/1075250293.db2.gz	GULINTXALBQVNH-OALUTQOASA-N	1	1	407.559	1.563	20	0		HDADMO
Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000675700903	1075255948	/nfs/dbraw/zinc/25/59/48/1075255948.db2.gz	SIZSTQDIERUVCJ-SFHVURJKSA-N	1	1	416.570	1.645	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC2CCN(c3nccs3)CC2)CC1	ZINC000466695671	1075256121	/nfs/dbraw/zinc/25/61/21/1075256121.db2.gz	OFIDBBYSHNCYAX-UHFFFAOYSA-N	1	1	422.599	1.698	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC2CCN(c3nccs3)CC2)CC1	ZINC000466695671	1075256125	/nfs/dbraw/zinc/25/61/25/1075256125.db2.gz	OFIDBBYSHNCYAX-UHFFFAOYSA-N	1	1	422.599	1.698	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC[N@@H+]1CCO	ZINC000429373298	1075257367	/nfs/dbraw/zinc/25/73/67/1075257367.db2.gz	RBVMDLLUAKXEIP-INIZCTEOSA-N	1	1	410.540	1.392	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC[N@H+]1CCO	ZINC000429373298	1075257372	/nfs/dbraw/zinc/25/73/72/1075257372.db2.gz	RBVMDLLUAKXEIP-INIZCTEOSA-N	1	1	410.540	1.392	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H](Nc2ccccc2)C1	ZINC000675714224	1075259457	/nfs/dbraw/zinc/25/94/57/1075259457.db2.gz	ZHRGJVVAHCOGJI-SFTDATJTSA-N	1	1	401.555	1.679	20	0		HDADMO
Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000675716879	1075259870	/nfs/dbraw/zinc/25/98/70/1075259870.db2.gz	OFXYWAGSKARJAL-VAMGGRTRSA-N	1	1	405.539	1.986	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccnc(C(=O)OC)c3)CC2)CC1	ZINC000429374981	1075266486	/nfs/dbraw/zinc/26/64/86/1075266486.db2.gz	XRWBVADUSVVNOO-UHFFFAOYSA-N	1	1	402.495	1.275	20	0		HDADMO
C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000675742719	1075267028	/nfs/dbraw/zinc/26/70/28/1075267028.db2.gz	VTBLRPKQQNRPKH-SFHVURJKSA-N	1	1	424.611	1.384	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466697459	1075277161	/nfs/dbraw/zinc/27/71/61/1075277161.db2.gz	QXBCMYXUZOVTTI-YOEHRIQHSA-N	1	1	416.503	1.052	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1	ZINC000675837898	1075280681	/nfs/dbraw/zinc/28/06/81/1075280681.db2.gz	XTGQHZLTYWJHPT-IBGZPJMESA-N	1	1	413.522	1.579	20	0		HDADMO
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000675895869	1075287745	/nfs/dbraw/zinc/28/77/45/1075287745.db2.gz	JQITYTYARQRXDD-VAMGGRTRSA-N	1	1	405.564	1.924	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COCc2nc3ccccc3s2)CC1	ZINC000675916341	1075290818	/nfs/dbraw/zinc/29/08/18/1075290818.db2.gz	GYDIZQNKGGULNM-INIZCTEOSA-N	1	1	402.520	1.578	20	0		HDADMO
COc1ccc(C)cc1NC(=O)CNC(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429383392	1075294612	/nfs/dbraw/zinc/29/46/12/1075294612.db2.gz	YMUVMJPTHKWZEY-KRWDZBQOSA-N	1	1	402.539	1.865	20	0		HDADMO
CS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000675934927	1075296402	/nfs/dbraw/zinc/29/64/02/1075296402.db2.gz	AIMLJPJFZRRGKX-KRWDZBQOSA-N	1	1	414.959	1.002	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C[N@H+]1Cc1ccccc1	ZINC000466706456	1075299812	/nfs/dbraw/zinc/29/98/12/1075299812.db2.gz	WDGGUZRTCMGAHO-APWZRJJASA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1nc(Cc2ccccc2)no1	ZINC000429384483	1075301388	/nfs/dbraw/zinc/30/13/88/1075301388.db2.gz	WBGPFEBCZBKAQQ-FOIQADDNSA-N	1	1	403.483	1.104	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)[nH+]c1	ZINC000480520295	1075302188	/nfs/dbraw/zinc/30/21/88/1075302188.db2.gz	RVNWRGYYUVVTOW-INIZCTEOSA-N	1	1	409.556	1.695	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731294798	1075304865	/nfs/dbraw/zinc/30/48/65/1075304865.db2.gz	OQPMCEWVNWJCNK-HOCLYGCPSA-N	1	1	415.494	1.859	20	0		HDADMO
CCOc1ccc(NC(=O)CN2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000675963922	1075310494	/nfs/dbraw/zinc/31/04/94/1075310494.db2.gz	VNISPVKQZUXYNB-SFHVURJKSA-N	1	1	403.527	1.445	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2noc(-c3cccs3)n2)CC1	ZINC000675967247	1075311495	/nfs/dbraw/zinc/31/14/95/1075311495.db2.gz	CZKAIFYIALNFTH-CYBMUJFWSA-N	1	1	404.496	1.246	20	0		HDADMO
CC(C)CN(C(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000675972501	1075313106	/nfs/dbraw/zinc/31/31/06/1075313106.db2.gz	ONWAMVGTFHUWOU-KRWDZBQOSA-N	1	1	409.552	1.665	20	0		HDADMO
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731351084	1075314246	/nfs/dbraw/zinc/31/42/46/1075314246.db2.gz	LBKYFMXMMIZWRP-KRWDZBQOSA-N	1	1	410.559	1.692	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1	ZINC000675990616	1075315542	/nfs/dbraw/zinc/31/55/42/1075315542.db2.gz	HISKOAJCZJQCFT-PBHICJAKSA-N	1	1	400.445	1.754	20	0		HDADMO
Cc1ccc(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)c1	ZINC000675992408	1075316039	/nfs/dbraw/zinc/31/60/39/1075316039.db2.gz	CFCUFYFJMMGUSU-OAQYLSRUSA-N	1	1	415.582	1.542	20	0		HDADMO
Cc1ccc(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)c1	ZINC000675992407	1075316094	/nfs/dbraw/zinc/31/60/94/1075316094.db2.gz	CFCUFYFJMMGUSU-NRFANRHFSA-N	1	1	415.582	1.542	20	0		HDADMO
CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1	ZINC000731354213	1075317532	/nfs/dbraw/zinc/31/75/32/1075317532.db2.gz	FQPFJDYSZZTFNP-SFHVURJKSA-N	1	1	418.538	1.899	20	0		HDADMO
O=c1[nH]c(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc2c1cnn2-c1ccccc1	ZINC000462858631	1075317672	/nfs/dbraw/zinc/31/76/72/1075317672.db2.gz	WXWUIFDYTOUQHH-QHCPKHFHSA-N	1	1	416.485	2.570	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3ncn(CC(F)(F)F)c3=S)CC2)CC1	ZINC000731354262	1075318322	/nfs/dbraw/zinc/31/83/22/1075318322.db2.gz	KKYNHEIPKKZYHL-UHFFFAOYSA-N	1	1	420.505	1.810	20	0		HDADMO
C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(n2cccn2)CC1	ZINC000731355290	1075319277	/nfs/dbraw/zinc/31/92/77/1075319277.db2.gz	QFJOSPKZYYTCLI-OAHLLOKOSA-N	1	1	405.524	1.798	20	0		HDADMO
CCN(C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1)S(C)(=O)=O	ZINC000731359875	1075320541	/nfs/dbraw/zinc/32/05/41/1075320541.db2.gz	QNDITLAFTXXWCK-UHFFFAOYSA-N	1	1	420.539	1.531	20	0		HDADMO
CCN(C1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1)S(C)(=O)=O	ZINC000731359530	1075320618	/nfs/dbraw/zinc/32/06/18/1075320618.db2.gz	LSSXKNHALYADNI-UHFFFAOYSA-N	1	1	420.539	1.531	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000541447721	1075320746	/nfs/dbraw/zinc/32/07/46/1075320746.db2.gz	AEFFMONLDAXGFA-UHFFFAOYSA-N	1	1	414.510	1.666	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)NCCCNc2ccc(C)c[nH+]2)s1	ZINC000475264785	1075327188	/nfs/dbraw/zinc/32/71/88/1075327188.db2.gz	YKJZEAMJCAGGJU-UHFFFAOYSA-N	1	1	411.553	1.840	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1(O)CCCc2ccccc21	ZINC000731404347	1075331171	/nfs/dbraw/zinc/33/11/71/1075331171.db2.gz	ARYNTAZETRDGIN-SIKLNZKXSA-N	1	1	402.539	1.452	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000676034428	1075331187	/nfs/dbraw/zinc/33/11/87/1075331187.db2.gz	FDLBONYEETYECR-UXHICEINSA-N	1	1	405.587	1.732	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000676034431	1075331217	/nfs/dbraw/zinc/33/12/17/1075331217.db2.gz	FDLBONYEETYECR-WOJBJXKFSA-N	1	1	405.587	1.732	20	0		HDADMO
Cc1noc(C[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c2ccccc2)n1	ZINC000429390156	1075333480	/nfs/dbraw/zinc/33/34/80/1075333480.db2.gz	YEYLJKKDQKMXFF-PXNSSMCTSA-N	1	1	403.483	1.044	20	0		HDADMO
CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@H](C)NC(=O)c3cccc(C)c3)C[C@@H]2C)CC1	ZINC000676056031	1075334673	/nfs/dbraw/zinc/33/46/73/1075334673.db2.gz	QRNIADCCOGNSIP-BBTUJRGHSA-N	1	1	414.550	1.514	20	0		HDADMO
Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)n[nH]1	ZINC000676039387	1075337923	/nfs/dbraw/zinc/33/79/23/1075337923.db2.gz	LKESHCOVHQRAEF-SFHVURJKSA-N	1	1	411.554	1.739	20	0		HDADMO
C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CCOC(C)(C)C	ZINC000676041799	1075338368	/nfs/dbraw/zinc/33/83/68/1075338368.db2.gz	OCUXBOKHLDFVLM-UHFFFAOYSA-N	1	1	400.541	1.833	20	0		HDADMO
CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)CS(=O)(=O)CC(C)C)CC2)cc1	ZINC001273240417	1075345833	/nfs/dbraw/zinc/34/58/33/1075345833.db2.gz	GPZXEEADMBTRGX-UHFFFAOYSA-N	1	1	409.552	1.796	20	0		HDADMO
CS[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000804083722	1075354326	/nfs/dbraw/zinc/35/43/26/1075354326.db2.gz	FABGUMBTQBISND-SJLPKXTDSA-N	1	1	405.568	1.110	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cn1	ZINC000676094377	1075356001	/nfs/dbraw/zinc/35/60/01/1075356001.db2.gz	VMOKRCOXXNHMBG-FQEVSTJZSA-N	1	1	412.538	1.727	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466711162	1075356945	/nfs/dbraw/zinc/35/69/45/1075356945.db2.gz	RNFIIVMISOCZNJ-YJBOKZPZSA-N	1	1	405.462	1.380	20	0		HDADMO
CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c1	ZINC000731470074	1075358547	/nfs/dbraw/zinc/35/85/47/1075358547.db2.gz	MWNQRQGXEPQSFL-HNNXBMFYSA-N	1	1	409.533	1.276	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)c1	ZINC000532545132	1075374686	/nfs/dbraw/zinc/37/46/86/1075374686.db2.gz	AWURBVBGCVFWGP-UHFFFAOYSA-N	1	1	404.474	1.922	20	0		HDADMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804088388	1075379784	/nfs/dbraw/zinc/37/97/84/1075379784.db2.gz	MIBBWSCYSYCTET-VSZNYVQBSA-N	1	1	422.570	1.881	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804088225	1075379830	/nfs/dbraw/zinc/37/98/30/1075379830.db2.gz	BEUHUBOMJNHUNV-AESZEHBQSA-N	1	1	408.543	1.537	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21	ZINC000804089459	1075383193	/nfs/dbraw/zinc/38/31/93/1075383193.db2.gz	BDOHTNCLNLHUTC-ZJPYXAASSA-N	1	1	422.570	1.881	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)n2)cc1	ZINC000480157581	1075397588	/nfs/dbraw/zinc/39/75/88/1075397588.db2.gz	UUVXBZFHYQRLKJ-QFIPXVFZSA-N	1	1	411.506	1.823	20	0		HDADMO
O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676148484	1075399105	/nfs/dbraw/zinc/39/91/05/1075399105.db2.gz	WKIHPBCBFXOYRV-KZNAEPCWSA-N	1	1	414.472	1.805	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCOc3cccc(C=O)c3)cc2)CC1	ZINC000731609718	1075399568	/nfs/dbraw/zinc/39/95/68/1075399568.db2.gz	VVDUWVLAVGAICJ-UHFFFAOYSA-N	1	1	409.486	1.972	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)CC2)C1	ZINC000676151910	1075401048	/nfs/dbraw/zinc/40/10/48/1075401048.db2.gz	YKQNZNMNQLIKEB-VGOFRKELSA-N	1	1	419.570	1.116	20	0		HDADMO
O=C(NCc1nnnn1-c1ccccc1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676151348	1075401694	/nfs/dbraw/zinc/40/16/94/1075401694.db2.gz	LFQBCLDYKWNBRQ-QUCCMNQESA-N	1	1	421.505	1.345	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]3CCC[C@@H](C)C3)n2)cc1	ZINC000426674504	1075403915	/nfs/dbraw/zinc/40/39/15/1075403915.db2.gz	KDHFDWXSXOVCJR-SJORKVTESA-N	1	1	413.522	2.115	20	0		HDADMO
COc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1OC	ZINC001006071599	1075415316	/nfs/dbraw/zinc/41/53/16/1075415316.db2.gz	YBXHBVINQAEQPJ-RKYPPNDESA-N	1	1	401.507	1.906	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)nn1	ZINC000551719294	1075428028	/nfs/dbraw/zinc/42/80/28/1075428028.db2.gz	VAFJLBJEGOSNKK-UHFFFAOYSA-N	1	1	411.506	2.505	20	0		HDADMO
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@H]1CCC[N@H+]1C1CCOCC1	ZINC000676208601	1075429462	/nfs/dbraw/zinc/42/94/62/1075429462.db2.gz	FUIXHQLSVWUXPS-GOSISDBHSA-N	1	1	423.535	1.759	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1	ZINC000731655217	1075439064	/nfs/dbraw/zinc/43/90/64/1075439064.db2.gz	CUHPFHPDTUATTC-INIZCTEOSA-N	1	1	420.941	1.357	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1	ZINC000731655409	1075439104	/nfs/dbraw/zinc/43/91/04/1075439104.db2.gz	KQVBQZKENMPXBI-UHFFFAOYSA-N	1	1	418.538	1.994	20	0		HDADMO
CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000429406176	1075439212	/nfs/dbraw/zinc/43/92/12/1075439212.db2.gz	JQWWRXLEDHLQSG-KRWDZBQOSA-N	1	1	409.552	1.511	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1	ZINC000731655883	1075439808	/nfs/dbraw/zinc/43/98/08/1075439808.db2.gz	UVKVWUPIGMRKPP-UHFFFAOYSA-N	1	1	410.559	1.883	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)s1	ZINC000676242165	1075443072	/nfs/dbraw/zinc/44/30/72/1075443072.db2.gz	RDTYTBIZLWKJJR-DZGCQCFKSA-N	1	1	418.585	1.297	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)s1	ZINC000676242165	1075443077	/nfs/dbraw/zinc/44/30/77/1075443077.db2.gz	RDTYTBIZLWKJJR-DZGCQCFKSA-N	1	1	418.585	1.297	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CN(C)CCO1	ZINC000676243080	1075444223	/nfs/dbraw/zinc/44/42/23/1075444223.db2.gz	HYBBFSXGEIBWHN-IIMDRIAPSA-N	1	1	404.555	1.814	20	0		HDADMO
C[C@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1C[N@H+](C)CCO1	ZINC000676242503	1075444614	/nfs/dbraw/zinc/44/46/14/1075444614.db2.gz	WBJZZBAQZQYZEH-CABZTGNLSA-N	1	1	420.823	1.920	20	0		HDADMO
C[C@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1C[N@@H+](C)CCO1	ZINC000676242503	1075444619	/nfs/dbraw/zinc/44/46/19/1075444619.db2.gz	WBJZZBAQZQYZEH-CABZTGNLSA-N	1	1	420.823	1.920	20	0		HDADMO
COc1cc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc(Br)c1OC	ZINC000676244138	1075445427	/nfs/dbraw/zinc/44/54/27/1075445427.db2.gz	PVQNZPDCZHBPHI-ABAIWWIYSA-N	1	1	416.316	1.985	20	0		HDADMO
COc1cc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(Br)c1OC	ZINC000676244138	1075445431	/nfs/dbraw/zinc/44/54/31/1075445431.db2.gz	PVQNZPDCZHBPHI-ABAIWWIYSA-N	1	1	416.316	1.985	20	0		HDADMO
C[C@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676244218	1075446301	/nfs/dbraw/zinc/44/63/01/1075446301.db2.gz	RVKGKECSFMYTMA-KXBFYZLASA-N	1	1	405.495	1.482	20	0		HDADMO
C[C@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244218	1075446307	/nfs/dbraw/zinc/44/63/07/1075446307.db2.gz	RVKGKECSFMYTMA-KXBFYZLASA-N	1	1	405.495	1.482	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676245039	1075446480	/nfs/dbraw/zinc/44/64/80/1075446480.db2.gz	ZEUNNSJTJJRBTP-YJBOKZPZSA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676245039	1075446481	/nfs/dbraw/zinc/44/64/81/1075446481.db2.gz	ZEUNNSJTJJRBTP-YJBOKZPZSA-N	1	1	412.556	1.033	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2)c1	ZINC000676246310	1075447797	/nfs/dbraw/zinc/44/77/97/1075447797.db2.gz	TYBKASRWJGQDIV-RZQQEMMASA-N	1	1	406.527	1.548	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](CNC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2)c1	ZINC000676246310	1075447804	/nfs/dbraw/zinc/44/78/04/1075447804.db2.gz	TYBKASRWJGQDIV-RZQQEMMASA-N	1	1	406.527	1.548	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000473479768	1075449252	/nfs/dbraw/zinc/44/92/52/1075449252.db2.gz	JPSPLQMUQWADPS-KRWDZBQOSA-N	1	1	404.559	1.777	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676255791	1075450428	/nfs/dbraw/zinc/45/04/28/1075450428.db2.gz	LHUIDLLXXZPNRK-CJNGLKHVSA-N	1	1	405.524	1.974	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676255791	1075450434	/nfs/dbraw/zinc/45/04/34/1075450434.db2.gz	LHUIDLLXXZPNRK-CJNGLKHVSA-N	1	1	405.524	1.974	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257008	1075450922	/nfs/dbraw/zinc/45/09/22/1075450922.db2.gz	WWRLQYVBHLWEBA-CRAIPNDOSA-N	1	1	410.478	1.385	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257008	1075450930	/nfs/dbraw/zinc/45/09/30/1075450930.db2.gz	WWRLQYVBHLWEBA-CRAIPNDOSA-N	1	1	410.478	1.385	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257173	1075451195	/nfs/dbraw/zinc/45/11/95/1075451195.db2.gz	PLIMWXFDFFMSGC-DNVCBOLYSA-N	1	1	405.520	1.344	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257173	1075451200	/nfs/dbraw/zinc/45/12/00/1075451200.db2.gz	PLIMWXFDFFMSGC-DNVCBOLYSA-N	1	1	405.520	1.344	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676256321	1075452004	/nfs/dbraw/zinc/45/20/04/1075452004.db2.gz	BGLJVGZREHYDGM-YJBOKZPZSA-N	1	1	412.556	1.865	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676256321	1075452007	/nfs/dbraw/zinc/45/20/07/1075452007.db2.gz	BGLJVGZREHYDGM-YJBOKZPZSA-N	1	1	412.556	1.865	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257217	1075452065	/nfs/dbraw/zinc/45/20/65/1075452065.db2.gz	QQUGSLFZFLZUPU-GJYPPUQNSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257217	1075452070	/nfs/dbraw/zinc/45/20/70/1075452070.db2.gz	QQUGSLFZFLZUPU-GJYPPUQNSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258144	1075452090	/nfs/dbraw/zinc/45/20/90/1075452090.db2.gz	CUTXYADIWULLIV-MAUKXSAKSA-N	1	1	411.568	1.488	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258144	1075452093	/nfs/dbraw/zinc/45/20/93/1075452093.db2.gz	CUTXYADIWULLIV-MAUKXSAKSA-N	1	1	411.568	1.488	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1	ZINC000676257775	1075452686	/nfs/dbraw/zinc/45/26/86/1075452686.db2.gz	JTFUUOPBMQBFPA-CSMYWGQOSA-N	1	1	412.328	1.852	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1	ZINC000676257775	1075452689	/nfs/dbraw/zinc/45/26/89/1075452689.db2.gz	JTFUUOPBMQBFPA-CSMYWGQOSA-N	1	1	412.328	1.852	20	0		HDADMO
COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)cc1	ZINC000551510103	1075453782	/nfs/dbraw/zinc/45/37/82/1075453782.db2.gz	RLWWJTHTTRKTIR-GOSISDBHSA-N	1	1	408.462	1.634	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676258310	1075453823	/nfs/dbraw/zinc/45/38/23/1075453823.db2.gz	HLXSRUUWAKTNEM-RYQLBKOJSA-N	1	1	420.579	1.774	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258310	1075453825	/nfs/dbraw/zinc/45/38/25/1075453825.db2.gz	HLXSRUUWAKTNEM-RYQLBKOJSA-N	1	1	420.579	1.774	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676258951	1075454301	/nfs/dbraw/zinc/45/43/01/1075454301.db2.gz	GRFTVEDLBRJSRH-VQIMIIECSA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676258951	1075454304	/nfs/dbraw/zinc/45/43/04/1075454304.db2.gz	GRFTVEDLBRJSRH-VQIMIIECSA-N	1	1	409.552	1.619	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258521	1075455234	/nfs/dbraw/zinc/45/52/34/1075455234.db2.gz	CLANDKNMGGTBJP-BJLQDIEVSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258521	1075455238	/nfs/dbraw/zinc/45/52/38/1075455238.db2.gz	CLANDKNMGGTBJP-BJLQDIEVSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259575	1075457000	/nfs/dbraw/zinc/45/70/00/1075457000.db2.gz	XLKSDPWSDUQYKC-KSSFIOAISA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259575	1075457005	/nfs/dbraw/zinc/45/70/05/1075457005.db2.gz	XLKSDPWSDUQYKC-KSSFIOAISA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676259246	1075457840	/nfs/dbraw/zinc/45/78/40/1075457840.db2.gz	SBJXZKNTHADCCC-PFRQMTDMSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259246	1075457843	/nfs/dbraw/zinc/45/78/43/1075457843.db2.gz	SBJXZKNTHADCCC-PFRQMTDMSA-N	1	1	423.579	1.802	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1	ZINC000429410400	1075458010	/nfs/dbraw/zinc/45/80/10/1075458010.db2.gz	TUWCJLLXZDIDBF-UHFFFAOYSA-N	1	1	416.526	2.353	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676260809	1075458225	/nfs/dbraw/zinc/45/82/25/1075458225.db2.gz	HWPUFXUUUMZLMT-ANZKDXPISA-N	1	1	408.543	1.349	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260809	1075458228	/nfs/dbraw/zinc/45/82/28/1075458228.db2.gz	HWPUFXUUUMZLMT-ANZKDXPISA-N	1	1	408.543	1.349	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676264152	1075462335	/nfs/dbraw/zinc/46/23/35/1075462335.db2.gz	LSMJWIONHQEPOY-RISCZKNCSA-N	1	1	424.445	1.368	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676264152	1075462340	/nfs/dbraw/zinc/46/23/40/1075462340.db2.gz	LSMJWIONHQEPOY-RISCZKNCSA-N	1	1	424.445	1.368	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676264150	1075462383	/nfs/dbraw/zinc/46/23/83/1075462383.db2.gz	LSMJWIONHQEPOY-BXUZGUMPSA-N	1	1	424.445	1.368	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676264150	1075462387	/nfs/dbraw/zinc/46/23/87/1075462387.db2.gz	LSMJWIONHQEPOY-BXUZGUMPSA-N	1	1	424.445	1.368	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676248195	1075464889	/nfs/dbraw/zinc/46/48/89/1075464889.db2.gz	PBWGIYAKLQBVLY-MOPGFXCFSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676248195	1075464899	/nfs/dbraw/zinc/46/48/99/1075464899.db2.gz	PBWGIYAKLQBVLY-MOPGFXCFSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676249828	1075466612	/nfs/dbraw/zinc/46/66/12/1075466612.db2.gz	CMMSVTJQWOGWJF-XLIONFOSSA-N	1	1	402.539	1.752	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676249828	1075466619	/nfs/dbraw/zinc/46/66/19/1075466619.db2.gz	CMMSVTJQWOGWJF-XLIONFOSSA-N	1	1	402.539	1.752	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C)[C@@H]3CN(C)CCO3)C2)cc(OC)c1	ZINC000676250056	1075466839	/nfs/dbraw/zinc/46/68/39/1075466839.db2.gz	VIASQGNVGVZRTI-SYNHAJSKSA-N	1	1	406.527	1.296	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H](C)[C@@H]3CN(C)CCO3)C2)cc(OC)c1	ZINC000676250056	1075466843	/nfs/dbraw/zinc/46/68/43/1075466843.db2.gz	VIASQGNVGVZRTI-SYNHAJSKSA-N	1	1	406.527	1.296	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676251570	1075468968	/nfs/dbraw/zinc/46/89/68/1075468968.db2.gz	NKMODCGUUGBYNM-WFASDCNBSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251570	1075468973	/nfs/dbraw/zinc/46/89/73/1075468973.db2.gz	NKMODCGUUGBYNM-WFASDCNBSA-N	1	1	413.316	1.714	20	0		HDADMO
CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434807786	1075469874	/nfs/dbraw/zinc/46/98/74/1075469874.db2.gz	HELGIBMQWAYCGZ-HUUCEWRRSA-N	1	1	400.483	1.980	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252719	1075470555	/nfs/dbraw/zinc/47/05/55/1075470555.db2.gz	SDRXVNACAMPWCI-MAUKXSAKSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252719	1075470559	/nfs/dbraw/zinc/47/05/59/1075470559.db2.gz	SDRXVNACAMPWCI-MAUKXSAKSA-N	1	1	408.930	1.455	20	0		HDADMO
CCn1nc2c(cc1=O)CN([C@@H](C)CC[N@H+]1CCc3nn(CC)c(=O)cc3C1)CC2	ZINC000676252487	1075470614	/nfs/dbraw/zinc/47/06/14/1075470614.db2.gz	OQSSNEMZPHPVGJ-INIZCTEOSA-N	1	1	412.538	1.035	20	0		HDADMO
CCn1nc2c(cc1=O)CN(CC[C@H](C)[N@@H+]1CCc3nn(CC)c(=O)cc3C1)CC2	ZINC000676252487	1075470620	/nfs/dbraw/zinc/47/06/20/1075470620.db2.gz	OQSSNEMZPHPVGJ-INIZCTEOSA-N	1	1	412.538	1.035	20	0		HDADMO
CCn1nc2c(cc1=O)CN(CC[C@H](C)[N@H+]1CCc3nn(CC)c(=O)cc3C1)CC2	ZINC000676252487	1075470624	/nfs/dbraw/zinc/47/06/24/1075470624.db2.gz	OQSSNEMZPHPVGJ-INIZCTEOSA-N	1	1	412.538	1.035	20	0		HDADMO
COc1cccc(Cc2nnc(NC(=O)N(C)C[C@@H]3C[C@H](OC)C[N@@H+]3C)s2)c1	ZINC000436857593	1075474359	/nfs/dbraw/zinc/47/43/59/1075474359.db2.gz	BCMPAVDYMKDCJU-HOCLYGCPSA-N	1	1	405.524	2.320	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277872	1075477535	/nfs/dbraw/zinc/47/75/35/1075477535.db2.gz	CCAFELUCWVNUEJ-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277872	1075477538	/nfs/dbraw/zinc/47/75/38/1075477538.db2.gz	CCAFELUCWVNUEJ-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676277622	1075478188	/nfs/dbraw/zinc/47/81/88/1075478188.db2.gz	AYGUCNZYKKBTCD-YGRLFVJLSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277622	1075478196	/nfs/dbraw/zinc/47/81/96/1075478196.db2.gz	AYGUCNZYKKBTCD-YGRLFVJLSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278996	1075479142	/nfs/dbraw/zinc/47/91/42/1075479142.db2.gz	LFKLLHHMRUXTLQ-KXBFYZLASA-N	1	1	407.474	1.775	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278996	1075479146	/nfs/dbraw/zinc/47/91/46/1075479146.db2.gz	LFKLLHHMRUXTLQ-KXBFYZLASA-N	1	1	407.474	1.775	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278854	1075480205	/nfs/dbraw/zinc/48/02/05/1075480205.db2.gz	LFXIZZSBEJAHIA-BXWFABGCSA-N	1	1	416.522	1.475	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278854	1075480207	/nfs/dbraw/zinc/48/02/07/1075480207.db2.gz	LFXIZZSBEJAHIA-BXWFABGCSA-N	1	1	416.522	1.475	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676278495	1075481015	/nfs/dbraw/zinc/48/10/15/1075481015.db2.gz	IVCGQPLLYVVREI-CXAGYDPISA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278495	1075481016	/nfs/dbraw/zinc/48/10/16/1075481016.db2.gz	IVCGQPLLYVVREI-CXAGYDPISA-N	1	1	422.913	1.350	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1NC(=O)c1ccco1	ZINC000676278410	1075481497	/nfs/dbraw/zinc/48/14/97/1075481497.db2.gz	HMRGXPBABWWSCN-RDTXWAMCSA-N	1	1	414.462	1.614	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1NC(=O)c1ccco1	ZINC000676278410	1075481507	/nfs/dbraw/zinc/48/15/07/1075481507.db2.gz	HMRGXPBABWWSCN-RDTXWAMCSA-N	1	1	414.462	1.614	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12)[C@@H]1C[N@H+](C)CCO1	ZINC000676279626	1075483900	/nfs/dbraw/zinc/48/39/00/1075483900.db2.gz	DXGJUTIFUIBJNF-NHYWBVRUSA-N	1	1	408.405	1.610	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279626	1075483902	/nfs/dbraw/zinc/48/39/02/1075483902.db2.gz	DXGJUTIFUIBJNF-NHYWBVRUSA-N	1	1	408.405	1.610	20	0		HDADMO
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676279495	1075483950	/nfs/dbraw/zinc/48/39/50/1075483950.db2.gz	OLNRSTMJDRSZTQ-GUYCJALGSA-N	1	1	424.929	1.594	20	0		HDADMO
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676279495	1075483954	/nfs/dbraw/zinc/48/39/54/1075483954.db2.gz	OLNRSTMJDRSZTQ-GUYCJALGSA-N	1	1	424.929	1.594	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280216	1075485010	/nfs/dbraw/zinc/48/50/10/1075485010.db2.gz	IITYTBSGRXWIGV-DYVFJYSZSA-N	1	1	413.503	1.837	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280216	1075485016	/nfs/dbraw/zinc/48/50/16/1075485016.db2.gz	IITYTBSGRXWIGV-DYVFJYSZSA-N	1	1	413.503	1.837	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676282262	1075489708	/nfs/dbraw/zinc/48/97/08/1075489708.db2.gz	ZTHDGWKNMRJHKB-KXBFYZLASA-N	1	1	416.522	1.979	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282262	1075489720	/nfs/dbraw/zinc/48/97/20/1075489720.db2.gz	ZTHDGWKNMRJHKB-KXBFYZLASA-N	1	1	416.522	1.979	20	0		HDADMO
C[NH+](C)CCOc1cc(C(=O)N2CCC(CCCN3CCOCC3)CC2)ccn1	ZINC000509400747	1075489903	/nfs/dbraw/zinc/48/99/03/1075489903.db2.gz	CRIDFUSGUNKDAI-UHFFFAOYSA-N	1	1	404.555	1.987	20	0		HDADMO
C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1C[N@H+](C)CCO1	ZINC000676307352	1075493174	/nfs/dbraw/zinc/49/31/74/1075493174.db2.gz	PBJLLPNUAZIIJZ-BZNIZROVSA-N	1	1	401.410	1.877	20	0		HDADMO
C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307352	1075493177	/nfs/dbraw/zinc/49/31/77/1075493177.db2.gz	PBJLLPNUAZIIJZ-BZNIZROVSA-N	1	1	401.410	1.877	20	0		HDADMO
CN(CCCOc1cccc(S(C)(=O)=O)c1)c1nc(N2CCOCC2)cc[nH+]1	ZINC000676309478	1075493664	/nfs/dbraw/zinc/49/36/64/1075493664.db2.gz	XIKWGYICTACZAF-UHFFFAOYSA-N	1	1	406.508	1.622	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000676296993	1075499733	/nfs/dbraw/zinc/49/97/33/1075499733.db2.gz	IPRXDHFTJVKAIZ-UYAOXDASSA-N	1	1	401.555	1.312	20	0		HDADMO
C[C@@H](CNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C[NH+]1CCOCC1	ZINC000676302124	1075501429	/nfs/dbraw/zinc/50/14/29/1075501429.db2.gz	VCBPZEAJYVZBMI-JTQLQIEISA-N	1	1	414.375	1.530	20	0		HDADMO
CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676304055	1075501964	/nfs/dbraw/zinc/50/19/64/1075501964.db2.gz	JIKMZHQGPPYOKE-VQIMIIECSA-N	1	1	404.511	1.272	20	0		HDADMO
CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676304055	1075501969	/nfs/dbraw/zinc/50/19/69/1075501969.db2.gz	JIKMZHQGPPYOKE-VQIMIIECSA-N	1	1	404.511	1.272	20	0		HDADMO
O=C(COc1ccc(F)cc1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676305895	1075503154	/nfs/dbraw/zinc/50/31/54/1075503154.db2.gz	FDFWPDHAWGOWJA-UHFFFAOYSA-N	1	1	401.442	1.180	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676305551	1075503490	/nfs/dbraw/zinc/50/34/90/1075503490.db2.gz	QHWHZVAYMDZEBF-JGGQBBKZSA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676305551	1075503493	/nfs/dbraw/zinc/50/34/93/1075503493.db2.gz	QHWHZVAYMDZEBF-JGGQBBKZSA-N	1	1	405.417	1.463	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)cc[nH+]2)C1	ZINC000676310819	1075509030	/nfs/dbraw/zinc/50/90/30/1075509030.db2.gz	DOVULYNJJGEQQY-CQSZACIVSA-N	1	1	401.433	1.940	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1	ZINC000543669886	1075510547	/nfs/dbraw/zinc/51/05/47/1075510547.db2.gz	LMFKADVDVGZZRN-VAMGGRTRSA-N	1	1	418.513	1.994	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000731754704	1075511839	/nfs/dbraw/zinc/51/18/39/1075511839.db2.gz	AHUBOKSWIZLKOA-HUUCEWRRSA-N	1	1	412.487	1.350	20	0		HDADMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000731755735	1075512455	/nfs/dbraw/zinc/51/24/55/1075512455.db2.gz	BIBUZKZAVWLZSI-BBWFWOEESA-N	1	1	402.605	1.161	20	0		HDADMO
CN1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)c2)CC1	ZINC000509405277	1075513175	/nfs/dbraw/zinc/51/31/75/1075513175.db2.gz	QOYKUXDLWYOENT-NRFANRHFSA-N	1	1	410.518	1.092	20	0		HDADMO
COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)[NH+](C)C	ZINC000605994778	1075515487	/nfs/dbraw/zinc/51/54/87/1075515487.db2.gz	OTLIAOWKKPNGRT-GOSISDBHSA-N	1	1	422.489	1.693	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC2)oc1C	ZINC000574729184	1075515767	/nfs/dbraw/zinc/51/57/67/1075515767.db2.gz	OGJXKUGEAIWROG-UHFFFAOYSA-N	1	1	414.510	1.869	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)CC2	ZINC000676347011	1075519536	/nfs/dbraw/zinc/51/95/36/1075519536.db2.gz	FXYXDRSNEXJIAQ-QRWLVFNGSA-N	1	1	419.522	1.204	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)CC2	ZINC000676347011	1075519540	/nfs/dbraw/zinc/51/95/40/1075519540.db2.gz	FXYXDRSNEXJIAQ-QRWLVFNGSA-N	1	1	419.522	1.204	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676346654	1075519785	/nfs/dbraw/zinc/51/97/85/1075519785.db2.gz	DFOKLEPEXKXLQX-XUJVJEKNSA-N	1	1	423.457	1.208	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676346654	1075519787	/nfs/dbraw/zinc/51/97/87/1075519787.db2.gz	DFOKLEPEXKXLQX-XUJVJEKNSA-N	1	1	423.457	1.208	20	0		HDADMO
C[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@H]1C[N@H+](C)CCO1	ZINC000676346591	1075519860	/nfs/dbraw/zinc/51/98/60/1075519860.db2.gz	BHPZEDRYCJPRHU-BLLLJJGKSA-N	1	1	404.492	1.479	20	0		HDADMO
C[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@H]1C[N@@H+](C)CCO1	ZINC000676346591	1075519865	/nfs/dbraw/zinc/51/98/65/1075519865.db2.gz	BHPZEDRYCJPRHU-BLLLJJGKSA-N	1	1	404.492	1.479	20	0		HDADMO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676332377	1075523048	/nfs/dbraw/zinc/52/30/48/1075523048.db2.gz	CFDGAGUROGJETM-YSGRDPCXSA-N	1	1	400.523	1.687	20	0		HDADMO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332377	1075523055	/nfs/dbraw/zinc/52/30/55/1075523055.db2.gz	CFDGAGUROGJETM-YSGRDPCXSA-N	1	1	400.523	1.687	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1Cl	ZINC000731826645	1075524944	/nfs/dbraw/zinc/52/49/44/1075524944.db2.gz	HHRUKMKBBJXNRE-AWEZNQCLSA-N	1	1	417.959	1.509	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1	ZINC000731827281	1075525264	/nfs/dbraw/zinc/52/52/64/1075525264.db2.gz	WHPHAAJVIFWFJV-QMHKHESXSA-N	1	1	424.501	1.132	20	0		HDADMO
CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1	ZINC000731827064	1075525632	/nfs/dbraw/zinc/52/56/32/1075525632.db2.gz	RMIOGHDWRKVACK-HNNXBMFYSA-N	1	1	419.551	1.548	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCc2cccc(OCCOC)c2)CC1	ZINC000676368296	1075526270	/nfs/dbraw/zinc/52/62/70/1075526270.db2.gz	ZGPUWHPHRXVVFL-UHFFFAOYSA-N	1	1	417.510	1.525	20	0		HDADMO
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)C1=O	ZINC000731844071	1075529299	/nfs/dbraw/zinc/52/92/99/1075529299.db2.gz	IXYFTTIMHJQUBE-FCHUYYIVSA-N	1	1	410.474	1.372	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1	ZINC000731846965	1075531034	/nfs/dbraw/zinc/53/10/34/1075531034.db2.gz	DSTFLBNYPPSHQX-GOSISDBHSA-N	1	1	400.523	1.704	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1	ZINC000731846965	1075531035	/nfs/dbraw/zinc/53/10/35/1075531035.db2.gz	DSTFLBNYPPSHQX-GOSISDBHSA-N	1	1	400.523	1.704	20	0		HDADMO
C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731846874	1075531420	/nfs/dbraw/zinc/53/14/20/1075531420.db2.gz	QOLLIAQMVXUNNO-HNNXBMFYSA-N	1	1	407.946	1.938	20	0		HDADMO
C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676358327	1075531832	/nfs/dbraw/zinc/53/18/32/1075531832.db2.gz	DITRZPRLIVGJGP-SLYNCCJLSA-N	1	1	402.539	1.427	20	0		HDADMO
CCCOc1cccc(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000676359232	1075532207	/nfs/dbraw/zinc/53/22/07/1075532207.db2.gz	MNPOQRROBYILLP-HXUWFJFHSA-N	1	1	404.555	1.724	20	0		HDADMO
C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1	ZINC000731852322	1075534411	/nfs/dbraw/zinc/53/44/11/1075534411.db2.gz	NRIDFZIYLYTZMY-ZFWWWQNUSA-N	1	1	415.943	1.479	20	0		HDADMO
C[N@H+]1CC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1	ZINC000731852421	1075534458	/nfs/dbraw/zinc/53/44/58/1075534458.db2.gz	PMRXIGQDXVFFOY-CYBMUJFWSA-N	1	1	400.932	1.204	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000676379175	1075537760	/nfs/dbraw/zinc/53/77/60/1075537760.db2.gz	MVARACZSFUODEW-UHFFFAOYSA-N	1	1	414.547	1.028	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000676379175	1075537763	/nfs/dbraw/zinc/53/77/63/1075537763.db2.gz	MVARACZSFUODEW-UHFFFAOYSA-N	1	1	414.547	1.028	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000676379175	1075537766	/nfs/dbraw/zinc/53/77/66/1075537766.db2.gz	MVARACZSFUODEW-UHFFFAOYSA-N	1	1	414.547	1.028	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccn(CC(F)F)n2)cc1F	ZINC000444502573	1075541882	/nfs/dbraw/zinc/54/18/82/1075541882.db2.gz	QBPNTOYRFAQAQF-UHFFFAOYSA-N	1	1	406.368	2.036	20	0		HDADMO
CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccn1	ZINC000676406840	1075545085	/nfs/dbraw/zinc/54/50/85/1075545085.db2.gz	ZGPZQJPQBUNIGG-IEBWSBKVSA-N	1	1	417.554	1.114	20	0		HDADMO
CC[C@H](CO)[NH+]1CCN(C(=O)CSc2nncn2-c2ccc(OC)cc2)CC1	ZINC000676408217	1075545091	/nfs/dbraw/zinc/54/50/91/1075545091.db2.gz	PCQGKYRIECCTHQ-OAHLLOKOSA-N	1	1	405.524	1.283	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CN3C(=O)N[C@@H](CCOC(C)(C)C)C3=O)cc2)CC1	ZINC000804145409	1075546471	/nfs/dbraw/zinc/54/64/71/1075546471.db2.gz	NZNBIJUHXMKNBQ-SFHVURJKSA-N	1	1	416.522	1.700	20	0		HDADMO
COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)C2=O)cc1	ZINC000731842676	1075546594	/nfs/dbraw/zinc/54/65/94/1075546594.db2.gz	IJMWEIAXEXLUQG-OAQYLSRUSA-N	1	1	420.510	1.224	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N(CC(C)(C)O)C3CC3)c2)CC1	ZINC000429434940	1075551085	/nfs/dbraw/zinc/55/10/85/1075551085.db2.gz	YFJYHXYOLORMCL-UHFFFAOYSA-N	1	1	424.567	1.780	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N(CC(C)(C)O)C3CC3)c2)CC1	ZINC000429434940	1075551091	/nfs/dbraw/zinc/55/10/91/1075551091.db2.gz	YFJYHXYOLORMCL-UHFFFAOYSA-N	1	1	424.567	1.780	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1	ZINC000731881859	1075553060	/nfs/dbraw/zinc/55/30/60/1075553060.db2.gz	HFXUBJRWEJAWJR-UHFFFAOYSA-N	1	1	418.357	1.867	20	0		HDADMO
COc1ccc(C2(CNC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)CCC2)cc1	ZINC000676436703	1075553207	/nfs/dbraw/zinc/55/32/07/1075553207.db2.gz	LDCXZLAYRNAKLU-QGZVFWFLSA-N	1	1	417.550	1.537	20	0		HDADMO
COc1ccc(C2(CNC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)CCC2)cc1	ZINC000676436703	1075553210	/nfs/dbraw/zinc/55/32/10/1075553210.db2.gz	LDCXZLAYRNAKLU-QGZVFWFLSA-N	1	1	417.550	1.537	20	0		HDADMO
C[C@@H](c1cc(F)ccc1N1CC[NH+](C)CC1)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O	ZINC000804154302	1075555559	/nfs/dbraw/zinc/55/55/59/1075555559.db2.gz	RIOJBMQDMXFTPN-GUYCJALGSA-N	1	1	400.458	1.525	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](n2ccnc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000676477621	1075560667	/nfs/dbraw/zinc/56/06/67/1075560667.db2.gz	JRXMVXWHKUMPDJ-SFHVURJKSA-N	1	1	417.535	1.053	20	0		HDADMO
CCn1nc(NC(=O)C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1C1CC1	ZINC000469235121	1075569868	/nfs/dbraw/zinc/56/98/68/1075569868.db2.gz	ALEDMQHTGZKALO-UHFFFAOYSA-N	1	1	411.510	1.911	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)O[C@@H](C)C2	ZINC000676501860	1075570638	/nfs/dbraw/zinc/57/06/38/1075570638.db2.gz	WBMOZMNTYFZXNL-YJBOKZPZSA-N	1	1	402.539	1.986	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)O[C@@H](C)C2	ZINC000676501860	1075570646	/nfs/dbraw/zinc/57/06/46/1075570646.db2.gz	WBMOZMNTYFZXNL-YJBOKZPZSA-N	1	1	402.539	1.986	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1	ZINC000731918941	1075571547	/nfs/dbraw/zinc/57/15/47/1075571547.db2.gz	AZRNAVNOTHOLOG-UHFFFAOYSA-N	1	1	424.519	1.658	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)CCO2	ZINC000676522961	1075574341	/nfs/dbraw/zinc/57/43/41/1075574341.db2.gz	SKHWHSJRLMZPOM-QAPCUYQASA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CCO2	ZINC000676522961	1075574344	/nfs/dbraw/zinc/57/43/44/1075574344.db2.gz	SKHWHSJRLMZPOM-QAPCUYQASA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC[C@H]3C[N@@H+](C)CC[C@@H]31)CCO2	ZINC000676513594	1075575008	/nfs/dbraw/zinc/57/50/08/1075575008.db2.gz	QHNNUPMRIPZZMJ-IPELMVKDSA-N	1	1	401.507	1.968	20	0		HDADMO
COC(=O)Nc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1	ZINC000731976471	1075581698	/nfs/dbraw/zinc/58/16/98/1075581698.db2.gz	YHVJXGZTEMMNJM-KRWDZBQOSA-N	1	1	404.467	1.517	20	0		HDADMO
CN1CCCc2cc(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21	ZINC000731979687	1075582267	/nfs/dbraw/zinc/58/22/67/1075582267.db2.gz	LFUDPORIRIVYME-FQEVSTJZSA-N	1	1	400.523	1.721	20	0		HDADMO
CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000676550537	1075583157	/nfs/dbraw/zinc/58/31/57/1075583157.db2.gz	KVCSWCONTDUMKP-ROUUACIJSA-N	1	1	404.559	1.667	20	0		HDADMO
CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1=O	ZINC000732002540	1075584453	/nfs/dbraw/zinc/58/44/53/1075584453.db2.gz	UQCBZLKNEYIQDT-KRWDZBQOSA-N	1	1	408.502	1.820	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000439589841	1075585606	/nfs/dbraw/zinc/58/56/06/1075585606.db2.gz	QTBNVMWPVAVFNS-CYBMUJFWSA-N	1	1	422.411	1.920	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000676556476	1075588536	/nfs/dbraw/zinc/58/85/36/1075588536.db2.gz	RRXPSJBPWKCVHF-UZLBHIALSA-N	1	1	408.506	1.740	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000509423111	1075589638	/nfs/dbraw/zinc/58/96/38/1075589638.db2.gz	DSCGPQOCNYWABP-OAHLLOKOSA-N	1	1	415.581	1.480	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2nnc(/C=C\c3ccco3)s2)CC1	ZINC000486938442	1075591063	/nfs/dbraw/zinc/59/10/63/1075591063.db2.gz	CHDVPBALFSBJCP-WAYWQWQTSA-N	1	1	404.496	1.929	20	0		HDADMO
CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732033108	1075592144	/nfs/dbraw/zinc/59/21/44/1075592144.db2.gz	AYTZDKHKOIKYBT-OAHLLOKOSA-N	1	1	411.499	1.155	20	0		HDADMO
Cc1nccn1-c1ncccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000732058519	1075597024	/nfs/dbraw/zinc/59/70/24/1075597024.db2.gz	AWTVLAIHBPRJPE-GOSISDBHSA-N	1	1	412.494	1.228	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1sccc1S(=O)(=O)N(C)C	ZINC000732061873	1075598311	/nfs/dbraw/zinc/59/83/11/1075598311.db2.gz	PDGFGMMMGURUBR-UHFFFAOYSA-N	1	1	405.505	1.818	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC3(OC)CCOCC3)C2)cc(OC)c1	ZINC000676574101	1075599610	/nfs/dbraw/zinc/59/96/10/1075599610.db2.gz	GVOBHPLUBYHHHD-KRWDZBQOSA-N	1	1	407.511	1.773	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC3(OC)CCOCC3)C2)cc(OC)c1	ZINC000676574101	1075599616	/nfs/dbraw/zinc/59/96/16/1075599616.db2.gz	GVOBHPLUBYHHHD-KRWDZBQOSA-N	1	1	407.511	1.773	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1nc2ccccc2s1	ZINC000804171210	1075602189	/nfs/dbraw/zinc/60/21/89/1075602189.db2.gz	FAWFUUGHMVGBOK-KBPBESRZSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1nc2ccccc2s1	ZINC000804171210	1075602190	/nfs/dbraw/zinc/60/21/90/1075602190.db2.gz	FAWFUUGHMVGBOK-KBPBESRZSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1	ZINC000484150327	1075603638	/nfs/dbraw/zinc/60/36/38/1075603638.db2.gz	YAKBFINFFJJABW-CQSZACIVSA-N	1	1	404.902	1.766	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)[NH+]2CCCC2)o1	ZINC000804176286	1075603646	/nfs/dbraw/zinc/60/36/46/1075603646.db2.gz	JFBDESQFHZWLHG-IAGOWNOFSA-N	1	1	405.495	1.643	20	0		HDADMO
CN(CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C	ZINC000804178673	1075606127	/nfs/dbraw/zinc/60/61/27/1075606127.db2.gz	UYADVOSEADWDJY-GOSISDBHSA-N	1	1	418.538	1.608	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CC[N@H+](C2CCC2)C1	ZINC000645675208	1075609010	/nfs/dbraw/zinc/60/90/10/1075609010.db2.gz	SYBRTULEGOCQGA-AWEZNQCLSA-N	1	1	400.458	1.678	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C[N@@H+]1Cc1ccccc1	ZINC000441083882	1075609115	/nfs/dbraw/zinc/60/91/15/1075609115.db2.gz	HTLJLGSALIPPQU-CABCVRRESA-N	1	1	423.439	2.505	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C[N@H+]1Cc1ccccc1	ZINC000441083882	1075609119	/nfs/dbraw/zinc/60/91/19/1075609119.db2.gz	HTLJLGSALIPPQU-CABCVRRESA-N	1	1	423.439	2.505	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)[NH+]2CCCC2)o1	ZINC000804179215	1075609984	/nfs/dbraw/zinc/60/99/84/1075609984.db2.gz	XTWJOFIFTRILSW-WBVHZDCISA-N	1	1	407.511	1.747	20	0		HDADMO
CC(C)(CO)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000676606291	1075611191	/nfs/dbraw/zinc/61/11/91/1075611191.db2.gz	KCALCCYBODTKLB-SFTDATJTSA-N	1	1	418.582	1.494	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000804180737	1075611469	/nfs/dbraw/zinc/61/14/69/1075611469.db2.gz	UANFUYDPVIEXKL-HOTGVXAUSA-N	1	1	410.559	1.739	20	0		HDADMO
C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000676594449	1075612512	/nfs/dbraw/zinc/61/25/12/1075612512.db2.gz	UCTTXBMMIVLASX-MSOLQXFVSA-N	1	1	417.554	1.522	20	0		HDADMO
Cn1ccc(NC(=O)Cc2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)n1	ZINC000569050385	1075612551	/nfs/dbraw/zinc/61/25/51/1075612551.db2.gz	ANXIMIKAXYCEKS-VGOFRKELSA-N	1	1	406.490	2.538	20	0		HDADMO
O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc2c(cnn2C(F)F)c1	ZINC000676618042	1075617875	/nfs/dbraw/zinc/61/78/75/1075617875.db2.gz	NMSSYCJBLLWLRR-OAHLLOKOSA-N	1	1	409.437	1.723	20	0		HDADMO
CN(C)c1nc(N)nc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1	ZINC000576969785	1075619332	/nfs/dbraw/zinc/61/93/32/1075619332.db2.gz	SBIMZDZKRHMDSN-UHFFFAOYSA-N	1	1	417.517	2.067	20	0		HDADMO
C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000732091047	1075625713	/nfs/dbraw/zinc/62/57/13/1075625713.db2.gz	ZBYKECKWFMFVFN-CRAIPNDOSA-N	1	1	400.483	1.667	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000732091047	1075625717	/nfs/dbraw/zinc/62/57/17/1075625717.db2.gz	ZBYKECKWFMFVFN-CRAIPNDOSA-N	1	1	400.483	1.667	20	0		HDADMO
COc1cccc(CCCNC(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1	ZINC000443424272	1075633171	/nfs/dbraw/zinc/63/31/71/1075633171.db2.gz	GGBBAHYVSXOULS-QGZVFWFLSA-N	1	1	414.510	1.622	20	0		HDADMO
COc1cccc(CCCNC(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1	ZINC000443424272	1075633175	/nfs/dbraw/zinc/63/31/75/1075633175.db2.gz	GGBBAHYVSXOULS-QGZVFWFLSA-N	1	1	414.510	1.622	20	0		HDADMO
COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)c1	ZINC000508545753	1075635764	/nfs/dbraw/zinc/63/57/64/1075635764.db2.gz	QDYXJPMLDNYPRB-OAHLLOKOSA-N	1	1	423.521	1.780	20	0		HDADMO
CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCc3nc(N)n[nH]3)c2c1C	ZINC000590567620	1075648173	/nfs/dbraw/zinc/64/81/73/1075648173.db2.gz	CUOKLAFTSPBIAQ-UHFFFAOYSA-N	1	1	404.500	1.593	20	0		HDADMO
COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000732149872	1075649429	/nfs/dbraw/zinc/64/94/29/1075649429.db2.gz	SLIGJUCGZHSULF-RBSFLKMASA-N	1	1	404.511	1.274	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1	ZINC000732150154	1075650625	/nfs/dbraw/zinc/65/06/25/1075650625.db2.gz	YVKXZCGAXXALLG-MJGOQNOKSA-N	1	1	415.538	1.325	20	0		HDADMO
C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732190146	1075655859	/nfs/dbraw/zinc/65/58/59/1075655859.db2.gz	IJBBXALISWSYRU-SJLPKXTDSA-N	1	1	412.490	1.830	20	0		HDADMO
C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732190146	1075655863	/nfs/dbraw/zinc/65/58/63/1075655863.db2.gz	IJBBXALISWSYRU-SJLPKXTDSA-N	1	1	412.490	1.830	20	0		HDADMO
O=C([C@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1)N1CCCC1	ZINC000732191960	1075655915	/nfs/dbraw/zinc/65/59/15/1075655915.db2.gz	VJSNMDCPOUGLQB-HNNXBMFYSA-N	1	1	418.519	1.373	20	0		HDADMO
O=C([C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1)N1CCCC1	ZINC000732191960	1075655917	/nfs/dbraw/zinc/65/59/17/1075655917.db2.gz	VJSNMDCPOUGLQB-HNNXBMFYSA-N	1	1	418.519	1.373	20	0		HDADMO
C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676729499	1075662582	/nfs/dbraw/zinc/66/25/82/1075662582.db2.gz	HYOVSYNCBDDFNE-FUHWJXTLSA-N	1	1	400.523	1.140	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1	ZINC000732207254	1075665464	/nfs/dbraw/zinc/66/54/64/1075665464.db2.gz	NYQCXLMBFOGBOX-HZPDHXFCSA-N	1	1	412.490	1.995	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000509432052	1075668239	/nfs/dbraw/zinc/66/82/39/1075668239.db2.gz	PCJBTXXGFSCISF-RYUDHWBXSA-N	1	1	410.540	1.556	20	0		HDADMO
CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732214746	1075669909	/nfs/dbraw/zinc/66/99/09/1075669909.db2.gz	VKJGAGJTZXBOMR-PGRDOPGGSA-N	1	1	413.522	1.129	20	0		HDADMO
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000732218189	1075672917	/nfs/dbraw/zinc/67/29/17/1075672917.db2.gz	XISSESVAGDABMU-UHFFFAOYSA-N	1	1	406.508	1.710	20	0		HDADMO
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000732218189	1075672920	/nfs/dbraw/zinc/67/29/20/1075672920.db2.gz	XISSESVAGDABMU-UHFFFAOYSA-N	1	1	406.508	1.710	20	0		HDADMO
CN(Cc1nc(N)nc(Nc2ccc(F)cc2)n1)CC(C)(C)C[NH+]1CCOCC1	ZINC000443639919	1075673407	/nfs/dbraw/zinc/67/34/07/1075673407.db2.gz	HOKNDHDZVWLJIL-UHFFFAOYSA-N	1	1	403.506	2.127	20	0		HDADMO
CC(C)N1CC[C@@H]([N@@H+](C)CCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O	ZINC001036603422	1075673781	/nfs/dbraw/zinc/67/37/81/1075673781.db2.gz	JWBSXRCMDAVTKZ-ZPLOVTKXSA-N	1	1	403.567	1.980	20	0		HDADMO
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1	ZINC000507208648	1075677105	/nfs/dbraw/zinc/67/71/05/1075677105.db2.gz	IHDHHSKWBHPIQU-FQEVSTJZSA-N	1	1	409.490	1.971	20	0		HDADMO
C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000429464253	1075678553	/nfs/dbraw/zinc/67/85/53/1075678553.db2.gz	DPTVLQHXOXBPEP-RBUKOAKNSA-N	1	1	415.582	1.609	20	0		HDADMO
C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000429464253	1075678555	/nfs/dbraw/zinc/67/85/55/1075678555.db2.gz	DPTVLQHXOXBPEP-RBUKOAKNSA-N	1	1	415.582	1.609	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc(Br)cc2F)C1	ZINC000732246610	1075679429	/nfs/dbraw/zinc/67/94/29/1075679429.db2.gz	VVSHSDOZJSLJGS-ZDUSSCGKSA-N	1	1	415.307	1.975	20	0		HDADMO
Cc1nn(C)c2nc(Cl)c(C[NH2+]CCS(=O)(=O)NC[C@H]3CCCCO3)cc12	ZINC000732231421	1075684702	/nfs/dbraw/zinc/68/47/02/1075684702.db2.gz	VKEKKHFNXMZPNY-CQSZACIVSA-N	1	1	415.947	1.508	20	0		HDADMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1	ZINC000425996168	1075686169	/nfs/dbraw/zinc/68/61/69/1075686169.db2.gz	OJAWWVAHBJFTCT-GOEBONIOSA-N	1	1	401.540	1.787	20	0		HDADMO
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426155102	1075690354	/nfs/dbraw/zinc/69/03/54/1075690354.db2.gz	VTDNGNJYPHOXOQ-NWDGAFQWSA-N	1	1	409.416	1.681	20	0		HDADMO
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000426155102	1075690358	/nfs/dbraw/zinc/69/03/58/1075690358.db2.gz	VTDNGNJYPHOXOQ-NWDGAFQWSA-N	1	1	409.416	1.681	20	0		HDADMO
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426155103	1075690664	/nfs/dbraw/zinc/69/06/64/1075690664.db2.gz	VTDNGNJYPHOXOQ-RYUDHWBXSA-N	1	1	409.416	1.681	20	0		HDADMO
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426155103	1075690668	/nfs/dbraw/zinc/69/06/68/1075690668.db2.gz	VTDNGNJYPHOXOQ-RYUDHWBXSA-N	1	1	409.416	1.681	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C	ZINC000804216971	1075691351	/nfs/dbraw/zinc/69/13/51/1075691351.db2.gz	RKYGXZAPWXVZQS-ULQDDVLXSA-N	1	1	412.575	1.985	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@H]3C)C1)CC2	ZINC000429464646	1075692570	/nfs/dbraw/zinc/69/25/70/1075692570.db2.gz	BBLGPCBDFHFCDC-ZTFGCOKTSA-N	1	1	416.522	1.370	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@H]3C)C1)CC2	ZINC000429464646	1075692576	/nfs/dbraw/zinc/69/25/76/1075692576.db2.gz	BBLGPCBDFHFCDC-ZTFGCOKTSA-N	1	1	416.522	1.370	20	0		HDADMO
CCn1nccc1N1CCC[C@@H](Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1=O	ZINC000477953046	1075694558	/nfs/dbraw/zinc/69/45/58/1075694558.db2.gz	ADJZDSZKFFFSEK-CYBMUJFWSA-N	1	1	411.466	1.475	20	0		HDADMO
COc1ncccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21	ZINC001084995959	1075695079	/nfs/dbraw/zinc/69/50/79/1075695079.db2.gz	JSLRZWDRTBJTQB-QDGKJQRMSA-N	1	1	401.507	1.565	20	0		HDADMO
COc1ncccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21	ZINC001084995959	1075695080	/nfs/dbraw/zinc/69/50/80/1075695080.db2.gz	JSLRZWDRTBJTQB-QDGKJQRMSA-N	1	1	401.507	1.565	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCS1	ZINC000509438158	1075695371	/nfs/dbraw/zinc/69/53/71/1075695371.db2.gz	LUHYRESHHOXHTD-AZUAARDMSA-N	1	1	418.607	1.913	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@H]2C1	ZINC001084996526	1075696347	/nfs/dbraw/zinc/69/63/47/1075696347.db2.gz	MGXRUANOPOEFJO-LLVBAIKDSA-N	1	1	400.519	1.653	20	0		HDADMO
COc1coc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)cc1=O	ZINC001084992431	1075697109	/nfs/dbraw/zinc/69/71/09/1075697109.db2.gz	ZJUGUFQQSTYCSU-QDVSPLAXSA-N	1	1	402.491	1.886	20	0		HDADMO
COc1coc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)cc1=O	ZINC001084992431	1075697111	/nfs/dbraw/zinc/69/71/11/1075697111.db2.gz	ZJUGUFQQSTYCSU-QDVSPLAXSA-N	1	1	402.491	1.886	20	0		HDADMO
Cn1nnc2cc(C[N@H+]3CC[C@@H]4CCN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)C[C@@H]43)ccc21	ZINC001084992707	1075697867	/nfs/dbraw/zinc/69/78/67/1075697867.db2.gz	OLBSYISINCKSFJ-JNYIRXQFSA-N	1	1	407.518	1.815	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)[C@H]2C1	ZINC001084992531	1075697875	/nfs/dbraw/zinc/69/78/75/1075697875.db2.gz	FPKLVTFBMVTJQK-GCNBINEPSA-N	1	1	408.564	1.157	20	0		HDADMO
COc1cc2[nH+]c(NCCNC(=O)c3c(F)cccc3F)nc(N)c2cc1OC	ZINC000496902097	1075702165	/nfs/dbraw/zinc/70/21/65/1075702165.db2.gz	ZRUJJSRDLUYTQP-UHFFFAOYSA-N	1	1	403.389	1.771	20	0		HDADMO
COc1cc2[nH+]c(NCCCS(=O)(=O)c3ccccc3)nc(N)c2cc1OC	ZINC000517649951	1075702227	/nfs/dbraw/zinc/70/22/27/1075702227.db2.gz	SZJSHQOTCVQKQY-UHFFFAOYSA-N	1	1	402.476	1.927	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+](C)C(C)(C)COC)C2CCCC2)c(=O)[nH]c1=O	ZINC000429258230	1075703037	/nfs/dbraw/zinc/70/30/37/1075703037.db2.gz	GPEBXWZSUTWNOQ-UHFFFAOYSA-N	1	1	423.558	1.964	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)cc2)C[C@H](C)O1	ZINC000732324898	1075703805	/nfs/dbraw/zinc/70/38/05/1075703805.db2.gz	FPGCFTXWOATKRO-YRNRMSPPSA-N	1	1	412.490	1.992	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)cc2)C[C@H](C)O1	ZINC000732324898	1075703808	/nfs/dbraw/zinc/70/38/08/1075703808.db2.gz	FPGCFTXWOATKRO-YRNRMSPPSA-N	1	1	412.490	1.992	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccn(CC(F)F)n1	ZINC000444657095	1075704411	/nfs/dbraw/zinc/70/44/11/1075704411.db2.gz	JEKZFJAQDOWQEZ-OAHLLOKOSA-N	1	1	405.449	2.210	20	0		HDADMO
CCC[C@H]1CN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC[N@H+]1CCOC	ZINC000501586826	1075706252	/nfs/dbraw/zinc/70/62/52/1075706252.db2.gz	CWXNVHFLBUOEHP-INIZCTEOSA-N	1	1	403.531	1.215	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)C[N@H+]1Cc1ccccc1	ZINC000467478466	1075715132	/nfs/dbraw/zinc/71/51/32/1075715132.db2.gz	ORSPFCINYPKCBE-UYAOXDASSA-N	1	1	412.538	2.000	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CCO)Cc1ccccc1	ZINC000509438825	1075715397	/nfs/dbraw/zinc/71/53/97/1075715397.db2.gz	CPPGLISRWSWAQW-HXUWFJFHSA-N	1	1	424.545	1.334	20	0		HDADMO
CC(=O)N1CCC(CNc2nc(NCC3CCN(C(C)=O)CC3)c(C)c[nH+]2)CC1	ZINC000444075602	1075717045	/nfs/dbraw/zinc/71/70/45/1075717045.db2.gz	KLKNBFVLKAFQGX-UHFFFAOYSA-N	1	1	402.543	2.126	20	0		HDADMO
Cn1cnc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1	ZINC000555938574	1075719230	/nfs/dbraw/zinc/71/92/30/1075719230.db2.gz	QYULPRKOPVENHT-ZFWWWQNUSA-N	1	1	424.427	1.972	20	0		HDADMO
CCCNC(=O)CCC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1	ZINC000732353569	1075720530	/nfs/dbraw/zinc/72/05/30/1075720530.db2.gz	XZUKMVPEMVZVQX-UHFFFAOYSA-N	1	1	403.523	1.879	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@H+]1C	ZINC000559650016	1075722940	/nfs/dbraw/zinc/72/29/40/1075722940.db2.gz	JFJQWWPQFYEQNN-TZMCWYRMSA-N	1	1	420.311	2.172	20	0		HDADMO
Nc1nccc([C@H]2CCC[N@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)C2)n1	ZINC000558737728	1075726380	/nfs/dbraw/zinc/72/63/80/1075726380.db2.gz	GJXDHWYNFNVEMA-SFHVURJKSA-N	1	1	409.534	2.103	20	0		HDADMO
Nc1nccc([C@H]2CCC[N@@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)C2)n1	ZINC000558737728	1075726387	/nfs/dbraw/zinc/72/63/87/1075726387.db2.gz	GJXDHWYNFNVEMA-SFHVURJKSA-N	1	1	409.534	2.103	20	0		HDADMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509258568	1075731055	/nfs/dbraw/zinc/73/10/55/1075731055.db2.gz	MXIAWKKWWIJQAT-HOTGVXAUSA-N	1	1	414.597	1.742	20	0		HDADMO
COC(=O)c1cc(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)ccc1F	ZINC000732422638	1075733978	/nfs/dbraw/zinc/73/39/78/1075733978.db2.gz	QTSNYAXPRAABGY-UHFFFAOYSA-N	1	1	416.457	1.736	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(CCCO)CC1	ZINC000509442533	1075737095	/nfs/dbraw/zinc/73/70/95/1075737095.db2.gz	QIUOKSKKJSZOIL-LJQANCHMSA-N	1	1	416.566	1.324	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21	ZINC000509443148	1075738804	/nfs/dbraw/zinc/73/88/04/1075738804.db2.gz	XQRAMSBAVZVPQK-PMXSJFBMSA-N	1	1	414.550	1.387	20	0		HDADMO
CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732413447	1075739032	/nfs/dbraw/zinc/73/90/32/1075739032.db2.gz	VNNTVDOXNFKQRK-KRWDZBQOSA-N	1	1	420.579	1.690	20	0		HDADMO
CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732413447	1075739037	/nfs/dbraw/zinc/73/90/37/1075739037.db2.gz	VNNTVDOXNFKQRK-KRWDZBQOSA-N	1	1	420.579	1.690	20	0		HDADMO
Cc1cc(CNC(=O)N2CCN(c3nc(N)ns3)CC2)cc(N2CCCC2)[nH+]1	ZINC000462269087	1075739550	/nfs/dbraw/zinc/73/95/50/1075739550.db2.gz	JBUOFGJYUJYCJX-UHFFFAOYSA-N	1	1	402.528	1.456	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cc2)CC1	ZINC000732443892	1075746085	/nfs/dbraw/zinc/74/60/85/1075746085.db2.gz	FNLSPFFHWIIFFR-IBGZPJMESA-N	1	1	416.522	1.511	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000429269552	1075752277	/nfs/dbraw/zinc/75/22/77/1075752277.db2.gz	VTNLJGCZLXRAKD-UHFFFAOYSA-N	1	1	423.988	1.591	20	0		HDADMO
C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1N1CCC(O)CC1	ZINC000732464517	1075752925	/nfs/dbraw/zinc/75/29/25/1075752925.db2.gz	WOHZKQVWGMSMID-NVXWUHKLSA-N	1	1	407.534	1.393	20	0		HDADMO
CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000429268792	1075753911	/nfs/dbraw/zinc/75/39/11/1075753911.db2.gz	DGALUMBTNOXCFS-LEWJYISDSA-N	1	1	411.502	1.963	20	0		HDADMO
CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000429268792	1075753913	/nfs/dbraw/zinc/75/39/13/1075753913.db2.gz	DGALUMBTNOXCFS-LEWJYISDSA-N	1	1	411.502	1.963	20	0		HDADMO
CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000429268794	1075754349	/nfs/dbraw/zinc/75/43/49/1075754349.db2.gz	DGALUMBTNOXCFS-RTWAWAEBSA-N	1	1	411.502	1.963	20	0		HDADMO
CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000429268794	1075754353	/nfs/dbraw/zinc/75/43/53/1075754353.db2.gz	DGALUMBTNOXCFS-RTWAWAEBSA-N	1	1	411.502	1.963	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000592496513	1075754696	/nfs/dbraw/zinc/75/46/96/1075754696.db2.gz	KUVRQBVHENHVAC-CQSZACIVSA-N	1	1	402.465	1.838	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000497967049	1075755700	/nfs/dbraw/zinc/75/57/00/1075755700.db2.gz	ZATOOUGWPJXUEE-KDOFPFPSSA-N	1	1	407.522	1.893	20	0		HDADMO
C[C@H](CNc1cc(NC[C@H](C)c2nncn2C)[nH+]c2cnccc12)c1nncn1C	ZINC000557657033	1075757971	/nfs/dbraw/zinc/75/79/71/1075757971.db2.gz	FKXBPNVAVLGVMF-KGLIPLIRSA-N	1	1	406.498	2.318	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[N@@H+](C)Cc1ccccc1	ZINC000732479971	1075758455	/nfs/dbraw/zinc/75/84/55/1075758455.db2.gz	CIRVQVKFUKZGDG-QGZVFWFLSA-N	1	1	423.517	1.198	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000462185958	1075764457	/nfs/dbraw/zinc/76/44/57/1075764457.db2.gz	IRTXQVXPTOKTNM-IFXJQAMLSA-N	1	1	407.522	1.893	20	0		HDADMO
CC(C)(C)Oc1nc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ncc1Br	ZINC000553376767	1075766105	/nfs/dbraw/zinc/76/61/05/1075766105.db2.gz	ZCDLOIDRTDJHAI-LBPRGKRZSA-N	1	1	414.348	2.416	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000494425150	1075768811	/nfs/dbraw/zinc/76/88/11/1075768811.db2.gz	KEQCOUTYRQYAEM-INIZCTEOSA-N	1	1	401.540	1.617	20	0		HDADMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)C[C@@H](C)O1	ZINC000466644406	1075771009	/nfs/dbraw/zinc/77/10/09/1075771009.db2.gz	VGJOHPWOXHKEFM-ZIAGYGMSSA-N	1	1	416.469	1.752	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C1CC1	ZINC000804222966	1075774879	/nfs/dbraw/zinc/77/48/79/1075774879.db2.gz	FRPKOOATDGKTIY-JKSUJKDBSA-N	1	1	410.559	1.739	20	0		HDADMO
COC(=O)C1CCN(C(=O)CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000732572131	1075782384	/nfs/dbraw/zinc/78/23/84/1075782384.db2.gz	YTMWQCYCYSECCE-ZDUSSCGKSA-N	1	1	414.503	1.399	20	0		HDADMO
CC(=O)N1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)Oc2ccccc21	ZINC000732558412	1075785286	/nfs/dbraw/zinc/78/52/86/1075785286.db2.gz	AHHMUHHSGXKLBY-NQIIRXRSSA-N	1	1	400.523	1.427	20	0		HDADMO
CC(=O)N1C[C@@H](C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)Oc2ccccc21	ZINC000732558412	1075785287	/nfs/dbraw/zinc/78/52/87/1075785287.db2.gz	AHHMUHHSGXKLBY-NQIIRXRSSA-N	1	1	400.523	1.427	20	0		HDADMO
CCNC(=O)OC[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000804234983	1075785347	/nfs/dbraw/zinc/78/53/47/1075785347.db2.gz	DLXZWUXYZCRLFU-HXUWFJFHSA-N	1	1	402.539	1.931	20	0		HDADMO
CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559282	1075785635	/nfs/dbraw/zinc/78/56/35/1075785635.db2.gz	KLZYNRJRQAQHHK-OXQOHEQNSA-N	1	1	402.514	1.806	20	0		HDADMO
CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559282	1075785638	/nfs/dbraw/zinc/78/56/38/1075785638.db2.gz	KLZYNRJRQAQHHK-OXQOHEQNSA-N	1	1	402.514	1.806	20	0		HDADMO
CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000732560427	1075787072	/nfs/dbraw/zinc/78/70/72/1075787072.db2.gz	ZFSZQABRGMZJPS-GOSISDBHSA-N	1	1	424.567	1.109	20	0		HDADMO
CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000732560427	1075787077	/nfs/dbraw/zinc/78/70/77/1075787077.db2.gz	ZFSZQABRGMZJPS-GOSISDBHSA-N	1	1	424.567	1.109	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)Cc2ccccc2N2CCOCC2)C1	ZINC000016425192	1075787275	/nfs/dbraw/zinc/78/72/75/1075787275.db2.gz	ZCSPZADTJJWAET-OAQYLSRUSA-N	1	1	418.582	1.428	20	0		HDADMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)Nc2cc(C3CC3)[nH]n2)CC1	ZINC000426346054	1075788831	/nfs/dbraw/zinc/78/88/31/1075788831.db2.gz	YTKJDIPOTIGXDF-UHFFFAOYSA-N	1	1	410.478	1.642	20	0		HDADMO
CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732563637	1075789397	/nfs/dbraw/zinc/78/93/97/1075789397.db2.gz	LWTWTNDCJAFFFF-HXUWFJFHSA-N	1	1	411.550	1.792	20	0		HDADMO
CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732563637	1075789401	/nfs/dbraw/zinc/78/94/01/1075789401.db2.gz	LWTWTNDCJAFFFF-HXUWFJFHSA-N	1	1	411.550	1.792	20	0		HDADMO
O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1C[N@H+]2CCN1CCC2	ZINC000486824598	1075790320	/nfs/dbraw/zinc/79/03/20/1075790320.db2.gz	GWCRBLSAKPLDCT-JKSUJKDBSA-N	1	1	412.412	1.197	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1	ZINC000479953880	1075790362	/nfs/dbraw/zinc/79/03/62/1075790362.db2.gz	DYRVVZPUJDXKHZ-HNNXBMFYSA-N	1	1	400.508	1.975	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC3(CC2)OCCc2ccsc23)CC1	ZINC000487148763	1075792344	/nfs/dbraw/zinc/79/23/44/1075792344.db2.gz	VEDONVJJPCBOAE-UHFFFAOYSA-N	1	1	420.579	1.874	20	0		HDADMO
CC(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nncn1C	ZINC000509274683	1075792993	/nfs/dbraw/zinc/79/29/93/1075792993.db2.gz	RUYTXIZNZUJXEW-OTWHNJEPSA-N	1	1	400.527	1.694	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1	ZINC000592934942	1075802831	/nfs/dbraw/zinc/80/28/31/1075802831.db2.gz	DCMOIKGUCHHKSN-UHFFFAOYSA-N	1	1	406.487	1.600	20	0		HDADMO
CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1CC	ZINC000487783598	1075804036	/nfs/dbraw/zinc/80/40/36/1075804036.db2.gz	LFZXKGFVMZCACE-LJQANCHMSA-N	1	1	400.523	1.515	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@@H+](CCO)Cc2cccc(Br)c2)C[C@@H](C)O1	ZINC000488195576	1075806501	/nfs/dbraw/zinc/80/65/01/1075806501.db2.gz	FPFLMTHFBIHHRQ-RKVPGOIHSA-N	1	1	401.345	1.714	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000017114688	1075807053	/nfs/dbraw/zinc/80/70/53/1075807053.db2.gz	XLJJENRCYSMFMB-UHFFFAOYSA-N	1	1	416.547	1.763	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccn(CC(F)F)n1	ZINC000444657094	1075809190	/nfs/dbraw/zinc/80/91/90/1075809190.db2.gz	JEKZFJAQDOWQEZ-HNNXBMFYSA-N	1	1	405.449	2.210	20	0		HDADMO
CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000611024752	1075812916	/nfs/dbraw/zinc/81/29/16/1075812916.db2.gz	XPNPWIAZWDLLOX-OAHLLOKOSA-N	1	1	406.508	1.872	20	0		HDADMO
CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000611024752	1075812921	/nfs/dbraw/zinc/81/29/21/1075812921.db2.gz	XPNPWIAZWDLLOX-OAHLLOKOSA-N	1	1	406.508	1.872	20	0		HDADMO
CC[N@H+]1CCN(C(=O)CNC(=O)c2ccccc2I)C[C@@H]1C	ZINC000611100627	1075833668	/nfs/dbraw/zinc/83/36/68/1075833668.db2.gz	MOBAUZNHSYTJOI-LBPRGKRZSA-N	1	1	415.275	1.574	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C[C@@H]1C	ZINC000611100450	1075833905	/nfs/dbraw/zinc/83/39/05/1075833905.db2.gz	FOZBEOTXOBSPEB-HNNXBMFYSA-N	1	1	402.495	1.565	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C[C@@H]1C	ZINC000611100450	1075833908	/nfs/dbraw/zinc/83/39/08/1075833908.db2.gz	FOZBEOTXOBSPEB-HNNXBMFYSA-N	1	1	402.495	1.565	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(I)cc2)C[C@@H]1C	ZINC000611100481	1075833947	/nfs/dbraw/zinc/83/39/47/1075833947.db2.gz	GPPUJEFMZCEVGU-NSHDSACASA-N	1	1	401.248	1.782	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(I)cc2)C[C@@H]1C	ZINC000611100481	1075833953	/nfs/dbraw/zinc/83/39/53/1075833953.db2.gz	GPPUJEFMZCEVGU-NSHDSACASA-N	1	1	401.248	1.782	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1	ZINC000732703801	1075837962	/nfs/dbraw/zinc/83/79/62/1075837962.db2.gz	LAQMNAFFMKXLOD-XUVXKRRUSA-N	1	1	422.957	1.564	20	0		HDADMO
COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1	ZINC000611107064	1075838272	/nfs/dbraw/zinc/83/82/72/1075838272.db2.gz	WRNZHTQCYHBHGH-LLVKDONJSA-N	1	1	403.298	1.751	20	0		HDADMO
COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1	ZINC000611107064	1075838277	/nfs/dbraw/zinc/83/82/77/1075838277.db2.gz	WRNZHTQCYHBHGH-LLVKDONJSA-N	1	1	403.298	1.751	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2nnc(Cc3ccccc3F)s2)C1	ZINC000521259726	1075842133	/nfs/dbraw/zinc/84/21/33/1075842133.db2.gz	QCKZCPXJFAOHHQ-AWEZNQCLSA-N	1	1	420.514	1.977	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)cc1	ZINC000612260221	1075843178	/nfs/dbraw/zinc/84/31/78/1075843178.db2.gz	NJDXWDIXACFWAP-UHFFFAOYSA-N	1	1	405.524	1.741	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1	ZINC000732772327	1075851852	/nfs/dbraw/zinc/85/18/52/1075851852.db2.gz	XDOOBWORDPTWLV-UZRURVBFSA-N	1	1	400.523	1.638	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC[N@@H+]1C	ZINC000488603986	1075869507	/nfs/dbraw/zinc/86/95/07/1075869507.db2.gz	DCLMHNXUFNVYCT-INIZCTEOSA-N	1	1	404.902	1.717	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC[N@H+]1C	ZINC000488603986	1075869514	/nfs/dbraw/zinc/86/95/14/1075869514.db2.gz	DCLMHNXUFNVYCT-INIZCTEOSA-N	1	1	404.902	1.717	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1	ZINC000466658601	1075869830	/nfs/dbraw/zinc/86/98/30/1075869830.db2.gz	HCQURXBAIALOOS-CALCHBBNSA-N	1	1	409.552	1.791	20	0		HDADMO
COC(=O)c1ccsc1NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000611176437	1075869724	/nfs/dbraw/zinc/86/97/24/1075869724.db2.gz	YJIUZMNYVGEMMM-UHFFFAOYSA-N	1	1	422.551	1.490	20	0		HDADMO
COC(=O)c1ccc(NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1	ZINC000611176435	1075869900	/nfs/dbraw/zinc/86/99/00/1075869900.db2.gz	XVZVHZSDENJCGG-UHFFFAOYSA-N	1	1	416.522	1.429	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732807925	1075870365	/nfs/dbraw/zinc/87/03/65/1075870365.db2.gz	XIWWCJKAGAAMHG-IBGZPJMESA-N	1	1	404.555	1.324	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732807925	1075870369	/nfs/dbraw/zinc/87/03/69/1075870369.db2.gz	XIWWCJKAGAAMHG-IBGZPJMESA-N	1	1	404.555	1.324	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)NCc1cccc(C(=O)NC2CC2)c1	ZINC000732808856	1075870701	/nfs/dbraw/zinc/87/07/01/1075870701.db2.gz	FBKUIRXFCYNRQD-HXUWFJFHSA-N	1	1	412.534	1.672	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)NCc1cccc(C(=O)NC2CC2)c1	ZINC000732808856	1075870703	/nfs/dbraw/zinc/87/07/03/1075870703.db2.gz	FBKUIRXFCYNRQD-HXUWFJFHSA-N	1	1	412.534	1.672	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732810249	1075871640	/nfs/dbraw/zinc/87/16/40/1075871640.db2.gz	WCIRQTUBEQPIQD-GOSISDBHSA-N	1	1	402.495	1.958	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732810249	1075871648	/nfs/dbraw/zinc/87/16/48/1075871648.db2.gz	WCIRQTUBEQPIQD-GOSISDBHSA-N	1	1	402.495	1.958	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(c2ccccc2F)CC1	ZINC000732813100	1075874551	/nfs/dbraw/zinc/87/45/51/1075874551.db2.gz	UYOCRZLAZWNTRM-SFHVURJKSA-N	1	1	402.514	1.951	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(c2ccccc2F)CC1	ZINC000732813100	1075874554	/nfs/dbraw/zinc/87/45/54/1075874554.db2.gz	UYOCRZLAZWNTRM-SFHVURJKSA-N	1	1	402.514	1.951	20	0		HDADMO
CCOC(=O)c1cnn2c1nccc2C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000611200237	1075876374	/nfs/dbraw/zinc/87/63/74/1075876374.db2.gz	PIUGBXLVUKXUOH-OAHLLOKOSA-N	1	1	401.467	1.233	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(C(=O)c2c(F)cccc2I)CC1	ZINC000611218393	1075878644	/nfs/dbraw/zinc/87/86/44/1075878644.db2.gz	HZUIIRGPQABDHE-UHFFFAOYSA-N	1	1	406.239	1.959	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732822169	1075879586	/nfs/dbraw/zinc/87/95/86/1075879586.db2.gz	AVSBJRADQKJQJY-OAQYLSRUSA-N	1	1	413.566	1.995	20	0		HDADMO
COc1c(C(=O)O[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1C	ZINC000732854884	1075886902	/nfs/dbraw/zinc/88/69/02/1075886902.db2.gz	RPLRZIHRURKANK-NVXWUHKLSA-N	1	1	400.479	1.673	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N(C)c2nccs2)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265892	1075888837	/nfs/dbraw/zinc/88/88/37/1075888837.db2.gz	OKHXAPFIZRVOJV-FQEVSTJZSA-N	1	1	402.520	1.903	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N(C)c2nccs2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265892	1075888843	/nfs/dbraw/zinc/88/88/43/1075888843.db2.gz	OKHXAPFIZRVOJV-FQEVSTJZSA-N	1	1	402.520	1.903	20	0		HDADMO
COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000611285095	1075892237	/nfs/dbraw/zinc/89/22/37/1075892237.db2.gz	ZRJGORYSCVMLOR-QZTJIDSGSA-N	1	1	408.930	1.976	20	0		HDADMO
CN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732886236	1075892311	/nfs/dbraw/zinc/89/23/11/1075892311.db2.gz	USPWEDNUCAFWOM-CYBMUJFWSA-N	1	1	404.458	1.911	20	0		HDADMO
CN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732886236	1075892319	/nfs/dbraw/zinc/89/23/19/1075892319.db2.gz	USPWEDNUCAFWOM-CYBMUJFWSA-N	1	1	404.458	1.911	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(OC)c4oc(C(=O)OC)cc43)CCN2C1=O	ZINC000611285420	1075892931	/nfs/dbraw/zinc/89/29/31/1075892931.db2.gz	XRWFXWUBVMUUFO-AWEZNQCLSA-N	1	1	401.419	1.696	20	0		HDADMO
C[C@H]1CN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)cc2)C[C@H](C)O1	ZINC000732895497	1075896080	/nfs/dbraw/zinc/89/60/80/1075896080.db2.gz	BGTCUOQFLBDEMH-HOTGVXAUSA-N	1	1	406.552	1.404	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1	ZINC000611320153	1075899300	/nfs/dbraw/zinc/89/93/00/1075899300.db2.gz	YEOYWEXGQYDBCV-HNNXBMFYSA-N	1	1	406.479	1.822	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1	ZINC000611320878	1075900114	/nfs/dbraw/zinc/90/01/14/1075900114.db2.gz	XAOIFCKKNGQEKE-GOSISDBHSA-N	1	1	407.555	1.759	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)C1	ZINC000611321661	1075900480	/nfs/dbraw/zinc/90/04/80/1075900480.db2.gz	CNZJYRQATOKEEP-INIZCTEOSA-N	1	1	419.522	1.815	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)C1	ZINC000611321661	1075900482	/nfs/dbraw/zinc/90/04/82/1075900482.db2.gz	CNZJYRQATOKEEP-INIZCTEOSA-N	1	1	419.522	1.815	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Cl	ZINC000611365461	1075919781	/nfs/dbraw/zinc/91/97/81/1075919781.db2.gz	SYJZGMSPUZYLRJ-IRXDYDNUSA-N	1	1	423.897	1.513	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1Br	ZINC000611380835	1075922180	/nfs/dbraw/zinc/92/21/80/1075922180.db2.gz	GAVKROAUFGUKGQ-CYBMUJFWSA-N	1	1	424.295	1.775	20	0		HDADMO
CCn1c(N)c(C(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C(=O)OC)c(=O)[nH]c1=O	ZINC000611406382	1075924082	/nfs/dbraw/zinc/92/40/82/1075924082.db2.gz	PQHMHOJUIUUZQJ-HNNXBMFYSA-N	1	1	402.451	1.264	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC1	ZINC000611417911	1075928209	/nfs/dbraw/zinc/92/82/09/1075928209.db2.gz	FMSIKVMKOYFZBP-UHFFFAOYSA-N	1	1	418.538	1.994	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1	ZINC000611456669	1075938928	/nfs/dbraw/zinc/93/89/28/1075938928.db2.gz	LFCDWUVNDQNCBS-ZDUSSCGKSA-N	1	1	410.540	1.171	20	0		HDADMO
C[C@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCCC[C@H]1C	ZINC000732991086	1075941707	/nfs/dbraw/zinc/94/17/07/1075941707.db2.gz	BSBCRTKGNSWRQV-ZIAGYGMSSA-N	1	1	410.531	1.813	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)C[C@H]1C	ZINC000611484588	1075946601	/nfs/dbraw/zinc/94/66/01/1075946601.db2.gz	GWHJDBRXHWHXGZ-XLIONFOSSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)C[C@H]1C	ZINC000611484588	1075946604	/nfs/dbraw/zinc/94/66/04/1075946604.db2.gz	GWHJDBRXHWHXGZ-XLIONFOSSA-N	1	1	403.523	1.845	20	0		HDADMO
CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611515660	1075953208	/nfs/dbraw/zinc/95/32/08/1075953208.db2.gz	JNWWDKSAZJFFSS-SFHVURJKSA-N	1	1	423.579	1.218	20	0		HDADMO
CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611516026	1075953245	/nfs/dbraw/zinc/95/32/45/1075953245.db2.gz	NVNSWZKUQHISRP-GOSISDBHSA-N	1	1	407.580	1.382	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733039976	1075962837	/nfs/dbraw/zinc/96/28/37/1075962837.db2.gz	YQVIMCXHBRNXKD-UONOGXRCSA-N	1	1	410.531	1.670	20	0		HDADMO
Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](N(Cc3ccccc3)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1	ZINC001079139176	1075964418	/nfs/dbraw/zinc/96/44/18/1075964418.db2.gz	CRPDPNWGKKLOBH-VYKPCIFISA-N	1	1	422.529	1.417	20	0		HDADMO
Cn1cc(C[N@H+]2C[C@@H](O)[C@H](N(Cc3ccccc3)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1	ZINC001079139176	1075964426	/nfs/dbraw/zinc/96/44/26/1075964426.db2.gz	CRPDPNWGKKLOBH-VYKPCIFISA-N	1	1	422.529	1.417	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)ccc1N1C(=O)CCC1=O	ZINC000733046827	1075965354	/nfs/dbraw/zinc/96/53/54/1075965354.db2.gz	AOPOOAHJIIXSCW-UHFFFAOYSA-N	1	1	422.485	1.835	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1=O	ZINC000733136277	1075972698	/nfs/dbraw/zinc/97/26/98/1075972698.db2.gz	WEKNVFYKHXJZFM-CRAIPNDOSA-N	1	1	400.479	1.915	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CCO)CCN1CCOCC1	ZINC000491424128	1075975025	/nfs/dbraw/zinc/97/50/25/1075975025.db2.gz	PHSPPDFPARYYFW-CTNGQTDRSA-N	1	1	404.555	1.233	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C(=O)OC)c2cc(F)ccc2F)CC1=O	ZINC000733143700	1075975048	/nfs/dbraw/zinc/97/50/48/1075975048.db2.gz	CVSJEHOMFXYREE-OHNRDTAOSA-N	1	1	423.460	1.628	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080159761	1075983555	/nfs/dbraw/zinc/98/35/55/1075983555.db2.gz	UIHRXXMKOBUKKY-YDRFAZDDSA-N	1	1	400.504	1.116	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080159761	1075983558	/nfs/dbraw/zinc/98/35/58/1075983558.db2.gz	UIHRXXMKOBUKKY-YDRFAZDDSA-N	1	1	400.504	1.116	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163721	1075983951	/nfs/dbraw/zinc/98/39/51/1075983951.db2.gz	XQKBCIBXQMTZLZ-LKOUITPSSA-N	1	1	415.559	1.493	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163721	1075983953	/nfs/dbraw/zinc/98/39/53/1075983953.db2.gz	XQKBCIBXQMTZLZ-LKOUITPSSA-N	1	1	415.559	1.493	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C(F)(F)F)n1	ZINC000733155299	1075989246	/nfs/dbraw/zinc/98/92/46/1075989246.db2.gz	AKUJHCIKWILTID-RHSMWYFYSA-N	1	1	422.517	1.980	20	0		HDADMO
O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000733157935	1075989985	/nfs/dbraw/zinc/98/99/85/1075989985.db2.gz	BBCBNGFNLTXKJH-MRXNPFEDSA-N	1	1	416.547	1.835	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1	ZINC000733157246	1075990178	/nfs/dbraw/zinc/99/01/78/1075990178.db2.gz	WOKPOPLIVCJJSQ-QWNKOJSDSA-N	1	1	413.547	1.621	20	0		HDADMO
C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC000494235339	1075999003	/nfs/dbraw/zinc/99/90/03/1075999003.db2.gz	VUKOXFKUYUKRSW-CAPFRKAQSA-N	1	1	414.550	1.025	20	0		HDADMO
C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC000494235339	1075999005	/nfs/dbraw/zinc/99/90/05/1075999005.db2.gz	VUKOXFKUYUKRSW-CAPFRKAQSA-N	1	1	414.550	1.025	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	ZINC000733170040	1076000624	/nfs/dbraw/zinc/00/06/24/1076000624.db2.gz	JAMFAPAZUOOMJK-CQSZACIVSA-N	1	1	421.485	1.984	20	0		HDADMO
C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000513229475	1076004563	/nfs/dbraw/zinc/00/45/63/1076004563.db2.gz	ZFNABNPVLSVSAR-RLLQIKCJSA-N	1	1	405.564	1.401	20	0		HDADMO
C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000513229475	1076004567	/nfs/dbraw/zinc/00/45/67/1076004567.db2.gz	ZFNABNPVLSVSAR-RLLQIKCJSA-N	1	1	405.564	1.401	20	0		HDADMO
C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1	ZINC000513261358	1076004841	/nfs/dbraw/zinc/00/48/41/1076004841.db2.gz	MZDXGVQHDMUHMS-PZJWPPBQSA-N	1	1	414.550	1.073	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCC[N@H+]3CCC[C@H](C)C3)C2)no1	ZINC000513995587	1076014206	/nfs/dbraw/zinc/01/42/06/1076014206.db2.gz	YNORKLFFTFVWME-RDJZCZTQSA-N	1	1	406.531	1.496	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)no1	ZINC000514026977	1076016688	/nfs/dbraw/zinc/01/66/88/1076016688.db2.gz	MTMCSBCCMONDNG-FBVQUNGASA-N	1	1	418.542	1.780	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C2)no1	ZINC000514030957	1076017031	/nfs/dbraw/zinc/01/70/31/1076017031.db2.gz	NCSAPHIKNKTNHN-SJLPKXTDSA-N	1	1	418.542	1.781	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)C[C@H](C)O1	ZINC000514125111	1076017614	/nfs/dbraw/zinc/01/76/14/1076017614.db2.gz	QPKVBZNZRCQHQJ-NSHGMRRFSA-N	1	1	412.534	1.272	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)C[C@H](C)O1	ZINC000514125111	1076017621	/nfs/dbraw/zinc/01/76/21/1076017621.db2.gz	QPKVBZNZRCQHQJ-NSHGMRRFSA-N	1	1	412.534	1.272	20	0		HDADMO
COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)c1	ZINC001081958565	1076019272	/nfs/dbraw/zinc/01/92/72/1076019272.db2.gz	UISFRABPMZJPLY-NWRWZVFGSA-N	1	1	404.507	1.705	20	0		HDADMO
COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)c1	ZINC001081958565	1076019275	/nfs/dbraw/zinc/01/92/75/1076019275.db2.gz	UISFRABPMZJPLY-NWRWZVFGSA-N	1	1	404.507	1.705	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O	ZINC000733274220	1076026976	/nfs/dbraw/zinc/02/69/76/1076026976.db2.gz	VFRAACSWZPJHGL-UTKZUKDTSA-N	1	1	404.486	1.973	20	0		HDADMO
CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H](S(=O)(=O)NC)C3)cc(=O)oc2c1	ZINC000733310814	1076035585	/nfs/dbraw/zinc/03/55/85/1076035585.db2.gz	LCHXPIVMZCGCAC-HNNXBMFYSA-N	1	1	423.491	1.875	20	0		HDADMO
CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H](S(=O)(=O)NC)C3)cc(=O)oc2c1	ZINC000733310814	1076035591	/nfs/dbraw/zinc/03/55/91/1076035591.db2.gz	LCHXPIVMZCGCAC-HNNXBMFYSA-N	1	1	423.491	1.875	20	0		HDADMO
CO[C@@H](CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(F)(F)F	ZINC000733357218	1076051216	/nfs/dbraw/zinc/05/12/16/1076051216.db2.gz	QYLICFGWZZISMB-HOTGVXAUSA-N	1	1	416.444	1.760	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)c2cccs2)CC1	ZINC000053273466	1076055595	/nfs/dbraw/zinc/05/55/95/1076055595.db2.gz	ZTTAVBXVZSOZFX-INIZCTEOSA-N	1	1	400.504	1.798	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3F)cc2)CC1	ZINC000733369657	1076057108	/nfs/dbraw/zinc/05/71/08/1076057108.db2.gz	TWCRQPRRJZFLBI-UHFFFAOYSA-N	1	1	406.483	1.867	20	0		HDADMO
Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000684015127	1076063225	/nfs/dbraw/zinc/06/32/25/1076063225.db2.gz	ZSMMAMJIDGZFQD-PKOBYXMFSA-N	1	1	411.506	1.943	20	0		HDADMO
Cc1cc(C(=O)NC2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)c(C)o1	ZINC000727285358	1076092652	/nfs/dbraw/zinc/09/26/52/1076092652.db2.gz	UPKXDHAYMZCGJM-UHFFFAOYSA-N	1	1	408.568	1.687	20	0		HDADMO
CCCCCCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000727311787	1076095251	/nfs/dbraw/zinc/09/52/51/1076095251.db2.gz	JLMLHSMZJIJGMC-UHFFFAOYSA-N	1	1	424.567	1.681	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)NC(=O)N[C@H]1C	ZINC000727385058	1076102740	/nfs/dbraw/zinc/10/27/40/1076102740.db2.gz	XGMXRIIVWORZAU-QFBILLFUSA-N	1	1	416.522	1.476	20	0		HDADMO
Cn1cc(/C=C\C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(=O)n(C)c1=O	ZINC000727392931	1076111182	/nfs/dbraw/zinc/11/11/82/1076111182.db2.gz	VBDUQJURMQINGF-KTKRTIGZSA-N	1	1	410.518	1.468	20	0		HDADMO
CO[C@@H](CNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F	ZINC000733642780	1076136886	/nfs/dbraw/zinc/13/68/86/1076136886.db2.gz	UOZJQEICLJKHGP-ZDUSSCGKSA-N	1	1	412.453	1.806	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000733650371	1076141294	/nfs/dbraw/zinc/14/12/94/1076141294.db2.gz	ZGOGSEAQCMARMX-MJGOQNOKSA-N	1	1	402.495	1.766	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	ZINC000733666047	1076146825	/nfs/dbraw/zinc/14/68/25/1076146825.db2.gz	OJGRIHVNHQEIAY-CQSZACIVSA-N	1	1	418.885	1.223	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(Br)cn2)C1	ZINC000727549710	1076165682	/nfs/dbraw/zinc/16/56/82/1076165682.db2.gz	DDAFWCYEOYAQEO-AWEZNQCLSA-N	1	1	414.300	1.474	20	0		HDADMO
Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F	ZINC000727644963	1076198315	/nfs/dbraw/zinc/19/83/15/1076198315.db2.gz	RXKMRBHBHXODEZ-ZDUSSCGKSA-N	1	1	415.338	1.943	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000727702928	1076210296	/nfs/dbraw/zinc/21/02/96/1076210296.db2.gz	GJDQEKXNWSDCSS-OAHLLOKOSA-N	1	1	400.570	1.334	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1	ZINC000733796568	1076215732	/nfs/dbraw/zinc/21/57/32/1076215732.db2.gz	MRSSYKHKGFFQGO-MSOLQXFVSA-N	1	1	416.588	1.592	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1	ZINC000727741692	1076216520	/nfs/dbraw/zinc/21/65/20/1076216520.db2.gz	HAAMIIADIGBZSP-GFCCVEGCSA-N	1	1	403.932	1.477	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	ZINC000727765814	1076219839	/nfs/dbraw/zinc/21/98/39/1076219839.db2.gz	IPPXFSWKBWDDFS-QKLQHJQFSA-N	1	1	416.522	1.800	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1	ZINC000727752277	1076225580	/nfs/dbraw/zinc/22/55/80/1076225580.db2.gz	HQXGRMDQJJXRFH-IBGZPJMESA-N	1	1	400.504	1.369	20	0		HDADMO
C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)CN1CC[NH+](C)CC1	ZINC000733882523	1076237937	/nfs/dbraw/zinc/23/79/37/1076237937.db2.gz	QTFUQQFQDMEOMW-AWEZNQCLSA-N	1	1	416.975	1.204	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)c2ccccc2NC(=O)c2ccsc2)CC1	ZINC000733882140	1076238512	/nfs/dbraw/zinc/23/85/12/1076238512.db2.gz	BANWDCSBGKEPQD-UHFFFAOYSA-N	1	1	400.504	1.894	20	0		HDADMO
Cc1occc1C(=O)Nc1nc(CC(=O)NCCCN2CCC[N@H+](C)CC2)cs1	ZINC000733882910	1076239159	/nfs/dbraw/zinc/23/91/59/1076239159.db2.gz	YDZPQCWRLWVCER-UHFFFAOYSA-N	1	1	419.551	1.983	20	0		HDADMO
Cc1occc1C(=O)Nc1nc(CC(=O)NCCC[N@H+]2CCCN(C)CC2)cs1	ZINC000733882910	1076239161	/nfs/dbraw/zinc/23/91/61/1076239161.db2.gz	YDZPQCWRLWVCER-UHFFFAOYSA-N	1	1	419.551	1.983	20	0		HDADMO
Cc1occc1C(=O)Nc1nc(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)cs1	ZINC000733882910	1076239163	/nfs/dbraw/zinc/23/91/63/1076239163.db2.gz	YDZPQCWRLWVCER-UHFFFAOYSA-N	1	1	419.551	1.983	20	0		HDADMO
Cc1cccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1NC(=O)c1ccncc1	ZINC000733884007	1076239515	/nfs/dbraw/zinc/23/95/15/1076239515.db2.gz	JTMUIYOMFDRCQP-UHFFFAOYSA-N	1	1	409.490	1.536	20	0		HDADMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1	ZINC000733885563	1076239997	/nfs/dbraw/zinc/23/99/97/1076239997.db2.gz	JPEKINLRMDJLDM-UHFFFAOYSA-N	1	1	402.948	1.006	20	0		HDADMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)c1	ZINC000733885563	1076240001	/nfs/dbraw/zinc/24/00/01/1076240001.db2.gz	JPEKINLRMDJLDM-UHFFFAOYSA-N	1	1	402.948	1.006	20	0		HDADMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@H+]2CCCN(C)CC2)c1	ZINC000733885563	1076240004	/nfs/dbraw/zinc/24/00/04/1076240004.db2.gz	JPEKINLRMDJLDM-UHFFFAOYSA-N	1	1	402.948	1.006	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000533828387	1076245164	/nfs/dbraw/zinc/24/51/64/1076245164.db2.gz	FDUKLYSKHNFIAJ-LJQANCHMSA-N	1	1	402.520	1.759	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000533828387	1076245170	/nfs/dbraw/zinc/24/51/70/1076245170.db2.gz	FDUKLYSKHNFIAJ-LJQANCHMSA-N	1	1	402.520	1.759	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1	ZINC000534480164	1076247577	/nfs/dbraw/zinc/24/75/77/1076247577.db2.gz	MNGUFBVOYFHSTQ-FUHIMQAGSA-N	1	1	424.973	1.366	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1	ZINC000534543313	1076248329	/nfs/dbraw/zinc/24/83/29/1076248329.db2.gz	UBCOSQYKWVCJII-QGZVFWFLSA-N	1	1	421.544	1.686	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1	ZINC000534543313	1076248333	/nfs/dbraw/zinc/24/83/33/1076248333.db2.gz	UBCOSQYKWVCJII-QGZVFWFLSA-N	1	1	421.544	1.686	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCS(=O)(=O)NCc2ccccc2)C1	ZINC000535271842	1076250998	/nfs/dbraw/zinc/25/09/98/1076250998.db2.gz	SVYYUHQTERJWCN-IBGZPJMESA-N	1	1	402.520	1.592	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCS(=O)(=O)NCc2ccccc2)C1	ZINC000535271842	1076251003	/nfs/dbraw/zinc/25/10/03/1076251003.db2.gz	SVYYUHQTERJWCN-IBGZPJMESA-N	1	1	402.520	1.592	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1	ZINC000535274344	1076251399	/nfs/dbraw/zinc/25/13/99/1076251399.db2.gz	BXQUJGOJFQLVTI-RTBURBONSA-N	1	1	420.469	1.220	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1	ZINC000535274344	1076251404	/nfs/dbraw/zinc/25/14/04/1076251404.db2.gz	BXQUJGOJFQLVTI-RTBURBONSA-N	1	1	420.469	1.220	20	0		HDADMO
Cc1nn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)N1CCCCC1	ZINC000535881054	1076253427	/nfs/dbraw/zinc/25/34/27/1076253427.db2.gz	RZMHQYDSPWWEJU-RLFYNMQTSA-N	1	1	414.572	1.145	20	0		HDADMO
CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+](CCO)[C@H]1CCc3ccccc31)C2=O	ZINC000733895045	1076256137	/nfs/dbraw/zinc/25/61/37/1076256137.db2.gz	MJRTYNPVBSMAAF-TUAABQIMSA-N	1	1	414.506	1.500	20	0		HDADMO
CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](CCO)[C@H]1CCc3ccccc31)C2=O	ZINC000733895045	1076256140	/nfs/dbraw/zinc/25/61/40/1076256140.db2.gz	MJRTYNPVBSMAAF-TUAABQIMSA-N	1	1	414.506	1.500	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1	ZINC000727805982	1076259311	/nfs/dbraw/zinc/25/93/11/1076259311.db2.gz	HIUSJOXIAUHWSC-OJLWIZQOSA-N	1	1	412.534	1.732	20	0		HDADMO
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[N@H+](C(C)C)CC3)C2=O)cc1	ZINC000727806936	1076260035	/nfs/dbraw/zinc/26/00/35/1076260035.db2.gz	LZQWALVZCFZOBB-OAQYLSRUSA-N	1	1	402.495	1.405	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000144461812	1076261351	/nfs/dbraw/zinc/26/13/51/1076261351.db2.gz	ZSONAUDBHJEKGC-SFHVURJKSA-N	1	1	418.494	1.541	20	0		HDADMO
COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000727830047	1076263605	/nfs/dbraw/zinc/26/36/05/1076263605.db2.gz	RSZIWLGUAHYXDA-FQEVSTJZSA-N	1	1	424.611	1.367	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)ccc1F	ZINC000733976425	1076280743	/nfs/dbraw/zinc/28/07/43/1076280743.db2.gz	PLQPBRNBGCYQHH-OAHLLOKOSA-N	1	1	414.547	1.126	20	0		HDADMO
C[NH+](C)CCN1CCC(CNC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1	ZINC000733976550	1076280974	/nfs/dbraw/zinc/28/09/74/1076280974.db2.gz	RKJZWZRKOUGMCK-HXUWFJFHSA-N	1	1	402.539	1.960	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21	ZINC001083149052	1076308215	/nfs/dbraw/zinc/30/82/15/1076308215.db2.gz	WJVKVZCNNCHSIK-ZSMYUXGJSA-N	1	1	410.514	1.499	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000728053420	1076320659	/nfs/dbraw/zinc/32/06/59/1076320659.db2.gz	JWMFOTYEOZUVMX-GOSISDBHSA-N	1	1	401.507	1.492	20	0		HDADMO
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000728054606	1076321743	/nfs/dbraw/zinc/32/17/43/1076321743.db2.gz	XSKRYDJJTVDLEA-KXBFYZLASA-N	1	1	415.490	1.453	20	0		HDADMO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H](C4OCCO4)C3)cc2)CC1	ZINC000728055585	1076322538	/nfs/dbraw/zinc/32/25/38/1076322538.db2.gz	VVUZSNGZKZFRGZ-SFHVURJKSA-N	1	1	402.539	1.852	20	0		HDADMO
CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3OC)CC2)NC(=O)N[C@H]1C	ZINC000728055899	1076322724	/nfs/dbraw/zinc/32/27/24/1076322724.db2.gz	PYOUNFHBXVYNLD-HNNXBMFYSA-N	1	1	402.495	1.331	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(O)(c1ccccc1)c1ccccc1	ZINC000728072241	1076332967	/nfs/dbraw/zinc/33/29/67/1076332967.db2.gz	AUMMJCVPZNNXEW-NRFANRHFSA-N	1	1	409.530	1.981	20	0		HDADMO
CCOc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1	ZINC000728078112	1076334944	/nfs/dbraw/zinc/33/49/44/1076334944.db2.gz	STKMZFALZWLBDV-IRXDYDNUSA-N	1	1	416.522	1.142	20	0		HDADMO
CCC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1COc2ccccc2O1	ZINC000026663447	1076357688	/nfs/dbraw/zinc/35/76/88/1076357688.db2.gz	YEKZHDBLUYHGKU-MRXNPFEDSA-N	1	1	419.503	1.825	20	0		HDADMO
CCC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1COc2ccccc2O1	ZINC000026663447	1076357694	/nfs/dbraw/zinc/35/76/94/1076357694.db2.gz	YEKZHDBLUYHGKU-MRXNPFEDSA-N	1	1	419.503	1.825	20	0		HDADMO
CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000728171290	1076363764	/nfs/dbraw/zinc/36/37/64/1076363764.db2.gz	FWNSFFHBRZLVNI-UHFFFAOYSA-N	1	1	418.494	1.097	20	0		HDADMO
C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000728173895	1076365083	/nfs/dbraw/zinc/36/50/83/1076365083.db2.gz	XTTOGTPMTWSVBZ-CABCVRRESA-N	1	1	420.514	1.157	20	0		HDADMO
C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000728173895	1076365088	/nfs/dbraw/zinc/36/50/88/1076365088.db2.gz	XTTOGTPMTWSVBZ-CABCVRRESA-N	1	1	420.514	1.157	20	0		HDADMO
Cc1ccc(OCC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)cc1	ZINC001084540605	1076370810	/nfs/dbraw/zinc/37/08/10/1076370810.db2.gz	MSYMSKUVYMQJOJ-OCFWJZSCSA-N	1	1	400.519	1.958	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)C1	ZINC000729981623	1076405586	/nfs/dbraw/zinc/40/55/86/1076405586.db2.gz	ZKSJRIGFOURZHW-CQSZACIVSA-N	1	1	401.504	1.353	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730127291	1076459057	/nfs/dbraw/zinc/45/90/57/1076459057.db2.gz	NRGFDCGEKPONPL-CVEARBPZSA-N	1	1	411.547	1.238	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(CN3CCCCC3=O)cc2)CC1	ZINC000730219043	1076479967	/nfs/dbraw/zinc/47/99/67/1076479967.db2.gz	UOIGZENVNYHDIT-FQEVSTJZSA-N	1	1	412.534	1.753	20	0		HDADMO
Cc1sc(=O)n(CC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c1-c1ccc(F)cc1	ZINC000730227735	1076484748	/nfs/dbraw/zinc/48/47/48/1076484748.db2.gz	ICKUYGDNARNSIN-CQSZACIVSA-N	1	1	406.527	1.776	20	0		HDADMO
C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1	ZINC000730258569	1076501712	/nfs/dbraw/zinc/50/17/12/1076501712.db2.gz	IUNIQFVBHLBIAB-CQSZACIVSA-N	1	1	410.515	1.670	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730262571	1076504044	/nfs/dbraw/zinc/50/40/44/1076504044.db2.gz	WHPWCFPDFYAAOM-JKSUJKDBSA-N	1	1	420.510	1.552	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730262571	1076504050	/nfs/dbraw/zinc/50/40/50/1076504050.db2.gz	WHPWCFPDFYAAOM-JKSUJKDBSA-N	1	1	420.510	1.552	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000730263892	1076504167	/nfs/dbraw/zinc/50/41/67/1076504167.db2.gz	KBSNDUGUKBDRDS-INIZCTEOSA-N	1	1	404.515	1.114	20	0		HDADMO
C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1	ZINC000730265078	1076505909	/nfs/dbraw/zinc/50/59/09/1076505909.db2.gz	PXCYYHJGELVVIS-NSHDSACASA-N	1	1	410.437	2.000	20	0		HDADMO
NC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1	ZINC000730274525	1076517746	/nfs/dbraw/zinc/51/77/46/1076517746.db2.gz	SMPLLHAITMGIIY-UHFFFAOYSA-N	1	1	406.284	1.314	20	0		HDADMO
COc1cccc([C@@H]2C[C@@H]2C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1	ZINC000730350220	1076548287	/nfs/dbraw/zinc/54/82/87/1076548287.db2.gz	XPEIXZGIYZZFPE-AABGKKOBSA-N	1	1	404.507	1.815	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC1	ZINC000730384964	1076565774	/nfs/dbraw/zinc/56/57/74/1076565774.db2.gz	JSSREAMVHSRYPP-UHFFFAOYSA-N	1	1	402.474	1.094	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000730559711	1076594978	/nfs/dbraw/zinc/59/49/78/1076594978.db2.gz	JQDYTVQVFRRLLY-DLBZAZTESA-N	1	1	412.600	1.925	20	0		HDADMO
COC(=O)NCCC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1	ZINC000730743080	1076645792	/nfs/dbraw/zinc/64/57/92/1076645792.db2.gz	CONOKIFIRPZITQ-UHFFFAOYSA-N	1	1	407.496	1.621	20	0		HDADMO
COC(=O)NCCCC(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1	ZINC000730746606	1076646264	/nfs/dbraw/zinc/64/62/64/1076646264.db2.gz	NCOLDTMGJVLAOE-SFHVURJKSA-N	1	1	402.495	1.245	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)ccc1Cl	ZINC000730787627	1076657901	/nfs/dbraw/zinc/65/79/01/1076657901.db2.gz	NWAVIKAGRHMGJX-HNNXBMFYSA-N	1	1	417.959	1.821	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C1	ZINC000730787599	1076657949	/nfs/dbraw/zinc/65/79/49/1076657949.db2.gz	NEVWNHYCJDQWSA-CQSZACIVSA-N	1	1	417.959	1.819	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)ccc1Cl	ZINC000730787628	1076657960	/nfs/dbraw/zinc/65/79/60/1076657960.db2.gz	NWAVIKAGRHMGJX-OAHLLOKOSA-N	1	1	417.959	1.821	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1	ZINC000730788736	1076658868	/nfs/dbraw/zinc/65/88/68/1076658868.db2.gz	YMTBQULBMDEYMH-OAHLLOKOSA-N	1	1	415.943	1.575	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@@H]1CCCOC1	ZINC000730808617	1076665032	/nfs/dbraw/zinc/66/50/32/1076665032.db2.gz	PHZQRGMNFAQXJC-ULXKQSRTSA-N	1	1	421.563	1.490	20	0		HDADMO
C[NH+]1CCC2(CC1)NC(=O)N(CNC1(c3ccc(Cl)cc3)CCOCC1)C2=O	ZINC000730932407	1076695101	/nfs/dbraw/zinc/69/51/01/1076695101.db2.gz	GQIUSHRQCMQCGD-UHFFFAOYSA-N	1	1	406.914	1.909	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1	ZINC000730935318	1076696112	/nfs/dbraw/zinc/69/61/12/1076696112.db2.gz	CJQCMGNCHFTRRK-HOCLYGCPSA-N	1	1	421.519	1.082	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C1	ZINC000730936062	1076696869	/nfs/dbraw/zinc/69/68/69/1076696869.db2.gz	HUAAZNWYEGHHMJ-GFCCVEGCSA-N	1	1	418.357	1.771	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)COc3ccccc3C=O)c2)C1	ZINC000730970648	1076701657	/nfs/dbraw/zinc/70/16/57/1076701657.db2.gz	LOSKXFXWJXCCAJ-LJQANCHMSA-N	1	1	409.486	1.892	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3Cc4ccccc4C(=O)O3)c2)C1	ZINC000730971386	1076702131	/nfs/dbraw/zinc/70/21/31/1076702131.db2.gz	WEWCTMSYNIVLHQ-FPOVZHCZSA-N	1	1	421.497	1.782	20	0		HDADMO
COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000731039055	1076716938	/nfs/dbraw/zinc/71/69/38/1076716938.db2.gz	PPADCFMAQMWDDO-KIUWMYQTSA-N	1	1	412.508	1.510	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)C1	ZINC000731107220	1076728851	/nfs/dbraw/zinc/72/88/51/1076728851.db2.gz	CTJSKPMQCBTNSZ-KRWDZBQOSA-N	1	1	413.522	1.963	20	0		HDADMO
CCN1CCN(C(=O)CC2CCN(C(=S)NC[C@H]3CCC[N@H+]3CC)CC2)CC1	ZINC000731161813	1076739980	/nfs/dbraw/zinc/73/99/80/1076739980.db2.gz	ATEDCETXVJJMSU-LJQANCHMSA-N	1	1	409.644	1.611	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=S)NCCc3ccccn3)CC2)CC1	ZINC000731163194	1076740111	/nfs/dbraw/zinc/74/01/11/1076740111.db2.gz	YXJTVPOEXDSEMY-UHFFFAOYSA-N	1	1	403.596	1.765	20	0		HDADMO
CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2nccc2[nH]1	ZINC000731210638	1076746587	/nfs/dbraw/zinc/74/65/87/1076746587.db2.gz	WWNJSYZAHJDRAR-UHFFFAOYSA-N	1	1	410.478	1.320	20	0		HDADMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2nccc2[nH]1	ZINC000731210638	1076746590	/nfs/dbraw/zinc/74/65/90/1076746590.db2.gz	WWNJSYZAHJDRAR-UHFFFAOYSA-N	1	1	410.478	1.320	20	0		HDADMO
CCCC1N=NC(=S)N1CC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000731201184	1076753122	/nfs/dbraw/zinc/75/31/22/1076753122.db2.gz	OCDGUUWRRXPYCJ-UHFFFAOYSA-N	1	1	422.599	1.312	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC3CCC4(CC3)OCCO4)CC2)CC1	ZINC000731279947	1076774035	/nfs/dbraw/zinc/77/40/35/1076774035.db2.gz	AXPJFJBPVKXHBU-UHFFFAOYSA-N	1	1	422.570	1.648	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3ncnc4sc5c(c43)CCC5)CC2)C1=O	ZINC001164640034	719279924	/nfs/dbraw/zinc/27/99/24/719279924.db2.gz	NAPDNQPPHYORRR-UHFFFAOYSA-N	1	1	415.563	1.939	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4sc5c(c43)CCC5)CC2)C1=O	ZINC001164640034	719279925	/nfs/dbraw/zinc/27/99/25/719279925.db2.gz	NAPDNQPPHYORRR-UHFFFAOYSA-N	1	1	415.563	1.939	20	0		HDADMO
COc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc(S(C)(=O)=O)n1	ZINC001164648202	719311357	/nfs/dbraw/zinc/31/13/57/719311357.db2.gz	GCJVFGKUURSIEQ-UHFFFAOYSA-N	1	1	408.528	1.290	20	0		HDADMO
COCCOc1cc2ncnc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2cc1OCCOC	ZINC001164667989	719378509	/nfs/dbraw/zinc/37/85/09/719378509.db2.gz	MJHCFTFFZQXMKX-XLIONFOSSA-N	1	1	418.494	1.199	20	0		HDADMO
CNC(=O)CO[C@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2	ZINC001164677672	719555194	/nfs/dbraw/zinc/55/51/94/719555194.db2.gz	QYZIOLSHYLBSMD-LJQANCHMSA-N	1	1	418.538	1.445	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1-c1nc(C)no1	ZINC001164702877	719869531	/nfs/dbraw/zinc/86/95/31/719869531.db2.gz	JFZAORBSBYFTCY-MGPUTAFESA-N	1	1	401.467	1.673	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(S(N)(=O)=O)cc1Cl)C2	ZINC001164815925	720104391	/nfs/dbraw/zinc/10/43/91/720104391.db2.gz	XNEAIHQJTHTWHT-KBXCAEBGSA-N	1	1	414.959	1.567	20	0		HDADMO
CNC(=O)c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nn1	ZINC001164713527	720148314	/nfs/dbraw/zinc/14/83/14/720148314.db2.gz	RIZHWYKUTGHMNX-GOSISDBHSA-N	1	1	410.522	1.739	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)C2	ZINC001164819781	720158335	/nfs/dbraw/zinc/15/83/35/720158335.db2.gz	YBXKESYFSSRVRJ-VGSWGCGISA-N	1	1	413.522	1.940	20	0		HDADMO
CCN(C)c1cc(C)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1	ZINC001164716070	720163419	/nfs/dbraw/zinc/16/34/19/720163419.db2.gz	XKQWLQDOUXRIIC-GOSISDBHSA-N	1	1	414.558	1.586	20	0		HDADMO
CCN(C)c1cc(C)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1	ZINC001164716078	720163971	/nfs/dbraw/zinc/16/39/71/720163971.db2.gz	XKQWLQDOUXRIIC-SFHVURJKSA-N	1	1	414.558	1.586	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)OC)cc(Cl)n3)C2)C1	ZINC001164718454	720217305	/nfs/dbraw/zinc/21/73/05/720217305.db2.gz	MHPIEWGKWATIHU-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)OC)cc(Cl)n3)C2)C1	ZINC001164718454	720217312	/nfs/dbraw/zinc/21/73/12/720217312.db2.gz	MHPIEWGKWATIHU-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nn1	ZINC001164814507	720230842	/nfs/dbraw/zinc/23/08/42/720230842.db2.gz	WCFVJIPNHNTWCD-UHFFFAOYSA-N	1	1	414.510	1.389	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1	ZINC001164719366	720237552	/nfs/dbraw/zinc/23/75/52/720237552.db2.gz	LLGMFTGEFFMWDV-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1	ZINC001164719366	720237560	/nfs/dbraw/zinc/23/75/60/720237560.db2.gz	LLGMFTGEFFMWDV-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4c3CCCC4)C2)C1	ZINC001164720465	720241639	/nfs/dbraw/zinc/24/16/39/720241639.db2.gz	WLFYQKOWBBKCTK-HXUWFJFHSA-N	1	1	407.946	1.674	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4c3CCCC4)C2)C1	ZINC001164720465	720241646	/nfs/dbraw/zinc/24/16/46/720241646.db2.gz	WLFYQKOWBBKCTK-HXUWFJFHSA-N	1	1	407.946	1.674	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(F)c4)nn3)C2)C1	ZINC001164720749	720295250	/nfs/dbraw/zinc/29/52/50/720295250.db2.gz	CVNWJLAQUKMXDG-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(F)c4)nn3)C2)C1	ZINC001164720749	720295262	/nfs/dbraw/zinc/29/52/62/720295262.db2.gz	CVNWJLAQUKMXDG-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(C)cc(OC)cc43)C2)C1	ZINC001164722789	720310733	/nfs/dbraw/zinc/31/07/33/720310733.db2.gz	LLPFVIHNVHLSRG-QFIPXVFZSA-N	1	1	413.522	1.612	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(C)cc(OC)cc43)C2)C1	ZINC001164722789	720310741	/nfs/dbraw/zinc/31/07/41/720310741.db2.gz	LLPFVIHNVHLSRG-QFIPXVFZSA-N	1	1	413.522	1.612	20	0		HDADMO
Clc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCOCC2)n1	ZINC001164726073	720352993	/nfs/dbraw/zinc/35/29/93/720352993.db2.gz	PLNWPVKYZPEDDG-HOTGVXAUSA-N	1	1	401.902	1.610	20	0		HDADMO
Cc1cc2c(nc[nH+]c2N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)[nH]1	ZINC001164822701	720443389	/nfs/dbraw/zinc/44/33/89/720443389.db2.gz	GQTNLWYDQHQALK-INIZCTEOSA-N	1	1	411.510	1.452	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)N(C)CC(=O)N4)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164837349	720562045	/nfs/dbraw/zinc/56/20/45/720562045.db2.gz	LUEZDFZUNVBSDQ-SOLBZPMBSA-N	1	1	410.526	1.439	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)N(C)CC(=O)N4)CC[C@@H]21	ZINC001164837347	720562405	/nfs/dbraw/zinc/56/24/05/720562405.db2.gz	LUEZDFZUNVBSDQ-BQFCYCMXSA-N	1	1	410.526	1.439	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164747592	720609770	/nfs/dbraw/zinc/60/97/70/720609770.db2.gz	ZWKRVGXOHQWHQW-ZIAGYGMSSA-N	1	1	416.507	1.507	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(S(N)(=O)=O)ccn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164841594	720625614	/nfs/dbraw/zinc/62/56/14/720625614.db2.gz	TXGVQGQCTBNBJR-XYJFISCASA-N	1	1	404.540	1.303	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164839840	720631646	/nfs/dbraw/zinc/63/16/46/720631646.db2.gz	OWCYWOKIRQFJHN-GBESFXJTSA-N	1	1	407.526	1.940	20	0		HDADMO
CCOC(=O)c1nnc(Cl)cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164739592	720683408	/nfs/dbraw/zinc/68/34/08/720683408.db2.gz	OBRHRAHQWCMFEM-CHWSQXEVSA-N	1	1	404.858	1.439	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1OCC	ZINC001164739582	720691240	/nfs/dbraw/zinc/69/12/40/720691240.db2.gz	NUUDFURNWZWQRQ-HZPDHXFCSA-N	1	1	413.478	1.789	20	0		HDADMO
COc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164736836	720722391	/nfs/dbraw/zinc/72/23/91/720722391.db2.gz	BLKHJPJVAOZVSS-SJORKVTESA-N	1	1	405.462	1.679	20	0		HDADMO
COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(Cl)n1	ZINC001164743356	720805031	/nfs/dbraw/zinc/80/50/31/720805031.db2.gz	FPBIFKUZMINAHV-RYUDHWBXSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(Cl)n1	ZINC001164743356	720805038	/nfs/dbraw/zinc/80/50/38/720805038.db2.gz	FPBIFKUZMINAHV-RYUDHWBXSA-N	1	1	412.828	1.815	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740189	720822783	/nfs/dbraw/zinc/82/27/83/720822783.db2.gz	JKVUFNWQOHUAMM-SQWLQELKSA-N	1	1	416.917	1.200	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@H]43)c2)CC1	ZINC001164847293	720822828	/nfs/dbraw/zinc/82/28/28/720822828.db2.gz	ITRDNOMJLGDBGT-AABGKKOBSA-N	1	1	416.522	1.845	20	0		HDADMO
CCOC(=O)c1nccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745568	720828390	/nfs/dbraw/zinc/82/83/90/720828390.db2.gz	WUVYLMYZPHZZIN-OKZBNKHCSA-N	1	1	411.510	1.624	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1	ZINC001164850469	720833382	/nfs/dbraw/zinc/83/33/82/720833382.db2.gz	UERMYVBMUQLIST-ZBFHGGJFSA-N	1	1	410.540	1.549	20	0		HDADMO
Clc1[n-][nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncnc1-2	ZINC001164745753	720837067	/nfs/dbraw/zinc/83/70/67/720837067.db2.gz	NEKJRCYXVGEYCX-SOUVJXGZSA-N	1	1	413.917	1.977	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(C(=O)OC)ccc43)CC[C@@H]2C1	ZINC001164853689	720838672	/nfs/dbraw/zinc/83/86/72/720838672.db2.gz	OKOYSGNTXHLDNZ-APWZRJJASA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4ccc(C(=O)OC)cc43)CC[C@H]2C1	ZINC001164848596	720839498	/nfs/dbraw/zinc/83/94/98/720839498.db2.gz	ANRUPDNDEIYISY-QFBILLFUSA-N	1	1	400.479	1.590	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C(=O)NC2=O	ZINC001164751057	720845069	/nfs/dbraw/zinc/84/50/69/720845069.db2.gz	XZJIDYZLUDJLKC-LZLYRXPVSA-N	1	1	421.505	1.245	20	0		HDADMO
CCn1cnc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164746613	720847877	/nfs/dbraw/zinc/84/78/77/720847877.db2.gz	PNFDKWOHOCMGFH-RCCFBDPRSA-N	1	1	407.526	1.817	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164850289	720850666	/nfs/dbraw/zinc/85/06/66/720850666.db2.gz	FDLKURJEOIZWLO-LSDHHAIUSA-N	1	1	412.918	1.409	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164743805	720855038	/nfs/dbraw/zinc/85/50/38/720855038.db2.gz	AALQGBODSAVECD-CEXWTWQISA-N	1	1	420.525	1.337	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)CC[C@H]2C1	ZINC001164859042	720865671	/nfs/dbraw/zinc/86/56/71/720865671.db2.gz	UDHKMCLTHANYAN-ZWKOTPCHSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)CC[C@@H]2C1	ZINC001164856818	720871372	/nfs/dbraw/zinc/87/13/72/720871372.db2.gz	PNVLRJJWTCPSNE-GDBMZVCRSA-N	1	1	423.945	1.668	20	0		HDADMO
NC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164753299	720876182	/nfs/dbraw/zinc/87/61/82/720876182.db2.gz	OTIOZPQQWZATCE-AUSIDOKSSA-N	1	1	422.533	1.726	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CC[C@H]2C1	ZINC001164864625	720883285	/nfs/dbraw/zinc/88/32/85/720883285.db2.gz	WDYWXIAJHDCAMU-PKOBYXMFSA-N	1	1	424.567	1.040	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC[C@@H]2C1	ZINC001164864396	720890385	/nfs/dbraw/zinc/89/03/85/720890385.db2.gz	VQCYGODOIFOYCZ-VXGBXAGGSA-N	1	1	419.309	1.744	20	0		HDADMO
Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)cn1	ZINC001164766629	721039024	/nfs/dbraw/zinc/03/90/24/721039024.db2.gz	RJNHOCBOUQPNQP-VQTJNVASSA-N	1	1	410.522	1.782	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865203	721080822	/nfs/dbraw/zinc/08/08/22/721080822.db2.gz	JLYWLEJLQJPPNJ-SJORKVTESA-N	1	1	413.478	1.537	20	0		HDADMO
COC(=O)c1nc2cnccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1	ZINC001164773931	721152889	/nfs/dbraw/zinc/15/28/89/721152889.db2.gz	ZIDWQZQZYPCESR-HOTGVXAUSA-N	1	1	407.478	1.503	20	0		HDADMO
COCCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164869775	721181145	/nfs/dbraw/zinc/18/11/45/721181145.db2.gz	BINPRFFOTGMMLS-UXHICEINSA-N	1	1	412.490	1.760	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nnc(Cl)c5c4N(C)CCO5)C[C@@H]3C2)cn1	ZINC001164772326	721183835	/nfs/dbraw/zinc/18/38/35/721183835.db2.gz	SEAQOOZEUDVRGG-CABCVRRESA-N	1	1	403.918	1.650	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@H]3C2)cn1	ZINC001164767547	721203976	/nfs/dbraw/zinc/20/39/76/721203976.db2.gz	JZLULYFLXSZXRS-DLBZAZTESA-N	1	1	416.551	1.214	20	0		HDADMO
CCOC(=O)[C@@H]1CCc2nnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2C1	ZINC001164761077	721245294	/nfs/dbraw/zinc/24/52/94/721245294.db2.gz	HGEPGJJDKTVMCU-HBFSDRIKSA-N	1	1	424.549	1.836	20	0		HDADMO
Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1NC1CC1	ZINC001164871845	721260928	/nfs/dbraw/zinc/26/09/28/721260928.db2.gz	ALAAVYFUUMUWFF-UHFFFAOYSA-N	1	1	402.543	1.366	20	0		HDADMO
COc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1NC(C)C	ZINC001164876049	721261548	/nfs/dbraw/zinc/26/15/48/721261548.db2.gz	NGNICUQFHFJPRR-UHFFFAOYSA-N	1	1	420.558	1.313	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@@H](F)Oc3cccc(Cl)n3)CC2)C1	ZINC001164869847	721274649	/nfs/dbraw/zinc/27/46/49/721274649.db2.gz	PZRTZEKTIWLXRT-GOSISDBHSA-N	1	1	414.909	1.870	20	0		HDADMO
COC(=O)c1ccc(C)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164894636	721387569	/nfs/dbraw/zinc/38/75/69/721387569.db2.gz	ZKTOCGQAJGLCMC-AVRDEDQJSA-N	1	1	402.539	1.942	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(Cl)c(C(N)=O)n4)C3)O2)CC1	ZINC001164885575	721387771	/nfs/dbraw/zinc/38/77/71/721387771.db2.gz	COIDGRCHOPGLRO-FOIQADDNSA-N	1	1	407.946	1.599	20	0		HDADMO
COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1N	ZINC001164889842	721399119	/nfs/dbraw/zinc/39/91/19/721399119.db2.gz	MPDBRSRTZMGERB-IERDGZPVSA-N	1	1	403.527	1.216	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1C	ZINC001164887668	721404907	/nfs/dbraw/zinc/40/49/07/721404907.db2.gz	LZMNFCPDZYAXPN-PGRDOPGGSA-N	1	1	402.539	1.942	20	0		HDADMO
CCOC(=O)c1cncc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890942	721408983	/nfs/dbraw/zinc/40/89/83/721408983.db2.gz	UMNZFHVTLSXNMK-UTKZUKDTSA-N	1	1	403.527	1.419	20	0		HDADMO
CCOC(=O)c1nccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164889469	721411260	/nfs/dbraw/zinc/41/12/60/721411260.db2.gz	QWMIXHDLPCRUDW-LAUBAEHRSA-N	1	1	403.527	1.419	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)C3)O2)CC1	ZINC001164891343	721414331	/nfs/dbraw/zinc/41/43/31/721414331.db2.gz	VKJCIUPGEGFONA-BTYIYWSLSA-N	1	1	419.957	1.995	20	0		HDADMO
CN(C)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2nc[nH]c21	ZINC001164886568	721419897	/nfs/dbraw/zinc/41/98/97/721419897.db2.gz	JZABIBDIQITRKY-HRAATJIYSA-N	1	1	414.558	1.184	20	0		HDADMO
CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164888292	721420536	/nfs/dbraw/zinc/42/05/36/721420536.db2.gz	NYVVZDODTONKHZ-AVRDEDQJSA-N	1	1	417.602	1.826	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CC5)nn4)C3)O2)CC1	ZINC001164899431	721441592	/nfs/dbraw/zinc/44/15/92/721441592.db2.gz	YLPDWOQNPAVPBX-AVRDEDQJSA-N	1	1	414.554	1.134	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(NC(N)=S)cn4)C3)O2)CC1	ZINC001164894243	721443380	/nfs/dbraw/zinc/44/33/80/721443380.db2.gz	LDIPFCLYAMMNBJ-FXAWDEMLSA-N	1	1	404.584	1.503	20	0		HDADMO
CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2	ZINC001164898874	721501970	/nfs/dbraw/zinc/50/19/70/721501970.db2.gz	VNXNSTDBFWFYIV-SFHVURJKSA-N	1	1	416.570	1.376	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCOCC3)n2)[C@@H]2CCCO[C@H]12	ZINC001164807291	721565348	/nfs/dbraw/zinc/56/53/48/721565348.db2.gz	SNIWRHFDOQXGIW-SBHAEUEKSA-N	1	1	410.522	1.576	20	0		HDADMO
COC(=O)c1ncnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC	ZINC001164910741	721568076	/nfs/dbraw/zinc/56/80/76/721568076.db2.gz	XIILLCZFQKRNPZ-GDBMZVCRSA-N	1	1	402.426	1.753	20	0		HDADMO
COC(=O)c1ncnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC	ZINC001164910758	721568139	/nfs/dbraw/zinc/56/81/39/721568139.db2.gz	XIILLCZFQKRNPZ-ZBFHGGJFSA-N	1	1	402.426	1.753	20	0		HDADMO
CCOC(=O)Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nn1	ZINC001164806705	721568333	/nfs/dbraw/zinc/56/83/33/721568333.db2.gz	RELMRXIEVUZFQX-IPJJNNNSSA-N	1	1	411.506	1.845	20	0		HDADMO
CCOC(=O)Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nn1	ZINC001164806705	721568339	/nfs/dbraw/zinc/56/83/39/721568339.db2.gz	RELMRXIEVUZFQX-IPJJNNNSSA-N	1	1	411.506	1.845	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1	ZINC001164806190	721576722	/nfs/dbraw/zinc/57/67/22/721576722.db2.gz	PGFGBCFAFBXMHJ-WSTZPKSXSA-N	1	1	417.535	1.253	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1	ZINC001164806190	721576725	/nfs/dbraw/zinc/57/67/25/721576725.db2.gz	PGFGBCFAFBXMHJ-WSTZPKSXSA-N	1	1	417.535	1.253	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@H]21	ZINC001165026686	721828560	/nfs/dbraw/zinc/82/85/60/721828560.db2.gz	PGFOJBUSDUYRAZ-USXIJHARSA-N	1	1	402.524	1.256	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)CC1	ZINC001164926999	721872386	/nfs/dbraw/zinc/87/23/86/721872386.db2.gz	UGACTFVMFRFOPB-MSOLQXFVSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)CC1	ZINC001164926999	721872387	/nfs/dbraw/zinc/87/23/87/721872387.db2.gz	UGACTFVMFRFOPB-MSOLQXFVSA-N	1	1	402.543	1.081	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164935108	721881206	/nfs/dbraw/zinc/88/12/06/721881206.db2.gz	VZRLUGKHODHHBI-ZWKOTPCHSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164935108	721881208	/nfs/dbraw/zinc/88/12/08/721881208.db2.gz	VZRLUGKHODHHBI-ZWKOTPCHSA-N	1	1	409.600	1.763	20	0		HDADMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(N)(=O)=O)cn4)CC3)C2)cc1	ZINC001164938911	721924946	/nfs/dbraw/zinc/92/49/46/721924946.db2.gz	AWRLLIGZWYSAMM-UHFFFAOYSA-N	1	1	416.547	1.909	20	0		HDADMO
O=C1COc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2N1	ZINC001164963156	722056189	/nfs/dbraw/zinc/05/61/89/722056189.db2.gz	HSOJCBMAKQDBFY-UHFFFAOYSA-N	1	1	409.490	1.927	20	0		HDADMO
CN1CCN(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1	ZINC001164978364	722102096	/nfs/dbraw/zinc/10/20/96/722102096.db2.gz	GTATXHBIQMTXIR-NHCUHLMSSA-N	1	1	423.565	1.351	20	0		HDADMO
CN1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1	ZINC001164978364	722102097	/nfs/dbraw/zinc/10/20/97/722102097.db2.gz	GTATXHBIQMTXIR-NHCUHLMSSA-N	1	1	423.565	1.351	20	0		HDADMO
NC(=O)c1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl	ZINC001164980832	722103357	/nfs/dbraw/zinc/10/33/57/722103357.db2.gz	KOJJHSXZYBTEBN-WBVHZDCISA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164981277	722107080	/nfs/dbraw/zinc/10/70/80/722107080.db2.gz	KXPCTLHGIXQQDQ-HOCLYGCPSA-N	1	1	402.886	1.351	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164983731	722129087	/nfs/dbraw/zinc/12/90/87/722129087.db2.gz	ZLDXUQQBQGJYPS-MSOLQXFVSA-N	1	1	417.535	1.112	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(N4CCCCC4)nn2)CC3)CC1	ZINC001164996593	722229187	/nfs/dbraw/zinc/22/91/87/722229187.db2.gz	KJILEPFODOXNPO-UHFFFAOYSA-N	1	1	408.554	1.614	20	0		HDADMO
COc1cnc(SC)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997117	722230169	/nfs/dbraw/zinc/23/01/69/722230169.db2.gz	QFLRCZURCJKXHY-UHFFFAOYSA-N	1	1	401.540	1.354	20	0		HDADMO
COC(=O)c1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ccc1Cl	ZINC001164997128	722233402	/nfs/dbraw/zinc/23/34/02/722233402.db2.gz	LHIUFLHHRYUKBM-UHFFFAOYSA-N	1	1	416.913	1.669	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996656	722234017	/nfs/dbraw/zinc/23/40/17/722234017.db2.gz	HSPXSRBKGKTWPS-UHFFFAOYSA-N	1	1	417.901	1.064	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(=O)NC4CC4)cn2)CC3)CC1	ZINC001164997235	722234644	/nfs/dbraw/zinc/23/46/44/722234644.db2.gz	OHLBCUUZKBOEDV-UHFFFAOYSA-N	1	1	407.522	1.121	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2cc(N4CCCCC4)ncn2)CC3)CC1	ZINC001165001539	722237268	/nfs/dbraw/zinc/23/72/68/722237268.db2.gz	IFLQQYFUFHIOPS-UHFFFAOYSA-N	1	1	408.554	1.614	20	0		HDADMO
COC(=O)C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000429046401	1073462441	/nfs/dbraw/zinc/46/24/41/1073462441.db2.gz	NJCJXIBVQAOVHM-MOPGFXCFSA-N	1	1	405.495	1.251	20	0		HDADMO
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000429047823	1073467481	/nfs/dbraw/zinc/46/74/81/1073467481.db2.gz	ZDAPFCLBHIFXLA-JOCHJYFZSA-N	1	1	402.539	1.900	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4ccsc4[nH]2)C3)O1	ZINC001004561808	1073478234	/nfs/dbraw/zinc/47/82/34/1073478234.db2.gz	SNBZJTZODPLEEJ-VONAGELPSA-N	1	1	402.520	1.810	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4ccsc4[nH]2)C3)O1	ZINC001004561808	1073478238	/nfs/dbraw/zinc/47/82/38/1073478238.db2.gz	SNBZJTZODPLEEJ-VONAGELPSA-N	1	1	402.520	1.810	20	0		HDADMO
CCOC(=O)[C@@H](C)CNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000429057479	1073489162	/nfs/dbraw/zinc/48/91/62/1073489162.db2.gz	ADYIUFXFWYCEDF-AWEZNQCLSA-N	1	1	406.483	1.404	20	0		HDADMO
Cc1nnc(COCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)s1	ZINC000509097325	1073521714	/nfs/dbraw/zinc/52/17/14/1073521714.db2.gz	JHXUJHGBUMGIMP-OAHLLOKOSA-N	1	1	403.508	1.699	20	0		HDADMO
CNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1	ZINC000027965984	1073582899	/nfs/dbraw/zinc/58/28/99/1073582899.db2.gz	BNRVFQNMQNDDBV-GFCCVEGCSA-N	1	1	405.451	1.045	20	0		HDADMO
Cc1ccc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1S(N)(=O)=O	ZINC000673655284	1073584178	/nfs/dbraw/zinc/58/41/78/1073584178.db2.gz	KIGURUHZGJGNOA-CALCHBBNSA-N	1	1	408.568	1.273	20	0		HDADMO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000429105791	1073591578	/nfs/dbraw/zinc/59/15/78/1073591578.db2.gz	VVLIBYUUVSVMGN-ICSRJNTNSA-N	1	1	400.571	1.908	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000429110948	1073608253	/nfs/dbraw/zinc/60/82/53/1073608253.db2.gz	CFPJOHQRTMMXKQ-UHFFFAOYSA-N	1	1	405.499	1.071	20	0		HDADMO
CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673670024	1073625406	/nfs/dbraw/zinc/62/54/06/1073625406.db2.gz	OIMLDRLBUPUULR-XZOQPEGZSA-N	1	1	414.594	1.904	20	0		HDADMO
CN(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl	ZINC000673673086	1073628196	/nfs/dbraw/zinc/62/81/96/1073628196.db2.gz	QIQPKGZMMQINPO-DNVCBOLYSA-N	1	1	412.937	1.605	20	0		HDADMO
CC(C)(NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673673193	1073628661	/nfs/dbraw/zinc/62/86/61/1073628661.db2.gz	RRNRBTHZKUKNTK-SFHVURJKSA-N	1	1	403.527	1.109	20	0		HDADMO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673675369	1073630794	/nfs/dbraw/zinc/63/07/94/1073630794.db2.gz	NFECARCDHAXASX-FPOVZHCZSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673675369	1073630811	/nfs/dbraw/zinc/63/08/11/1073630811.db2.gz	NFECARCDHAXASX-FPOVZHCZSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCN1Cc1ccccn1	ZINC000673675369	1073630819	/nfs/dbraw/zinc/63/08/19/1073630819.db2.gz	NFECARCDHAXASX-FPOVZHCZSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000673713585	1073652647	/nfs/dbraw/zinc/65/26/47/1073652647.db2.gz	DZQPQDDOUPSJIP-VQIMIIECSA-N	1	1	416.547	1.867	20	0		HDADMO
CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1	ZINC000673713792	1073653425	/nfs/dbraw/zinc/65/34/25/1073653425.db2.gz	GCPIZOIWFYKFEK-FCHUYYIVSA-N	1	1	402.583	1.666	20	0		HDADMO
CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1	ZINC000673713792	1073653430	/nfs/dbraw/zinc/65/34/30/1073653430.db2.gz	GCPIZOIWFYKFEK-FCHUYYIVSA-N	1	1	402.583	1.666	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NC)C1	ZINC001545674756	1073656914	/nfs/dbraw/zinc/65/69/14/1073656914.db2.gz	KYSOIMYEWVYMMI-HKUYNNGSSA-N	1	1	413.570	1.957	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)COCC(=O)NCc1cccnc1	ZINC000673749060	1073672571	/nfs/dbraw/zinc/67/25/71/1073672571.db2.gz	DBENWQFRGHJEAY-IBGZPJMESA-N	1	1	410.518	1.837	20	0		HDADMO
C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673741352	1073674276	/nfs/dbraw/zinc/67/42/76/1073674276.db2.gz	WMGCGALITNZKSD-DOTOQJQBSA-N	1	1	412.538	1.308	20	0		HDADMO
C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673741352	1073674282	/nfs/dbraw/zinc/67/42/82/1073674282.db2.gz	WMGCGALITNZKSD-DOTOQJQBSA-N	1	1	412.538	1.308	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1	ZINC000429120027	1073685044	/nfs/dbraw/zinc/68/50/44/1073685044.db2.gz	BQYMETWJGBSMDY-UHFFFAOYSA-N	1	1	417.959	1.732	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2CC1	ZINC000946688347	1073694214	/nfs/dbraw/zinc/69/42/14/1073694214.db2.gz	PSORMCXXLJMQPQ-ZVSVDHOESA-N	1	1	401.551	1.497	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1	ZINC000429126560	1073697575	/nfs/dbraw/zinc/69/75/75/1073697575.db2.gz	HWIHZKOBUCNEPN-APWZRJJASA-N	1	1	408.568	1.478	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1	ZINC000673773673	1073705812	/nfs/dbraw/zinc/70/58/12/1073705812.db2.gz	UTBYHLUGHMIVNU-SFHVURJKSA-N	1	1	422.595	1.964	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCN1CCCS1(=O)=O	ZINC000673773960	1073708561	/nfs/dbraw/zinc/70/85/61/1073708561.db2.gz	YVWUEWZGAUPKJD-SFHVURJKSA-N	1	1	408.568	1.718	20	0		HDADMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1	ZINC000673786003	1073732368	/nfs/dbraw/zinc/73/23/68/1073732368.db2.gz	JZOWZMFNWCWWSG-IBGZPJMESA-N	1	1	412.534	1.938	20	0		HDADMO
C[C@@H](CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1	ZINC000673777943	1073734191	/nfs/dbraw/zinc/73/41/91/1073734191.db2.gz	QGZSXZTYRSLDBV-RBBKRZOGSA-N	1	1	417.598	1.603	20	0		HDADMO
C[C@@H](CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1	ZINC000673777943	1073734196	/nfs/dbraw/zinc/73/41/96/1073734196.db2.gz	QGZSXZTYRSLDBV-RBBKRZOGSA-N	1	1	417.598	1.603	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)Cc3nccs3)cc2)CC1	ZINC000673786819	1073740081	/nfs/dbraw/zinc/74/00/81/1073740081.db2.gz	ODCMEJBCGKKHLX-UHFFFAOYSA-N	1	1	415.519	1.518	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@H](C)C1	ZINC000429142866	1073763347	/nfs/dbraw/zinc/76/33/47/1073763347.db2.gz	OLENRLSVHNSWFL-APWZRJJASA-N	1	1	411.568	1.978	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@@H](C)C1	ZINC000429142868	1073763436	/nfs/dbraw/zinc/76/34/36/1073763436.db2.gz	OLENRLSVHNSWFL-LPHOPBHVSA-N	1	1	411.568	1.978	20	0		HDADMO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1	ZINC000501238174	1073766169	/nfs/dbraw/zinc/76/61/69/1073766169.db2.gz	RIMFQJQFWIWRAJ-QGZVFWFLSA-N	1	1	417.554	1.249	20	0		HDADMO
CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@H](C(=O)Nc3ccccn3)C1)n2C	ZINC000673833052	1073800865	/nfs/dbraw/zinc/80/08/65/1073800865.db2.gz	UBEOOJQQXSLMIX-AWEZNQCLSA-N	1	1	407.478	1.920	20	0		HDADMO
CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673837176	1073811160	/nfs/dbraw/zinc/81/11/60/1073811160.db2.gz	DZQFEAKCCWYAQP-GOSISDBHSA-N	1	1	417.945	1.620	20	0		HDADMO
CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673837176	1073811177	/nfs/dbraw/zinc/81/11/77/1073811177.db2.gz	DZQFEAKCCWYAQP-GOSISDBHSA-N	1	1	417.945	1.620	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@@H](C)[C@@H](OC)C1	ZINC000466545654	1073838613	/nfs/dbraw/zinc/83/86/13/1073838613.db2.gz	PHDCOHWKLUUEMO-BEFAXECRSA-N	1	1	404.511	1.972	20	0		HDADMO
O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000673879193	1073851622	/nfs/dbraw/zinc/85/16/22/1073851622.db2.gz	WQSOQRSHVMLFKS-ICSRJNTNSA-N	1	1	421.505	1.345	20	0		HDADMO
COCCOCc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1	ZINC000673892283	1073864566	/nfs/dbraw/zinc/86/45/66/1073864566.db2.gz	ZAXBCMNFJHHRAA-UHFFFAOYSA-N	1	1	405.495	1.111	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1	ZINC000509176823	1073929809	/nfs/dbraw/zinc/92/98/09/1073929809.db2.gz	CPPOGCTWRJSZDJ-LBPRGKRZSA-N	1	1	409.405	1.170	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)cs1	ZINC000466565073	1073949946	/nfs/dbraw/zinc/94/99/46/1073949946.db2.gz	HCSAMMYAHULWDJ-MRXNPFEDSA-N	1	1	406.556	1.337	20	0		HDADMO
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](CCO)CCN1CCOCC1	ZINC000484377423	1073961815	/nfs/dbraw/zinc/96/18/15/1073961815.db2.gz	LHBLYXSQJRTYDE-UHFFFAOYSA-N	1	1	415.538	1.444	20	0		HDADMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CS(=O)(=O)CCO1	ZINC000509182196	1073964314	/nfs/dbraw/zinc/96/43/14/1073964314.db2.gz	HIPCBSNHICFXBD-IBGZPJMESA-N	1	1	421.519	1.524	20	0		HDADMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CS(=O)(=O)CCO1	ZINC000509182196	1073964319	/nfs/dbraw/zinc/96/43/19/1073964319.db2.gz	HIPCBSNHICFXBD-IBGZPJMESA-N	1	1	421.519	1.524	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCC[N@@H+](C)C1CCCCC1	ZINC000543523695	1073996885	/nfs/dbraw/zinc/99/68/85/1073996885.db2.gz	HQHSBJFOCIVKKD-UHFFFAOYSA-N	1	1	416.522	1.541	20	0		HDADMO
O=C(CC[N@@H+](CCO)CCN1CCOCC1)Nc1ccc(Br)cc1F	ZINC000484426719	1074000609	/nfs/dbraw/zinc/00/06/09/1074000609.db2.gz	VTFTXYQBFZTSOJ-UHFFFAOYSA-N	1	1	418.307	1.543	20	0		HDADMO
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000509188414	1074002900	/nfs/dbraw/zinc/00/29/00/1074002900.db2.gz	ZUQDOVPPTQHMJD-SFHVURJKSA-N	1	1	412.538	1.495	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1	ZINC000429187595	1074004111	/nfs/dbraw/zinc/00/41/11/1074004111.db2.gz	WYQPDDLAIDQUEK-UHFFFAOYSA-N	1	1	417.558	1.031	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1	ZINC000429187595	1074004117	/nfs/dbraw/zinc/00/41/17/1074004117.db2.gz	WYQPDDLAIDQUEK-UHFFFAOYSA-N	1	1	417.558	1.031	20	0		HDADMO
CC(C)C[C@@H]1C[C@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1	ZINC000509192035	1074025164	/nfs/dbraw/zinc/02/51/64/1074025164.db2.gz	OVQXUTIEJAYRCJ-AZUAARDMSA-N	1	1	414.550	1.883	20	0		HDADMO
O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1	ZINC000429191440	1074034083	/nfs/dbraw/zinc/03/40/83/1074034083.db2.gz	GYZYRBAGVMKSFN-VQTJNVASSA-N	1	1	410.522	1.380	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1	ZINC000466594053	1074049203	/nfs/dbraw/zinc/04/92/03/1074049203.db2.gz	WPNLUMKVDHYFCM-OALUTQOASA-N	1	1	402.543	1.078	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1	ZINC000466594053	1074049208	/nfs/dbraw/zinc/04/92/08/1074049208.db2.gz	WPNLUMKVDHYFCM-OALUTQOASA-N	1	1	402.543	1.078	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1	ZINC000466594053	1074049213	/nfs/dbraw/zinc/04/92/13/1074049213.db2.gz	WPNLUMKVDHYFCM-OALUTQOASA-N	1	1	402.543	1.078	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1	ZINC000466601662	1074065864	/nfs/dbraw/zinc/06/58/64/1074065864.db2.gz	OHLUHUCWWDVJBT-GIVPXCGWSA-N	1	1	414.550	1.632	20	0		HDADMO
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000229083955	1074078024	/nfs/dbraw/zinc/07/80/24/1074078024.db2.gz	AUSLGVNCSFHEOV-UYAOXDASSA-N	1	1	416.566	1.843	20	0		HDADMO
O=C(COc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCOCC1	ZINC000674026123	1074093621	/nfs/dbraw/zinc/09/36/21/1074093621.db2.gz	SXDPDNFUTQRYAU-QGZVFWFLSA-N	1	1	402.495	1.530	20	0		HDADMO
CC(C)N1C[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)CC1=O	ZINC000509210640	1074134058	/nfs/dbraw/zinc/13/40/58/1074134058.db2.gz	LMGRHHHWZUPTPA-NJYVYQBISA-N	1	1	409.534	1.761	20	0		HDADMO
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000509213909	1074145449	/nfs/dbraw/zinc/14/54/49/1074145449.db2.gz	XGWBSNZTLZEVOD-UHFFFAOYSA-N	1	1	422.469	1.862	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1	ZINC000509214847	1074149685	/nfs/dbraw/zinc/14/96/85/1074149685.db2.gz	AWJGFZWHMHOPKB-SFHVURJKSA-N	1	1	416.570	1.400	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC[C@H]1CS(=O)(=O)CCO1	ZINC000509214023	1074152391	/nfs/dbraw/zinc/15/23/91/1074152391.db2.gz	WWMUCYUFGFWNRH-GJZGRUSLSA-N	1	1	401.554	1.073	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCC1	ZINC000674091302	1074181298	/nfs/dbraw/zinc/18/12/98/1074181298.db2.gz	MHZBPEYLPSODFG-MSOLQXFVSA-N	1	1	417.554	1.137	20	0		HDADMO
CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1	ZINC000140837504	1074183382	/nfs/dbraw/zinc/18/33/82/1074183382.db2.gz	APARIXFQYHRSMW-APWZRJJASA-N	1	1	418.538	1.827	20	0		HDADMO
CNC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1	ZINC000140837504	1074183385	/nfs/dbraw/zinc/18/33/85/1074183385.db2.gz	APARIXFQYHRSMW-APWZRJJASA-N	1	1	418.538	1.827	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCO)[C@H]1CCc2ccccc21	ZINC000674158677	1074195575	/nfs/dbraw/zinc/19/55/75/1074195575.db2.gz	IELHBMULSIKROD-CTNGQTDRSA-N	1	1	402.539	1.084	20	0		HDADMO
O=C(NC[C@@H]1SCCc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674159731	1074196211	/nfs/dbraw/zinc/19/62/11/1074196211.db2.gz	OPAWFJCRYYYLMI-QUCCMNQESA-N	1	1	404.580	1.723	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1	ZINC000674160742	1074196671	/nfs/dbraw/zinc/19/66/71/1074196671.db2.gz	YSQYNWKJMNEJNQ-GOSISDBHSA-N	1	1	408.568	1.199	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1	ZINC000674160742	1074196678	/nfs/dbraw/zinc/19/66/78/1074196678.db2.gz	YSQYNWKJMNEJNQ-GOSISDBHSA-N	1	1	408.568	1.199	20	0		HDADMO
COCC(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000674168820	1074201037	/nfs/dbraw/zinc/20/10/37/1074201037.db2.gz	NRVOQAKJEQGMEX-XLIONFOSSA-N	1	1	402.539	1.834	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1	ZINC000674225960	1074233539	/nfs/dbraw/zinc/23/35/39/1074233539.db2.gz	NVEZLLGMGLXSRS-LIRRHRJNSA-N	1	1	412.465	1.890	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccncc1	ZINC000674229223	1074235974	/nfs/dbraw/zinc/23/59/74/1074235974.db2.gz	UUMKXDFTBXDJFV-QGZVFWFLSA-N	1	1	423.517	1.257	20	0		HDADMO
Cc1nn(C)c(=O)c(-c2nc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cs2)c1C	ZINC000674249249	1074243098	/nfs/dbraw/zinc/24/30/98/1074243098.db2.gz	LLXUQOPPGOOMLW-QGZVFWFLSA-N	1	1	403.552	1.817	20	0		HDADMO
CC(C)N(CCCNC(=O)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)S(C)(=O)=O	ZINC000674251748	1074243356	/nfs/dbraw/zinc/24/33/56/1074243356.db2.gz	PKDCJULAYXEZLP-FQEVSTJZSA-N	1	1	424.611	1.369	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C	ZINC000429224366	1074244664	/nfs/dbraw/zinc/24/46/64/1074244664.db2.gz	BIYOADWPKWYHCF-ZWKOTPCHSA-N	1	1	412.513	1.864	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C	ZINC000429224366	1074244668	/nfs/dbraw/zinc/24/46/68/1074244668.db2.gz	BIYOADWPKWYHCF-ZWKOTPCHSA-N	1	1	412.513	1.864	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000674267247	1074248482	/nfs/dbraw/zinc/24/84/82/1074248482.db2.gz	SGNVQIFJAMHSAS-HNNXBMFYSA-N	1	1	419.576	1.908	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)C[N@H+]1C1CC1	ZINC000674300620	1074264235	/nfs/dbraw/zinc/26/42/35/1074264235.db2.gz	LYSIQQBDQDPFRQ-APWZRJJASA-N	1	1	415.534	1.740	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000674307937	1074266563	/nfs/dbraw/zinc/26/65/63/1074266563.db2.gz	MCJKARKTPSZWOO-NSISKUIASA-N	1	1	400.523	1.283	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)CCC(C)C)cc2)CC1	ZINC000674321417	1074272383	/nfs/dbraw/zinc/27/23/83/1074272383.db2.gz	ZRBNLOBAZYAIGZ-UHFFFAOYSA-N	1	1	402.539	1.836	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCNC(=O)C[C@H]3C)cc2)CC1	ZINC000674319221	1074279620	/nfs/dbraw/zinc/27/96/20/1074279620.db2.gz	SSJOOHAMVYTKFG-MRXNPFEDSA-N	1	1	401.511	1.136	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1	ZINC000674330901	1074285867	/nfs/dbraw/zinc/28/58/67/1074285867.db2.gz	AXGSKTPOJPXCBG-MJGOQNOKSA-N	1	1	423.583	1.173	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C1	ZINC000674428393	1074317088	/nfs/dbraw/zinc/31/70/88/1074317088.db2.gz	XCWJOEGEMQJWKT-WOYCLPQFSA-N	1	1	407.559	1.764	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000674427694	1074331122	/nfs/dbraw/zinc/33/11/22/1074331122.db2.gz	QWZZPYVPVOOCMM-SVMVAKDDSA-N	1	1	413.522	1.671	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1	ZINC000674433811	1074332368	/nfs/dbraw/zinc/33/23/68/1074332368.db2.gz	ZVKYZRQHLMXILV-GOSISDBHSA-N	1	1	400.589	1.708	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1=O	ZINC000674437912	1074335716	/nfs/dbraw/zinc/33/57/16/1074335716.db2.gz	FKPMTGJBOVXVLR-PGRDOPGGSA-N	1	1	413.522	1.624	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)c1	ZINC000674440591	1074337159	/nfs/dbraw/zinc/33/71/59/1074337159.db2.gz	PNNXUQACZKSOGJ-PGRDOPGGSA-N	1	1	413.522	1.543	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CCN2C1=O	ZINC000674468340	1074365905	/nfs/dbraw/zinc/36/59/05/1074365905.db2.gz	NZNGIKDLKDRRJW-OCCSQVGLSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CCN2C1=O	ZINC000674470021	1074368365	/nfs/dbraw/zinc/36/83/65/1074368365.db2.gz	NXMWDMZUZKYFPU-IAQYHMDHSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CCN2C1=O	ZINC000674471525	1074370238	/nfs/dbraw/zinc/37/02/38/1074370238.db2.gz	GGTFJMQZOOQAHA-OCCSQVGLSA-N	1	1	402.278	1.701	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000674500616	1074395948	/nfs/dbraw/zinc/39/59/48/1074395948.db2.gz	YEHMWLLORKPLJY-SFHVURJKSA-N	1	1	409.552	1.247	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)(C)C	ZINC001626100602	1074409908	/nfs/dbraw/zinc/40/99/08/1074409908.db2.gz	JEPYJGDALMJDLX-MRXNPFEDSA-N	1	1	413.559	1.923	20	0		HDADMO
CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC001273134446	1074418977	/nfs/dbraw/zinc/41/89/77/1074418977.db2.gz	RGKULZKDZZULCN-DOTOQJQBSA-N	1	1	421.485	1.885	20	0		HDADMO
CC(C)N(C[C@H](C)O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674563673	1074441116	/nfs/dbraw/zinc/44/11/16/1074441116.db2.gz	DXJPKEBGHYOJOY-KRWDZBQOSA-N	1	1	405.543	1.520	20	0		HDADMO
CCN(C(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000674611095	1074478872	/nfs/dbraw/zinc/47/88/72/1074478872.db2.gz	CBVOGNYNHRNUEL-IBGZPJMESA-N	1	1	401.555	1.849	20	0		HDADMO
CC(C)([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccccc1F	ZINC000429233845	1074479865	/nfs/dbraw/zinc/47/98/65/1074479865.db2.gz	APISTCHRXNQSSV-JKSUJKDBSA-N	1	1	412.527	1.845	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C	ZINC000674615554	1074485966	/nfs/dbraw/zinc/48/59/66/1074485966.db2.gz	ITNYZBBFTXSZIF-MRXNPFEDSA-N	1	1	402.948	1.620	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC[C@@H](C)[N@@H+]1CCc3sccc3C1)CC2	ZINC000674615692	1074486501	/nfs/dbraw/zinc/48/65/01/1074486501.db2.gz	RHVXMFWGGWDJLM-CQSZACIVSA-N	1	1	401.536	1.839	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC[C@@H](C)[N@H+]1CCc3sccc3C1)CC2	ZINC000674615692	1074486504	/nfs/dbraw/zinc/48/65/04/1074486504.db2.gz	RHVXMFWGGWDJLM-CQSZACIVSA-N	1	1	401.536	1.839	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC(Cc2ccc(F)c(F)c2)C1	ZINC000674630900	1074495073	/nfs/dbraw/zinc/49/50/73/1074495073.db2.gz	JBTSSHRSNKNCOQ-SFHVURJKSA-N	1	1	408.493	1.555	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1	ZINC000674644363	1074502145	/nfs/dbraw/zinc/50/21/45/1074502145.db2.gz	UAJHPSOLOBZUOD-LAUBAEHRSA-N	1	1	407.559	1.860	20	0		HDADMO
C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)NCCC[NH+]1CCOCC1	ZINC000670479555	1074508369	/nfs/dbraw/zinc/50/83/69/1074508369.db2.gz	QPLGWVIDHYHPCZ-QGZVFWFLSA-N	1	1	405.539	1.706	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)C[C@@H]1C	ZINC000674714751	1074533834	/nfs/dbraw/zinc/53/38/34/1074533834.db2.gz	AMOQVEQZLCUCBD-MAUKXSAKSA-N	1	1	401.511	1.952	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000674707634	1074535581	/nfs/dbraw/zinc/53/55/81/1074535581.db2.gz	NCUIRHFXDKOSRQ-KRWDZBQOSA-N	1	1	407.511	1.979	20	0		HDADMO
Cc1ccc2cccc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)c2n1	ZINC000674709699	1074537695	/nfs/dbraw/zinc/53/76/95/1074537695.db2.gz	GWEFRVGIJMDXAK-KRWDZBQOSA-N	1	1	402.520	1.646	20	0		HDADMO
Cc1ccc2cccc(S(=O)(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)c2n1	ZINC000674709699	1074537698	/nfs/dbraw/zinc/53/76/98/1074537698.db2.gz	GWEFRVGIJMDXAK-KRWDZBQOSA-N	1	1	402.520	1.646	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc(OC)c1	ZINC000674774149	1074552214	/nfs/dbraw/zinc/55/22/14/1074552214.db2.gz	QVWAQRGZJPLHDR-KRWDZBQOSA-N	1	1	404.511	1.636	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc(OC)c1	ZINC000674774149	1074552225	/nfs/dbraw/zinc/55/22/25/1074552225.db2.gz	QVWAQRGZJPLHDR-KRWDZBQOSA-N	1	1	404.511	1.636	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1	ZINC000674764247	1074558146	/nfs/dbraw/zinc/55/81/46/1074558146.db2.gz	SPJREUNKHOMPAL-SFHVURJKSA-N	1	1	405.462	1.334	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1	ZINC000674799071	1074561947	/nfs/dbraw/zinc/56/19/47/1074561947.db2.gz	AHUSHTSFQXIDOG-CQSZACIVSA-N	1	1	412.456	1.720	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1	ZINC000674799071	1074561950	/nfs/dbraw/zinc/56/19/50/1074561950.db2.gz	AHUSHTSFQXIDOG-CQSZACIVSA-N	1	1	412.456	1.720	20	0		HDADMO
COc1ccc(CNC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1	ZINC000670486259	1074597884	/nfs/dbraw/zinc/59/78/84/1074597884.db2.gz	SEQBQXOQXIDQBF-UHFFFAOYSA-N	1	1	402.539	1.328	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc(OC)c1	ZINC000674879671	1074599927	/nfs/dbraw/zinc/59/99/27/1074599927.db2.gz	WOAZOOXSVPRFMT-GOSISDBHSA-N	1	1	404.511	1.588	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc(OC)c1	ZINC000674879671	1074599935	/nfs/dbraw/zinc/59/99/35/1074599935.db2.gz	WOAZOOXSVPRFMT-GOSISDBHSA-N	1	1	404.511	1.588	20	0		HDADMO
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000674892613	1074608625	/nfs/dbraw/zinc/60/86/25/1074608625.db2.gz	LFBMQXCRIMJBLJ-PBHICJAKSA-N	1	1	408.449	1.576	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1	ZINC000674917483	1074614120	/nfs/dbraw/zinc/61/41/20/1074614120.db2.gz	KTKPFSOCSRRZBC-RTWAWAEBSA-N	1	1	402.539	1.523	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1	ZINC000674907087	1074614783	/nfs/dbraw/zinc/61/47/83/1074614783.db2.gz	RGDRXBPWKHRLRG-IPMKNSEASA-N	1	1	402.495	1.548	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1	ZINC000674907087	1074614787	/nfs/dbraw/zinc/61/47/87/1074614787.db2.gz	RGDRXBPWKHRLRG-IPMKNSEASA-N	1	1	402.495	1.548	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)c2)CCO1	ZINC000674921254	1074622362	/nfs/dbraw/zinc/62/23/62/1074622362.db2.gz	ZFMOPFVUXMBMMR-JRGCBEDISA-N	1	1	403.523	1.997	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)c2)CCO1	ZINC000674921254	1074622366	/nfs/dbraw/zinc/62/23/66/1074622366.db2.gz	ZFMOPFVUXMBMMR-JRGCBEDISA-N	1	1	403.523	1.997	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC000674922704	1074623084	/nfs/dbraw/zinc/62/30/84/1074623084.db2.gz	GZXGGGSSRVBWLA-UXHICEINSA-N	1	1	403.527	1.183	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000674924422	1074623735	/nfs/dbraw/zinc/62/37/35/1074623735.db2.gz	GCFDULJGQNBSFE-CEXWTWQISA-N	1	1	403.527	1.182	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1	ZINC000674926552	1074624346	/nfs/dbraw/zinc/62/43/46/1074624346.db2.gz	CIPQXSIEUFFWIM-MSOLQXFVSA-N	1	1	401.555	1.742	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1	ZINC000674926552	1074624354	/nfs/dbraw/zinc/62/43/54/1074624354.db2.gz	CIPQXSIEUFFWIM-MSOLQXFVSA-N	1	1	401.555	1.742	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O	ZINC000674926506	1074624935	/nfs/dbraw/zinc/62/49/35/1074624935.db2.gz	BSVIFQVWWLYLDN-FUHWJXTLSA-N	1	1	415.538	1.268	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O	ZINC000674926506	1074624944	/nfs/dbraw/zinc/62/49/44/1074624944.db2.gz	BSVIFQVWWLYLDN-FUHWJXTLSA-N	1	1	415.538	1.268	20	0		HDADMO
CC(C)c1cc(NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)no1	ZINC000536984098	1074658526	/nfs/dbraw/zinc/65/85/26/1074658526.db2.gz	OCLGILQZJMLZNR-HZPDHXFCSA-N	1	1	422.526	1.853	20	0		HDADMO
Cc1c(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cccc1N1CCOC1=O	ZINC000766086361	1074659075	/nfs/dbraw/zinc/65/90/75/1074659075.db2.gz	JWWQGOVJQGVFKF-SFHVURJKSA-N	1	1	415.494	1.722	20	0		HDADMO
C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)Nc3cnn(CCO)c3)c2)C[C@H](C)O1	ZINC000674994292	1074669342	/nfs/dbraw/zinc/66/93/42/1074669342.db2.gz	NOJOMSDKCLYMIW-GJZGRUSLSA-N	1	1	401.467	1.062	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)cc1)[NH+]1CCOCC1	ZINC000675007407	1074687199	/nfs/dbraw/zinc/68/71/99/1074687199.db2.gz	QYXYWESVNCNBBZ-KRWDZBQOSA-N	1	1	419.522	1.408	20	0		HDADMO
COCCCOCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC001128931187	1074693371	/nfs/dbraw/zinc/69/33/71/1074693371.db2.gz	JPNRLUZWBUMIAA-UHFFFAOYSA-N	1	1	415.332	1.978	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000675086186	1074702227	/nfs/dbraw/zinc/70/22/27/1074702227.db2.gz	PQDZUKVVFJQUSS-DCGLDWPTSA-N	1	1	412.893	1.009	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000675086186	1074702235	/nfs/dbraw/zinc/70/22/35/1074702235.db2.gz	PQDZUKVVFJQUSS-DCGLDWPTSA-N	1	1	412.893	1.009	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)s1	ZINC000438285881	1074706524	/nfs/dbraw/zinc/70/65/24/1074706524.db2.gz	TYPFJTHSTCFCRP-UHFFFAOYSA-N	1	1	418.523	2.528	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)NCc2nc3ccccc3n2CC)CC[N@@H+]1CCOC	ZINC000785475497	1074710022	/nfs/dbraw/zinc/71/00/22/1074710022.db2.gz	VQFIWMWTYPCITR-KRWDZBQOSA-N	1	1	415.538	1.632	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)NCc2nc3ccccc3n2CC)CC[N@H+]1CCOC	ZINC000785475497	1074710031	/nfs/dbraw/zinc/71/00/31/1074710031.db2.gz	VQFIWMWTYPCITR-KRWDZBQOSA-N	1	1	415.538	1.632	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O	ZINC000675098233	1074710167	/nfs/dbraw/zinc/71/01/67/1074710167.db2.gz	WHDJTQXCKCITAD-OALUTQOASA-N	1	1	413.522	1.229	20	0		HDADMO
CN(C[C@H](O)C1CC1)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000675091567	1074713940	/nfs/dbraw/zinc/71/39/40/1074713940.db2.gz	VEJRUOISTPTXMV-IBGZPJMESA-N	1	1	404.511	1.260	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)nn1-c1ccc(F)cc1F	ZINC000554767468	1074713955	/nfs/dbraw/zinc/71/39/55/1074713955.db2.gz	YRVNIGPSPVGUIY-KRWDZBQOSA-N	1	1	405.449	2.196	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)nn1-c1ccc(F)cc1F	ZINC000554767468	1074713964	/nfs/dbraw/zinc/71/39/64/1074713964.db2.gz	YRVNIGPSPVGUIY-KRWDZBQOSA-N	1	1	405.449	2.196	20	0		HDADMO
COCCSc1ccc([C@@H](C)NC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1	ZINC000509309026	1074715417	/nfs/dbraw/zinc/71/54/17/1074715417.db2.gz	AFUCVEWBABONNJ-MRXNPFEDSA-N	1	1	408.568	1.949	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000804218243	1074719136	/nfs/dbraw/zinc/71/91/36/1074719136.db2.gz	QTGDUHIXESWDAP-WNRNVDISSA-N	1	1	424.586	1.985	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)CCN2C1=O	ZINC000675105511	1074721234	/nfs/dbraw/zinc/72/12/34/1074721234.db2.gz	OWDCDMSNNHYAJS-YQQAZPJKSA-N	1	1	419.551	1.809	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1	ZINC000467922418	1074722467	/nfs/dbraw/zinc/72/24/67/1074722467.db2.gz	WOCDLTTVQUXYIX-IYBDPMFKSA-N	1	1	415.519	2.239	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)CC2)C1	ZINC000675111850	1074724556	/nfs/dbraw/zinc/72/45/56/1074724556.db2.gz	IHTKEGREFTZZPY-IRXDYDNUSA-N	1	1	406.962	1.735	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000467923672	1074724605	/nfs/dbraw/zinc/72/46/05/1074724605.db2.gz	YSSQSJTYBODXAV-OAHLLOKOSA-N	1	1	403.508	2.287	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1nnc(-c2ccccc2)s1	ZINC000642443485	1074725653	/nfs/dbraw/zinc/72/56/53/1074725653.db2.gz	KWUDTCNOWAUCDE-UHFFFAOYSA-N	1	1	424.534	2.329	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675134251	1074727795	/nfs/dbraw/zinc/72/77/95/1074727795.db2.gz	DYTXDFINRSKKDB-QZTJIDSGSA-N	1	1	410.522	1.728	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CCCc3n[nH]cc32)cc1	ZINC000675136238	1074728508	/nfs/dbraw/zinc/72/85/08/1074728508.db2.gz	KUKDNZFKXLOYOE-GOSISDBHSA-N	1	1	410.522	1.679	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1	ZINC000675127037	1074730999	/nfs/dbraw/zinc/73/09/99/1074730999.db2.gz	YXYSGCCBWJNMSC-FUHWJXTLSA-N	1	1	404.474	1.985	20	0		HDADMO
O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccccc1CN1CCNC1=O	ZINC000543615390	1074735096	/nfs/dbraw/zinc/73/50/96/1074735096.db2.gz	ZSTXXUFEUBXGND-WOJBJXKFSA-N	1	1	423.517	1.969	20	0		HDADMO
C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[N@H+]1CCCC[C@@H]1C	ZINC000543615342	1074738479	/nfs/dbraw/zinc/73/84/79/1074738479.db2.gz	YMVJEKNXKABUBJ-IRXDYDNUSA-N	1	1	402.543	1.854	20	0		HDADMO
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cnn(-c2cc[nH+]cc2)c1	ZINC001005550982	1074747161	/nfs/dbraw/zinc/74/71/61/1074747161.db2.gz	ITBKADAPUKIYEY-UJCQGIJZSA-N	1	1	419.485	1.552	20	0		HDADMO
C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl	ZINC000766096817	1074754024	/nfs/dbraw/zinc/75/40/24/1074754024.db2.gz	IFSJRTVCNLDYDM-QLFBSQMISA-N	1	1	414.959	1.735	20	0		HDADMO
O=C(Cn1c[nH+]c2c1CCCC2)N1CCC(NS(=O)(=O)c2ccccc2)CC1	ZINC000543616766	1074766416	/nfs/dbraw/zinc/76/64/16/1074766416.db2.gz	NJQXLAVEBYCSQL-UHFFFAOYSA-N	1	1	402.520	1.731	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nn1C	ZINC000555294259	1074772652	/nfs/dbraw/zinc/77/26/52/1074772652.db2.gz	TVAIDMNKZZRELC-LEWJYISDSA-N	1	1	417.513	2.451	20	0		HDADMO
C[C@H](O)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000675272887	1074782801	/nfs/dbraw/zinc/78/28/01/1074782801.db2.gz	HZKPASSMYNDGIO-TYPHKJRUSA-N	1	1	404.555	1.247	20	0		HDADMO
C[C@H](O)C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000675272882	1074782890	/nfs/dbraw/zinc/78/28/90/1074782890.db2.gz	HZKPASSMYNDGIO-JBACZVJFSA-N	1	1	404.555	1.247	20	0		HDADMO
C[C@H](O)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000675272878	1074782975	/nfs/dbraw/zinc/78/29/75/1074782975.db2.gz	HZKPASSMYNDGIO-CEWLAPEOSA-N	1	1	404.555	1.247	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC3(CC2)OCc2ccccc23)C1	ZINC000675325848	1074806997	/nfs/dbraw/zinc/80/69/97/1074806997.db2.gz	SHYVUNXCKHVXGS-FQEVSTJZSA-N	1	1	401.551	1.981	20	0		HDADMO
Cc1noc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)n1	ZINC000509324831	1075101447	/nfs/dbraw/zinc/10/14/47/1075101447.db2.gz	SGWUYFWWFXHAIW-SFHVURJKSA-N	1	1	413.478	1.555	20	0		HDADMO
COC(=O)c1cc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1C	ZINC000429338563	1075104640	/nfs/dbraw/zinc/10/46/40/1075104640.db2.gz	MVQZOBBUFXJVSJ-OAQYLSRUSA-N	1	1	400.479	1.912	20	0		HDADMO
CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000546585053	1075104716	/nfs/dbraw/zinc/10/47/16/1075104716.db2.gz	FIXQXWFNKHZZMX-GOEBONIOSA-N	1	1	404.471	2.196	20	0		HDADMO
CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000546585053	1075104719	/nfs/dbraw/zinc/10/47/19/1075104719.db2.gz	FIXQXWFNKHZZMX-GOEBONIOSA-N	1	1	404.471	2.196	20	0		HDADMO
C[N@H+]1CCN(CCNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1(C)C	ZINC000670513308	1075116429	/nfs/dbraw/zinc/11/64/29/1075116429.db2.gz	NGGNZUGWIMBOIR-UHFFFAOYSA-N	1	1	414.472	1.506	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000429249635	1075118431	/nfs/dbraw/zinc/11/84/31/1075118431.db2.gz	SQIFOQHJGPENAF-HNNXBMFYSA-N	1	1	407.540	1.832	20	0		HDADMO
CN(C(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000675379828	1075119169	/nfs/dbraw/zinc/11/91/69/1075119169.db2.gz	QRNSAMFAKXGBSJ-PBHICJAKSA-N	1	1	422.888	1.396	20	0		HDADMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(N2CCNC(=O)C2)ccn1	ZINC000429341952	1075130159	/nfs/dbraw/zinc/13/01/59/1075130159.db2.gz	UDNIRHQUYGODQC-FQEVSTJZSA-N	1	1	423.517	1.039	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC1CCN(CC(F)F)CC1	ZINC000670524811	1075143668	/nfs/dbraw/zinc/14/36/68/1075143668.db2.gz	FLFMWTASIPNGII-MRXNPFEDSA-N	1	1	412.481	1.769	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1	ZINC000444511332	1075147303	/nfs/dbraw/zinc/14/73/03/1075147303.db2.gz	WZWSMIQVXXVHID-INIZCTEOSA-N	1	1	419.551	1.948	20	0		HDADMO
CC(C)C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1	ZINC000670526665	1075148161	/nfs/dbraw/zinc/14/81/61/1075148161.db2.gz	LVBMVSSHXHCPNB-MOPGFXCFSA-N	1	1	409.571	1.848	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCO[C@H](c2ccco2)C1	ZINC000670527232	1075151550	/nfs/dbraw/zinc/15/15/50/1075151550.db2.gz	VSXUGYIZBCWSEA-SFHVURJKSA-N	1	1	405.495	1.331	20	0		HDADMO
CCc1cc(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)on1	ZINC000766134900	1075152372	/nfs/dbraw/zinc/15/23/72/1075152372.db2.gz	HVYRGXPXHWEZCC-LBPRGKRZSA-N	1	1	401.510	1.813	20	0		HDADMO
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1	ZINC000543627679	1075152700	/nfs/dbraw/zinc/15/27/00/1075152700.db2.gz	YVJCLQFUQDRSFY-UHFFFAOYSA-N	1	1	421.523	1.290	20	0		HDADMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1	ZINC000675457944	1075156846	/nfs/dbraw/zinc/15/68/46/1075156846.db2.gz	BHHBZTYWKKIOKN-CXAGYDPISA-N	1	1	424.904	1.501	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1NS(C)(=O)=O	ZINC000675465719	1075161385	/nfs/dbraw/zinc/16/13/85/1075161385.db2.gz	GSBBIKMXZLXNCH-DZGCQCFKSA-N	1	1	415.581	1.887	20	0		HDADMO
COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccccc1	ZINC000498760688	1075165531	/nfs/dbraw/zinc/16/55/31/1075165531.db2.gz	CSHWQIQRVHMBFI-LJQANCHMSA-N	1	1	413.522	1.984	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)CC[N@@H+]1CCO	ZINC000429351679	1075168028	/nfs/dbraw/zinc/16/80/28/1075168028.db2.gz	GBHGQIDAYWTASQ-HNNXBMFYSA-N	1	1	416.478	1.436	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)CC[N@H+]1CCO	ZINC000429351679	1075168030	/nfs/dbraw/zinc/16/80/30/1075168030.db2.gz	GBHGQIDAYWTASQ-HNNXBMFYSA-N	1	1	416.478	1.436	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466681205	1075168985	/nfs/dbraw/zinc/16/89/85/1075168985.db2.gz	NJOLDLMVATZKMX-VQIMIIECSA-N	1	1	421.501	1.934	20	0		HDADMO
CC[C@@H](NC(=O)c1ccc(=O)n(CCOC)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675501078	1075179264	/nfs/dbraw/zinc/17/92/64/1075179264.db2.gz	WHLMMZQKSTTWEC-NHCUHLMSSA-N	1	1	413.518	1.904	20	0		HDADMO
CC[C@@H](NC(=O)c1ccc(=O)n(CCOC)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675501078	1075179270	/nfs/dbraw/zinc/17/92/70/1075179270.db2.gz	WHLMMZQKSTTWEC-NHCUHLMSSA-N	1	1	413.518	1.904	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1	ZINC000429356580	1075183190	/nfs/dbraw/zinc/18/31/90/1075183190.db2.gz	UBQBKSJSSKPMCC-UHFFFAOYSA-N	1	1	416.526	1.328	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1	ZINC000429356580	1075183192	/nfs/dbraw/zinc/18/31/92/1075183192.db2.gz	UBQBKSJSSKPMCC-UHFFFAOYSA-N	1	1	416.526	1.328	20	0		HDADMO
CC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500499	1075185610	/nfs/dbraw/zinc/18/56/10/1075185610.db2.gz	VVRJQDDIDKASDI-FHWLQOOXSA-N	1	1	409.552	1.206	20	0		HDADMO
CC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500499	1075185611	/nfs/dbraw/zinc/18/56/11/1075185611.db2.gz	VVRJQDDIDKASDI-FHWLQOOXSA-N	1	1	409.552	1.206	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC(S(C)(=O)=O)CC3)CC2)cc1	ZINC000675504418	1075186263	/nfs/dbraw/zinc/18/62/63/1075186263.db2.gz	GNOSGNAKBMSKMR-UHFFFAOYSA-N	1	1	407.580	1.538	20	0		HDADMO
O=C(Nc1ccn(CCN2CCOCC2)n1)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000522829788	1075186528	/nfs/dbraw/zinc/18/65/28/1075186528.db2.gz	YJHXZFYWMDLCRB-UHFFFAOYSA-N	1	1	412.538	1.955	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn([C@H](C)COC)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446847164	1075188192	/nfs/dbraw/zinc/18/81/92/1075188192.db2.gz	JGJWAHSAAGFYHU-MJGOQNOKSA-N	1	1	413.522	2.152	20	0		HDADMO
C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1nc(-c2ccc(Br)cc2)no1	ZINC000675512077	1075190573	/nfs/dbraw/zinc/19/05/73/1075190573.db2.gz	ITKNZUYBBGSADY-GFCCVEGCSA-N	1	1	408.300	1.924	20	0		HDADMO
C[NH+](C)C[C@H]1CN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c2ccccc2O1	ZINC000675511766	1075191097	/nfs/dbraw/zinc/19/10/97/1075191097.db2.gz	VOOVVCAZRDGWBS-HNNXBMFYSA-N	1	1	420.469	1.614	20	0		HDADMO
O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000533003347	1075193882	/nfs/dbraw/zinc/19/38/82/1075193882.db2.gz	WXRBLTYPEUMVPX-ICSRJNTNSA-N	1	1	422.533	1.935	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466685142	1075201362	/nfs/dbraw/zinc/20/13/62/1075201362.db2.gz	WBEOGFZTYONOPX-YJBOKZPZSA-N	1	1	415.515	1.808	20	0		HDADMO
Cc1c(C(=O)N[C@@H](C)CCS(C)(=O)=O)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000675572962	1075208872	/nfs/dbraw/zinc/20/88/72/1075208872.db2.gz	FCGDAQFOHBKYTM-ZDUSSCGKSA-N	1	1	405.524	1.117	20	0		HDADMO
CN(C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675576857	1075210371	/nfs/dbraw/zinc/21/03/71/1075210371.db2.gz	TUFVSCLZOFCBMS-SPEDKVCISA-N	1	1	413.522	1.623	20	0		HDADMO
COc1cccc(-n2ccnc2SCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1	ZINC000675577724	1075210545	/nfs/dbraw/zinc/21/05/45/1075210545.db2.gz	YTDWOWKRTQKRBJ-UHFFFAOYSA-N	1	1	417.535	1.205	20	0		HDADMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ncn(CC(=O)N(C)C)n1	ZINC000475844961	1075216212	/nfs/dbraw/zinc/21/62/12/1075216212.db2.gz	NOEWNEOHWFCOJV-SFHVURJKSA-N	1	1	413.526	1.742	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@@H+]1CCc2ccccc2C1	ZINC000675587182	1075216322	/nfs/dbraw/zinc/21/63/22/1075216322.db2.gz	XOXDACXJEMIOGL-OXJNMPFZSA-N	1	1	411.506	1.564	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@H+]1CCc2ccccc2C1	ZINC000675587182	1075216324	/nfs/dbraw/zinc/21/63/24/1075216324.db2.gz	XOXDACXJEMIOGL-OXJNMPFZSA-N	1	1	411.506	1.564	20	0		HDADMO
COC(=O)c1cc(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)ccn1	ZINC000429363091	1075217797	/nfs/dbraw/zinc/21/77/97/1075217797.db2.gz	IKKGHPLUJZMUEI-SFHVURJKSA-N	1	1	410.474	1.496	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1	ZINC000675603762	1075221096	/nfs/dbraw/zinc/22/10/96/1075221096.db2.gz	BWGFHVWGFAVMRV-UHFFFAOYSA-N	1	1	424.505	1.648	20	0		HDADMO
Cc1ccc(C(=O)NCCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(O)c1	ZINC000675605278	1075221641	/nfs/dbraw/zinc/22/16/41/1075221641.db2.gz	LDTALJFHGRWIFO-SFHVURJKSA-N	1	1	402.539	1.447	20	0		HDADMO
Cc1ccc(C(=O)NCCC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1	ZINC000675605278	1075221644	/nfs/dbraw/zinc/22/16/44/1075221644.db2.gz	LDTALJFHGRWIFO-SFHVURJKSA-N	1	1	402.539	1.447	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000490443542	1075228908	/nfs/dbraw/zinc/22/89/08/1075228908.db2.gz	KAUXYUYTAFRIMQ-GFCCVEGCSA-N	1	1	410.400	1.825	20	0		HDADMO
O=C(Nc1ncn(C2CCCCC2)n1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000463965600	1075231040	/nfs/dbraw/zinc/23/10/40/1075231040.db2.gz	RJSOKQYWGWSMJB-SFHVURJKSA-N	1	1	412.494	1.927	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3OCC(F)F)CC2)C1	ZINC000675594283	1075231832	/nfs/dbraw/zinc/23/18/32/1075231832.db2.gz	SDTBIJNDEKAGBU-HNNXBMFYSA-N	1	1	410.465	1.507	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc(C(=O)OC)nn3)cc2)CC1	ZINC000619633029	1075232401	/nfs/dbraw/zinc/23/24/01/1075232401.db2.gz	ZFQSKORQNQVSEU-UHFFFAOYSA-N	1	1	412.494	1.722	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1	ZINC000509356273	1075233624	/nfs/dbraw/zinc/23/36/24/1075233624.db2.gz	HGJGXVJOXBMZTQ-FUHWJXTLSA-N	1	1	405.543	1.657	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[N@H+]1Cc1ccccc1	ZINC000675598593	1075236817	/nfs/dbraw/zinc/23/68/17/1075236817.db2.gz	ZXJMDBUGSJIKDB-POAQFYNOSA-N	1	1	411.506	1.780	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000426928065	1075243110	/nfs/dbraw/zinc/24/31/10/1075243110.db2.gz	XHTMINNNVQCRBI-PKOBYXMFSA-N	1	1	413.522	2.152	20	0		HDADMO
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000675663861	1075251361	/nfs/dbraw/zinc/25/13/61/1075251361.db2.gz	QXZUQPPBSSOSTH-BHYGNILZSA-N	1	1	413.515	1.252	20	0		HDADMO
CO[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1Cl	ZINC000675685422	1075254326	/nfs/dbraw/zinc/25/43/26/1075254326.db2.gz	WFIVBPPSDZSEEH-MOPGFXCFSA-N	1	1	423.941	1.857	20	0		HDADMO
CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)c2)CC1	ZINC000509362685	1075256172	/nfs/dbraw/zinc/25/61/72/1075256172.db2.gz	BHQSGMKEXKSIPB-FQEVSTJZSA-N	1	1	416.547	1.864	20	0		HDADMO
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000675699207	1075260067	/nfs/dbraw/zinc/26/00/67/1075260067.db2.gz	RKUPZHHAQRBPAZ-WMLDXEAASA-N	1	1	422.551	1.302	20	0		HDADMO
Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1	ZINC000429374361	1075262624	/nfs/dbraw/zinc/26/26/24/1075262624.db2.gz	VGGUGVFRUFIHFC-AWEZNQCLSA-N	1	1	401.490	1.855	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1NS(C)(=O)=O	ZINC000675757808	1075265157	/nfs/dbraw/zinc/26/51/57/1075265157.db2.gz	SCCJMSQVATXLLI-CZUORRHYSA-N	1	1	415.581	1.744	20	0		HDADMO
NC(=O)C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1	ZINC000544456185	1075268764	/nfs/dbraw/zinc/26/87/64/1075268764.db2.gz	FUNMIQKOGNHHHS-HIFRSBDPSA-N	1	1	402.264	1.375	20	0		HDADMO
O=C(CCCOc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675799754	1075272608	/nfs/dbraw/zinc/27/26/08/1075272608.db2.gz	KHCZJVTURXDIKJ-KRWDZBQOSA-N	1	1	405.495	1.097	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccnc1-n1cncn1	ZINC000429380789	1075274127	/nfs/dbraw/zinc/27/41/27/1075274127.db2.gz	GHOZSLWDGUSAET-OAQYLSRUSA-N	1	1	407.478	1.763	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC(COc2ccc(Cl)nc2)CC1)C1CC1	ZINC000804221200	1075275693	/nfs/dbraw/zinc/27/56/93/1075275693.db2.gz	JCHVQWAOUNAEAD-UHFFFAOYSA-N	1	1	408.930	1.953	20	0		HDADMO
C[C@H](CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)CN1CC[NH+](C)CC1	ZINC000429381809	1075275809	/nfs/dbraw/zinc/27/58/09/1075275809.db2.gz	BICJXCCFMJLYMO-QAPCUYQASA-N	1	1	407.946	1.628	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466697457	1075277068	/nfs/dbraw/zinc/27/70/68/1075277068.db2.gz	QXBCMYXUZOVTTI-RHSMWYFYSA-N	1	1	416.503	1.052	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466697458	1075277238	/nfs/dbraw/zinc/27/72/38/1075277238.db2.gz	QXBCMYXUZOVTTI-WMLDXEAASA-N	1	1	416.503	1.052	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCCCC[C@@H]3C)n2)c1C	ZINC000434582926	1075278028	/nfs/dbraw/zinc/27/80/28/1075278028.db2.gz	DVHWIYGWJDFBNO-AWEZNQCLSA-N	1	1	400.483	2.076	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H](C)S[C@@H](C)C3)n2)c1C	ZINC000572940752	1075278719	/nfs/dbraw/zinc/27/87/19/1075278719.db2.gz	VJEIJKOWIWTSHR-BETUJISGSA-N	1	1	418.523	1.638	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[N@H+]1Cc1ccccc1	ZINC000466701866	1075282172	/nfs/dbraw/zinc/28/21/72/1075282172.db2.gz	GZHOKAOGWSLYGU-WMLDXEAASA-N	1	1	408.458	1.735	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466705818	1075284534	/nfs/dbraw/zinc/28/45/34/1075284534.db2.gz	PAVHOCBFIXNIMD-APWZRJJASA-N	1	1	421.501	1.934	20	0		HDADMO
Cc1ccc(Cc2nnc(NC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)s2)cc1	ZINC000594937793	1075286548	/nfs/dbraw/zinc/28/65/48/1075286548.db2.gz	WISAATZZGBECLF-MRXNPFEDSA-N	1	1	416.551	2.146	20	0		HDADMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1	ZINC000479117037	1075300147	/nfs/dbraw/zinc/30/01/47/1075300147.db2.gz	CTWSKENCCDWLSV-ZDUSSCGKSA-N	1	1	402.322	1.567	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)[nH+]c1	ZINC000410121871	1075303932	/nfs/dbraw/zinc/30/39/32/1075303932.db2.gz	AYQWAVGSNGQVOQ-HNNXBMFYSA-N	1	1	402.451	1.660	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C2)nc(C)[nH+]1	ZINC000731294477	1075305197	/nfs/dbraw/zinc/30/51/97/1075305197.db2.gz	LXDDDJPQQCFBQM-ULQDDVLXSA-N	1	1	400.479	1.781	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)c3ccc(S(=O)(=O)N(C)C)o3)C2)nc(C)[nH+]1	ZINC000731296119	1075305519	/nfs/dbraw/zinc/30/55/19/1075305519.db2.gz	GGFJWHAARGAXAP-AWEZNQCLSA-N	1	1	408.480	1.763	20	0		HDADMO
CNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)c1	ZINC000731296060	1075305542	/nfs/dbraw/zinc/30/55/42/1075305542.db2.gz	DFURXGGMUUIEEP-MRXNPFEDSA-N	1	1	404.492	1.827	20	0		HDADMO
CCS(=O)(=O)c1ccc2oc(CN3CCN([C@H]4CCC[N@@H+](C)C4)CC3)nc2c1	ZINC000675965529	1075310307	/nfs/dbraw/zinc/31/03/07/1075310307.db2.gz	XSDYTSQPJJAVOQ-INIZCTEOSA-N	1	1	406.552	1.833	20	0		HDADMO
CCS(=O)(=O)c1ccc2oc(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)nc2c1	ZINC000675965556	1075310609	/nfs/dbraw/zinc/31/06/09/1075310609.db2.gz	XSDYTSQPJJAVOQ-MRXNPFEDSA-N	1	1	406.552	1.833	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)CC2)CC1	ZINC000731350932	1075314262	/nfs/dbraw/zinc/31/42/62/1075314262.db2.gz	GJOLHKHZYZOBLT-HSZRJFAPSA-N	1	1	413.518	1.561	20	0		HDADMO
Cn1cc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(C(F)(F)F)n1	ZINC000731350758	1075314303	/nfs/dbraw/zinc/31/43/03/1075314303.db2.gz	FOLVLZMQVFEFCC-UHFFFAOYSA-N	1	1	401.433	1.455	20	0		HDADMO
CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731351810	1075315021	/nfs/dbraw/zinc/31/50/21/1075315021.db2.gz	ZODAUFMFSWJSJP-PGMHBOJBSA-N	1	1	412.534	1.566	20	0		HDADMO
Cc1n[nH]c(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1Br	ZINC000731351800	1075315085	/nfs/dbraw/zinc/31/50/85/1075315085.db2.gz	YZLHHXWARUDJKI-UHFFFAOYSA-N	1	1	412.332	1.497	20	0		HDADMO
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731352904	1075315696	/nfs/dbraw/zinc/31/56/96/1075315696.db2.gz	WNYJDOVYJPBILH-GOSISDBHSA-N	1	1	424.545	1.904	20	0		HDADMO
Cc1cc(C)n2c(nc(=S)n2CN2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1	ZINC000731354009	1075316904	/nfs/dbraw/zinc/31/69/04/1075316904.db2.gz	BXWWNTRFERBECL-UHFFFAOYSA-N	1	1	417.583	1.711	20	0		HDADMO
CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1	ZINC000731355215	1075318313	/nfs/dbraw/zinc/31/83/13/1075318313.db2.gz	ZBEXLZBNOCLNNT-UHFFFAOYSA-N	1	1	421.519	1.997	20	0		HDADMO
Cc1cc(-n2c(C)cn(CN3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)c2=O)no1	ZINC000731355655	1075319338	/nfs/dbraw/zinc/31/93/38/1075319338.db2.gz	FQVIOMPKPWZBAP-UHFFFAOYSA-N	1	1	416.526	1.077	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)nc2ccccc12	ZINC000675994327	1075319737	/nfs/dbraw/zinc/31/97/37/1075319737.db2.gz	AJWYXERMQYCLCH-QGZVFWFLSA-N	1	1	409.538	1.524	20	0		HDADMO
COc1c(C)cc(C)cc1S(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000509374670	1075319781	/nfs/dbraw/zinc/31/97/81/1075319781.db2.gz	HXMMWYPCNMXHND-UHFFFAOYSA-N	1	1	423.579	1.877	20	0		HDADMO
COc1ccc2c(c1)OCC[C@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000675996754	1075320200	/nfs/dbraw/zinc/32/02/00/1075320200.db2.gz	VBBZWBAMXMGPHV-QZTJIDSGSA-N	1	1	402.495	1.467	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1	ZINC000731401003	1075330119	/nfs/dbraw/zinc/33/01/19/1075330119.db2.gz	IUJLQAOWHSFRMX-KZNAEPCWSA-N	1	1	423.535	1.624	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1	ZINC000731405026	1075331558	/nfs/dbraw/zinc/33/15/58/1075331558.db2.gz	CKOPMGNFCIPVDB-UHFFFAOYSA-N	1	1	419.445	1.574	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1	ZINC000676055068	1075334113	/nfs/dbraw/zinc/33/41/13/1075334113.db2.gz	CUDHOVJROFHNDY-UCLAIMLFSA-N	1	1	407.536	1.499	20	0		HDADMO
C[C@H]1C[C@H](CCNC(=O)C(=O)NCCOc2cccnc2)C[N@H+]1Cc1ccccc1	ZINC000804078045	1075338469	/nfs/dbraw/zinc/33/84/69/1075338469.db2.gz	UEVMNATTYOJAJG-ICSRJNTNSA-N	1	1	410.518	1.994	20	0		HDADMO
C[N@H+](CCOC(C)(C)C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000676042397	1075338799	/nfs/dbraw/zinc/33/87/99/1075338799.db2.gz	XLTWYJCPDJDEFR-UHFFFAOYSA-N	1	1	408.518	1.655	20	0		HDADMO
C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000676042397	1075338803	/nfs/dbraw/zinc/33/88/03/1075338803.db2.gz	XLTWYJCPDJDEFR-UHFFFAOYSA-N	1	1	408.518	1.655	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000804084040	1075351365	/nfs/dbraw/zinc/35/13/65/1075351365.db2.gz	KKQSPBIXGMJDKK-LJQANCHMSA-N	1	1	422.533	1.121	20	0		HDADMO
O=C(Nc1cnn(-c2ccncc2)c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000676092037	1075352823	/nfs/dbraw/zinc/35/28/23/1075352823.db2.gz	TZGSLUOQGYLSFZ-UHFFFAOYSA-N	1	1	405.462	1.382	20	0		HDADMO
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c1	ZINC000731467248	1075357614	/nfs/dbraw/zinc/35/76/14/1075357614.db2.gz	NVODTVJYVAWFIM-INIZCTEOSA-N	1	1	423.560	1.619	20	0		HDADMO
CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Cl)cc1	ZINC000676096876	1075358400	/nfs/dbraw/zinc/35/84/00/1075358400.db2.gz	GAUIZPZILGCLEM-KRWDZBQOSA-N	1	1	406.918	1.456	20	0		HDADMO
CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1	ZINC000731472079	1075358863	/nfs/dbraw/zinc/35/88/63/1075358863.db2.gz	LDUMPRAXYNRZQA-QGZVFWFLSA-N	1	1	403.450	1.803	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1	ZINC000429396514	1075359052	/nfs/dbraw/zinc/35/90/52/1075359052.db2.gz	BQDOHNOTIVRCSL-BBWFWOEESA-N	1	1	422.595	1.706	20	0		HDADMO
Cc1c(C(=O)NCCNC(=O)OC(C)(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731473640	1075359992	/nfs/dbraw/zinc/35/99/92/1075359992.db2.gz	YGMMCUIAJDAWRH-UHFFFAOYSA-N	1	1	414.510	1.818	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1	ZINC000731456888	1075364221	/nfs/dbraw/zinc/36/42/21/1075364221.db2.gz	BAAUMYOLCMXYKS-UHFFFAOYSA-N	1	1	412.494	1.478	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000731482585	1075366303	/nfs/dbraw/zinc/36/63/03/1075366303.db2.gz	MQGDCHJJVRCBMX-SJORKVTESA-N	1	1	409.552	1.700	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000731482585	1075366307	/nfs/dbraw/zinc/36/63/07/1075366307.db2.gz	MQGDCHJJVRCBMX-SJORKVTESA-N	1	1	409.552	1.700	20	0		HDADMO
COCC[NH+]1CCN(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CC1	ZINC000429399624	1075377637	/nfs/dbraw/zinc/37/76/37/1075377637.db2.gz	CPGYZWNPCVZCKG-UHFFFAOYSA-N	1	1	417.535	1.547	20	0		HDADMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804087319	1075378338	/nfs/dbraw/zinc/37/83/38/1075378338.db2.gz	FXGIQWBCIJJPSO-ULQDDVLXSA-N	1	1	410.559	1.739	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[N@H+]1C1CC1	ZINC000804088257	1075380170	/nfs/dbraw/zinc/38/01/70/1075380170.db2.gz	BIZQUHKIQZONGC-UGUYLWEFSA-N	1	1	408.543	1.680	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O	ZINC000466713537	1075381090	/nfs/dbraw/zinc/38/10/90/1075381090.db2.gz	OPNKHDYKJVTALJ-HOCLYGCPSA-N	1	1	405.520	1.878	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O	ZINC000466713537	1075381094	/nfs/dbraw/zinc/38/10/94/1075381094.db2.gz	OPNKHDYKJVTALJ-HOCLYGCPSA-N	1	1	405.520	1.878	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804090790	1075386143	/nfs/dbraw/zinc/38/61/43/1075386143.db2.gz	LFSYHKFVMFTMKS-GVDBMIGSSA-N	1	1	410.559	1.739	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804087983	1075387147	/nfs/dbraw/zinc/38/71/47/1075387147.db2.gz	MQYHYNOFSJYSNL-BRWVUGGUSA-N	1	1	410.559	1.787	20	0		HDADMO
COc1ccc(Br)c(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000676134185	1075393265	/nfs/dbraw/zinc/39/32/65/1075393265.db2.gz	KJZXRFVVRWGACU-QGZVFWFLSA-N	1	1	424.339	1.941	20	0		HDADMO
C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[N@H+](C2CCC2)C1	ZINC000429399320	1075407419	/nfs/dbraw/zinc/40/74/19/1075407419.db2.gz	BPGSFKKTHVZHQE-QGZVFWFLSA-N	1	1	404.580	1.839	20	0		HDADMO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000731624250	1075418174	/nfs/dbraw/zinc/41/81/74/1075418174.db2.gz	FHFDYDXWHNTHNS-IBGZPJMESA-N	1	1	415.513	1.860	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000731624250	1075418177	/nfs/dbraw/zinc/41/81/77/1075418177.db2.gz	FHFDYDXWHNTHNS-IBGZPJMESA-N	1	1	415.513	1.860	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)CC1	ZINC000731655435	1075438715	/nfs/dbraw/zinc/43/87/15/1075438715.db2.gz	MAUBPJOETLYUMR-UHFFFAOYSA-N	1	1	416.453	1.953	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1	ZINC000731656097	1075439854	/nfs/dbraw/zinc/43/98/54/1075439854.db2.gz	ZVOMNYWLEROTJU-UHFFFAOYSA-N	1	1	412.490	1.839	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000442052262	1075445842	/nfs/dbraw/zinc/44/58/42/1075445842.db2.gz	GJLXPZVRUOIJAA-MRXNPFEDSA-N	1	1	405.543	1.939	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C	ZINC000442052262	1075445843	/nfs/dbraw/zinc/44/58/43/1075445843.db2.gz	GJLXPZVRUOIJAA-MRXNPFEDSA-N	1	1	405.543	1.939	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000731687448	1075449355	/nfs/dbraw/zinc/44/93/55/1075449355.db2.gz	OYHIXGOIAPMBBH-GOSISDBHSA-N	1	1	402.539	1.582	20	0		HDADMO
CC(C)[C@H](CNC(=O)CCC(=O)N1CCOc2ccccc21)N1CC[NH+](C)CC1	ZINC000731687876	1075451014	/nfs/dbraw/zinc/45/10/14/1075451014.db2.gz	UHQMZOOZKKCHCR-IBGZPJMESA-N	1	1	402.539	1.580	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257100	1075451042	/nfs/dbraw/zinc/45/10/42/1075451042.db2.gz	MMCJUHGVDGAFGL-RDTXWAMCSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257100	1075451052	/nfs/dbraw/zinc/45/10/52/1075451052.db2.gz	MMCJUHGVDGAFGL-RDTXWAMCSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257219	1075452046	/nfs/dbraw/zinc/45/20/46/1075452046.db2.gz	QQUGSLFZFLZUPU-TXPKVOOTSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257219	1075452052	/nfs/dbraw/zinc/45/20/52/1075452052.db2.gz	QQUGSLFZFLZUPU-TXPKVOOTSA-N	1	1	409.552	1.699	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC1CCCC1	ZINC000676257703	1075453380	/nfs/dbraw/zinc/45/33/80/1075453380.db2.gz	HKRZSYCUZPLMLJ-MAUKXSAKSA-N	1	1	409.552	1.665	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC1CCCC1	ZINC000676257703	1075453383	/nfs/dbraw/zinc/45/33/83/1075453383.db2.gz	HKRZSYCUZPLMLJ-MAUKXSAKSA-N	1	1	409.552	1.665	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258982	1075454324	/nfs/dbraw/zinc/45/43/24/1075454324.db2.gz	YOLBCJBLJDMIKQ-JXFKEZNVSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258982	1075454326	/nfs/dbraw/zinc/45/43/26/1075454326.db2.gz	YOLBCJBLJDMIKQ-JXFKEZNVSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259050	1075454839	/nfs/dbraw/zinc/45/48/39/1075454839.db2.gz	QAGKFJUDVCLHQO-JXFKEZNVSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259050	1075454841	/nfs/dbraw/zinc/45/48/41/1075454841.db2.gz	QAGKFJUDVCLHQO-JXFKEZNVSA-N	1	1	417.531	1.961	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H]2C(=O)OCc2ccccc2)C1	ZINC000731669591	1075455516	/nfs/dbraw/zinc/45/55/16/1075455516.db2.gz	SMRGIGWRISQBKM-LEWJYISDSA-N	1	1	417.550	1.667	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676259847	1075456407	/nfs/dbraw/zinc/45/64/07/1075456407.db2.gz	QPFDCDQLZYVKDG-LPHOPBHVSA-N	1	1	411.568	1.485	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676259847	1075456411	/nfs/dbraw/zinc/45/64/11/1075456411.db2.gz	QPFDCDQLZYVKDG-LPHOPBHVSA-N	1	1	411.568	1.485	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCc1ccccc1F	ZINC000731671815	1075456877	/nfs/dbraw/zinc/45/68/77/1075456877.db2.gz	UXISNYCOTZHGBS-OAHLLOKOSA-N	1	1	407.511	1.695	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676259577	1075457086	/nfs/dbraw/zinc/45/70/86/1075457086.db2.gz	XLKSDPWSDUQYKC-RDTXWAMCSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259577	1075457091	/nfs/dbraw/zinc/45/70/91/1075457091.db2.gz	XLKSDPWSDUQYKC-RDTXWAMCSA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676260594	1075458873	/nfs/dbraw/zinc/45/88/73/1075458873.db2.gz	GCULXHBRSBUUTN-OXQOHEQNSA-N	1	1	417.531	1.614	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676260594	1075458876	/nfs/dbraw/zinc/45/88/76/1075458876.db2.gz	GCULXHBRSBUUTN-OXQOHEQNSA-N	1	1	417.531	1.614	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2)s1	ZINC000676260304	1075459275	/nfs/dbraw/zinc/45/92/75/1075459275.db2.gz	SYIOBDQDUKVSPK-HRCADAONSA-N	1	1	415.581	1.293	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2)s1	ZINC000676260304	1075459278	/nfs/dbraw/zinc/45/92/78/1075459278.db2.gz	SYIOBDQDUKVSPK-HRCADAONSA-N	1	1	415.581	1.293	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1C[N@H+](C)CCO1	ZINC000676261789	1075460194	/nfs/dbraw/zinc/46/01/94/1075460194.db2.gz	OXAZFWMLPZWULI-XHDPSFHLSA-N	1	1	412.284	1.010	20	0		HDADMO
C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1C[N@@H+](C)CCO1	ZINC000676261789	1075460198	/nfs/dbraw/zinc/46/01/98/1075460198.db2.gz	OXAZFWMLPZWULI-XHDPSFHLSA-N	1	1	412.284	1.010	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1C	ZINC000676249145	1075465043	/nfs/dbraw/zinc/46/50/43/1075465043.db2.gz	FEXXQRRTKKCOPE-HKUYNNGSSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1C	ZINC000676249145	1075465048	/nfs/dbraw/zinc/46/50/48/1075465048.db2.gz	FEXXQRRTKKCOPE-HKUYNNGSSA-N	1	1	424.567	1.038	20	0		HDADMO
C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248773	1075465460	/nfs/dbraw/zinc/46/54/60/1075465460.db2.gz	HYEHOJJTXUPOKO-DOMZBBRYSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248773	1075465462	/nfs/dbraw/zinc/46/54/62/1075465462.db2.gz	HYEHOJJTXUPOKO-DOMZBBRYSA-N	1	1	413.316	1.796	20	0		HDADMO
Cc1cc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1Br	ZINC000676249239	1075465950	/nfs/dbraw/zinc/46/59/50/1075465950.db2.gz	MTXYXRNWWPNKCW-DOMZBBRYSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1cc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1Br	ZINC000676249239	1075465951	/nfs/dbraw/zinc/46/59/51/1075465951.db2.gz	MTXYXRNWWPNKCW-DOMZBBRYSA-N	1	1	413.316	1.714	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251620	1075469083	/nfs/dbraw/zinc/46/90/83/1075469083.db2.gz	REKOYMYPAFFLOR-YJBOKZPZSA-N	1	1	423.945	1.325	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251620	1075469084	/nfs/dbraw/zinc/46/90/84/1075469084.db2.gz	REKOYMYPAFFLOR-YJBOKZPZSA-N	1	1	423.945	1.325	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251448	1075469658	/nfs/dbraw/zinc/46/96/58/1075469658.db2.gz	MRJKFUOFSSCKGL-OXQOHEQNSA-N	1	1	400.523	1.716	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251448	1075469663	/nfs/dbraw/zinc/46/96/63/1075469663.db2.gz	MRJKFUOFSSCKGL-OXQOHEQNSA-N	1	1	400.523	1.716	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676254000	1075471141	/nfs/dbraw/zinc/47/11/41/1075471141.db2.gz	CJKRGEDXXTYLMV-QAPCUYQASA-N	1	1	410.540	1.702	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676254000	1075471148	/nfs/dbraw/zinc/47/11/48/1075471148.db2.gz	CJKRGEDXXTYLMV-QAPCUYQASA-N	1	1	410.540	1.702	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1=O	ZINC000731689655	1075472714	/nfs/dbraw/zinc/47/27/14/1075472714.db2.gz	OCJYPYWCMZJEFW-FGTMMUONSA-N	1	1	422.570	1.787	20	0		HDADMO
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676277609	1075477623	/nfs/dbraw/zinc/47/76/23/1075477623.db2.gz	AWDRRVVXQAYWRH-QAPCUYQASA-N	1	1	404.511	1.155	20	0		HDADMO
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277609	1075477626	/nfs/dbraw/zinc/47/76/26/1075477626.db2.gz	AWDRRVVXQAYWRH-QAPCUYQASA-N	1	1	404.511	1.155	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278760	1075480952	/nfs/dbraw/zinc/48/09/52/1075480952.db2.gz	JLUIFRZVKFPBTP-KXBFYZLASA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278760	1075480955	/nfs/dbraw/zinc/48/09/55/1075480955.db2.gz	JLUIFRZVKFPBTP-KXBFYZLASA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278497	1075480973	/nfs/dbraw/zinc/48/09/73/1075480973.db2.gz	IVCGQPLLYVVREI-GUYCJALGSA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278497	1075480975	/nfs/dbraw/zinc/48/09/75/1075480975.db2.gz	IVCGQPLLYVVREI-GUYCJALGSA-N	1	1	422.913	1.350	20	0		HDADMO
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676278539	1075481011	/nfs/dbraw/zinc/48/10/11/1075481011.db2.gz	IBGNPNNPYXOWNK-PBHICJAKSA-N	1	1	404.511	1.379	20	0		HDADMO
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676278539	1075481012	/nfs/dbraw/zinc/48/10/12/1075481012.db2.gz	IBGNPNNPYXOWNK-PBHICJAKSA-N	1	1	404.511	1.379	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1C[N@H+](C)CCO1	ZINC000676279574	1075483861	/nfs/dbraw/zinc/48/38/61/1075483861.db2.gz	CYAIBZMPBYTFSK-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279574	1075483866	/nfs/dbraw/zinc/48/38/66/1075483866.db2.gz	CYAIBZMPBYTFSK-ZANVPECISA-N	1	1	404.692	1.876	20	0		HDADMO
CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676279452	1075484595	/nfs/dbraw/zinc/48/45/95/1075484595.db2.gz	NSPSMXAAXYPZJJ-CZUORRHYSA-N	1	1	413.902	1.529	20	0		HDADMO
CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676279452	1075484596	/nfs/dbraw/zinc/48/45/96/1075484596.db2.gz	NSPSMXAAXYPZJJ-CZUORRHYSA-N	1	1	413.902	1.529	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(Br)c1	ZINC000676279441	1075484610	/nfs/dbraw/zinc/48/46/10/1075484610.db2.gz	NPDKSCQSDFXCEF-QMTHXVAHSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(Br)c1	ZINC000676279441	1075484612	/nfs/dbraw/zinc/48/46/12/1075484612.db2.gz	NPDKSCQSDFXCEF-QMTHXVAHSA-N	1	1	400.273	1.232	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280215	1075484941	/nfs/dbraw/zinc/48/49/41/1075484941.db2.gz	IITYTBSGRXWIGV-CXAGYDPISA-N	1	1	413.503	1.837	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280215	1075484949	/nfs/dbraw/zinc/48/49/49/1075484949.db2.gz	IITYTBSGRXWIGV-CXAGYDPISA-N	1	1	413.503	1.837	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676280810	1075485518	/nfs/dbraw/zinc/48/55/18/1075485518.db2.gz	SZVLMQOHGRUTFO-QMTHXVAHSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676280810	1075485521	/nfs/dbraw/zinc/48/55/21/1075485521.db2.gz	SZVLMQOHGRUTFO-QMTHXVAHSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676282757	1075489550	/nfs/dbraw/zinc/48/95/50/1075489550.db2.gz	VFNGNQADPNIIRL-OLMMMNRUSA-N	1	1	404.511	1.074	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282757	1075489553	/nfs/dbraw/zinc/48/95/53/1075489553.db2.gz	VFNGNQADPNIIRL-OLMMMNRUSA-N	1	1	404.511	1.074	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676282756	1075489620	/nfs/dbraw/zinc/48/96/20/1075489620.db2.gz	VFNGNQADPNIIRL-NNFUDEMPSA-N	1	1	404.511	1.074	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282756	1075489622	/nfs/dbraw/zinc/48/96/22/1075489622.db2.gz	VFNGNQADPNIIRL-NNFUDEMPSA-N	1	1	404.511	1.074	20	0		HDADMO
Cc1nc(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nn1-c1ccccc1	ZINC000731742969	1075490855	/nfs/dbraw/zinc/49/08/55/1075490855.db2.gz	OJDUDZWPQDQLTL-SFHVURJKSA-N	1	1	415.494	1.206	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1	ZINC000676307494	1075493245	/nfs/dbraw/zinc/49/32/45/1075493245.db2.gz	ZGMWCUJWGUAJEI-ZNMIVQPWSA-N	1	1	408.465	1.538	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1	ZINC000676307494	1075493242	/nfs/dbraw/zinc/49/32/42/1075493242.db2.gz	ZGMWCUJWGUAJEI-ZNMIVQPWSA-N	1	1	408.465	1.538	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[N@@H+]1CCO	ZINC000429419250	1075493465	/nfs/dbraw/zinc/49/34/65/1075493465.db2.gz	SLTJPYYCHQFQQI-LBPRGKRZSA-N	1	1	424.445	1.058	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[N@H+]1CCO	ZINC000429419250	1075493468	/nfs/dbraw/zinc/49/34/68/1075493468.db2.gz	SLTJPYYCHQFQQI-LBPRGKRZSA-N	1	1	424.445	1.058	20	0		HDADMO
O=C(Cc1ccc(Cl)cc1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676308655	1075493521	/nfs/dbraw/zinc/49/35/21/1075493521.db2.gz	KALSLYGPNSNFFF-UHFFFAOYSA-N	1	1	401.898	1.858	20	0		HDADMO
CC(C)Cc1nnc(NC(=O)CCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)s1	ZINC000676296160	1075498449	/nfs/dbraw/zinc/49/84/49/1075498449.db2.gz	XXSCKDKFELAJRZ-OAHLLOKOSA-N	1	1	409.556	1.779	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000676296991	1075499611	/nfs/dbraw/zinc/49/96/11/1075499611.db2.gz	IPRXDHFTJVKAIZ-ICSRJNTNSA-N	1	1	401.555	1.312	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676303930	1075501755	/nfs/dbraw/zinc/50/17/55/1075501755.db2.gz	HZWSQJHJUHWVID-RDTXWAMCSA-N	1	1	422.507	1.599	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676303930	1075501761	/nfs/dbraw/zinc/50/17/61/1075501761.db2.gz	HZWSQJHJUHWVID-RDTXWAMCSA-N	1	1	422.507	1.599	20	0		HDADMO
CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676304053	1075501821	/nfs/dbraw/zinc/50/18/21/1075501821.db2.gz	JIKMZHQGPPYOKE-LPHOPBHVSA-N	1	1	404.511	1.272	20	0		HDADMO
CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676304053	1075501827	/nfs/dbraw/zinc/50/18/27/1075501827.db2.gz	JIKMZHQGPPYOKE-LPHOPBHVSA-N	1	1	404.511	1.272	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676304003	1075502005	/nfs/dbraw/zinc/50/20/05/1075502005.db2.gz	ITGJBZRODAHVHH-HIFRSBDPSA-N	1	1	406.508	1.681	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676304003	1075502010	/nfs/dbraw/zinc/50/20/10/1075502010.db2.gz	ITGJBZRODAHVHH-HIFRSBDPSA-N	1	1	406.508	1.681	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676306232	1075503418	/nfs/dbraw/zinc/50/34/18/1075503418.db2.gz	KTOHYYJVNQOHIU-CRAIPNDOSA-N	1	1	424.929	1.292	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676306232	1075503423	/nfs/dbraw/zinc/50/34/23/1075503423.db2.gz	KTOHYYJVNQOHIU-CRAIPNDOSA-N	1	1	424.929	1.292	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676306234	1075504018	/nfs/dbraw/zinc/50/40/18/1075504018.db2.gz	KTOHYYJVNQOHIU-QAPCUYQASA-N	1	1	424.929	1.292	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306234	1075504027	/nfs/dbraw/zinc/50/40/27/1075504027.db2.gz	KTOHYYJVNQOHIU-QAPCUYQASA-N	1	1	424.929	1.292	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)cc1)[NH+]1CCOCC1	ZINC000509402260	1075504129	/nfs/dbraw/zinc/50/41/29/1075504129.db2.gz	IORTYVMUVZOEOP-UWJYYQICSA-N	1	1	411.502	1.738	20	0		HDADMO
CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000946905554	1075513921	/nfs/dbraw/zinc/51/39/21/1075513921.db2.gz	MZBQIFAOWVVXIE-HSFUPAIVSA-N	1	1	404.511	1.306	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1	ZINC000731762332	1075515945	/nfs/dbraw/zinc/51/59/45/1075515945.db2.gz	PGBGAWVAVXRJKU-MRXNPFEDSA-N	1	1	416.444	1.591	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(Br)nnn1C	ZINC000711781062	1075516199	/nfs/dbraw/zinc/51/61/99/1075516199.db2.gz	WUMZSSLMUVUYOK-KRWDZBQOSA-N	1	1	408.300	1.287	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000731761993	1075516348	/nfs/dbraw/zinc/51/63/48/1075516348.db2.gz	SSJQWIJWVUSLES-MRXNPFEDSA-N	1	1	411.547	1.238	20	0		HDADMO
Cc1nc(NC(=O)C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)nn1C	ZINC000556154663	1075519870	/nfs/dbraw/zinc/51/98/70/1075519870.db2.gz	DHMWUZVOTUUCRF-UHFFFAOYSA-N	1	1	420.517	2.223	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676332259	1075521998	/nfs/dbraw/zinc/52/19/98/1075521998.db2.gz	KQPCIPHSWCVJOQ-LXZKKBNFSA-N	1	1	411.449	1.728	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332259	1075522002	/nfs/dbraw/zinc/52/20/02/1075522002.db2.gz	KQPCIPHSWCVJOQ-LXZKKBNFSA-N	1	1	411.449	1.728	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000731826878	1075525665	/nfs/dbraw/zinc/52/56/65/1075525665.db2.gz	OFHNJOFRFSBHRB-LPHOPBHVSA-N	1	1	416.522	1.488	20	0		HDADMO
CN(CCNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000804137462	1075529130	/nfs/dbraw/zinc/52/91/30/1075529130.db2.gz	CFVXZWGZRQUPBB-IBGZPJMESA-N	1	1	414.472	1.625	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000676357512	1075531405	/nfs/dbraw/zinc/53/14/05/1075531405.db2.gz	FPIPJNMYWSKRFL-SJORKVTESA-N	1	1	412.490	1.177	20	0		HDADMO
CC(C)[NH+]1CCC(N2CCN(C(=O)NCC(C)(C)N3CCN(C)CC3)CC2)CC1	ZINC000676384039	1075540013	/nfs/dbraw/zinc/54/00/13/1075540013.db2.gz	NSSBPUFYTYNGNM-UHFFFAOYSA-N	1	1	408.635	1.212	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1cc(Cl)ccc1Br	ZINC000676396420	1075542476	/nfs/dbraw/zinc/54/24/76/1075542476.db2.gz	ZIEMZZCGVKKIKA-UHFFFAOYSA-N	1	1	402.720	1.877	20	0		HDADMO
CCCOC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000731838663	1075544074	/nfs/dbraw/zinc/54/40/74/1075544074.db2.gz	KGMCYBCETZORJZ-LJQANCHMSA-N	1	1	417.506	1.905	20	0		HDADMO
CS(=O)(=O)c1ccc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)nc1	ZINC000582863067	1075544555	/nfs/dbraw/zinc/54/45/55/1075544555.db2.gz	PGXNGZGPRSZTJM-UHFFFAOYSA-N	1	1	402.564	2.495	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000731842897	1075548152	/nfs/dbraw/zinc/54/81/52/1075548152.db2.gz	JULWOZBGRFPUOV-WFVLPUPGSA-N	1	1	410.584	1.068	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2CCc3sc(Br)cc3C2)CC1	ZINC000676415851	1075548375	/nfs/dbraw/zinc/54/83/75/1075548375.db2.gz	FEJUCSPAWOWRSI-UHFFFAOYSA-N	1	1	415.357	1.789	20	0		HDADMO
CN(CCNC(=O)NCC[NH+]1Cc2ccccc2C1)S(=O)(=O)c1cccs1	ZINC000676418523	1075549408	/nfs/dbraw/zinc/54/94/08/1075549408.db2.gz	DVOKWGDGNDBIFM-UHFFFAOYSA-N	1	1	408.549	1.684	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC3(CCO)CCOCC3)cc2)CC1	ZINC000676442287	1075550203	/nfs/dbraw/zinc/55/02/03/1075550203.db2.gz	RELZOYMHWIDORL-UHFFFAOYSA-N	1	1	404.511	1.517	20	0		HDADMO
O=C(Cn1cc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1)NC1CCCC1	ZINC000676427381	1075551030	/nfs/dbraw/zinc/55/10/30/1075551030.db2.gz	SIBJRYCAAQNOND-RBUKOAKNSA-N	1	1	403.527	1.315	20	0		HDADMO
Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1	ZINC000676452321	1075557119	/nfs/dbraw/zinc/55/71/19/1075557119.db2.gz	HWZNRQLOEFHNRN-IBGZPJMESA-N	1	1	424.549	1.666	20	0		HDADMO
Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cnn1-c1ccccc1	ZINC000676451800	1075557448	/nfs/dbraw/zinc/55/74/48/1075557448.db2.gz	NFWKRZUJXCREJF-IBGZPJMESA-N	1	1	411.506	1.833	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000731864042	1075558665	/nfs/dbraw/zinc/55/86/65/1075558665.db2.gz	JPVHQVSZOYTLFR-UHFFFAOYSA-N	1	1	411.568	1.836	20	0		HDADMO
CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1	ZINC000731867469	1075559019	/nfs/dbraw/zinc/55/90/19/1075559019.db2.gz	UZJHOCLUANJLIS-QGZVFWFLSA-N	1	1	408.568	1.164	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000731872629	1075559893	/nfs/dbraw/zinc/55/98/93/1075559893.db2.gz	CQNDABBHGFHFKO-AWEZNQCLSA-N	1	1	414.959	1.100	20	0		HDADMO
CN(C(=O)NCCC1(O)CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000509416853	1075565879	/nfs/dbraw/zinc/56/58/79/1075565879.db2.gz	NUFNMGWGHHONLH-PMACEKPBSA-N	1	1	410.603	1.897	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1	ZINC000804221763	1075567321	/nfs/dbraw/zinc/56/73/21/1075567321.db2.gz	VGFFGCMZNFVQGS-HZPDHXFCSA-N	1	1	422.545	1.811	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000676497469	1075569403	/nfs/dbraw/zinc/56/94/03/1075569403.db2.gz	BCRFQXGDISLHPT-QUCCMNQESA-N	1	1	420.579	1.894	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000676500801	1075570319	/nfs/dbraw/zinc/57/03/19/1075570319.db2.gz	DZEZTNAGSXIGCF-QKNQBKEWSA-N	1	1	405.587	1.051	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000676500801	1075570322	/nfs/dbraw/zinc/57/03/22/1075570322.db2.gz	DZEZTNAGSXIGCF-QKNQBKEWSA-N	1	1	405.587	1.051	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)Nc1cc(C(C)(C)C)on1	ZINC000442112761	1075571276	/nfs/dbraw/zinc/57/12/76/1075571276.db2.gz	HDLHNLQVJYKJAP-INIZCTEOSA-N	1	1	413.522	2.238	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000731962686	1075576906	/nfs/dbraw/zinc/57/69/06/1075576906.db2.gz	SKKJZQAJOYXGDW-FQEVSTJZSA-N	1	1	400.523	1.939	20	0		HDADMO
CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1OC	ZINC000731971277	1075580023	/nfs/dbraw/zinc/58/00/23/1075580023.db2.gz	PJDILCSNNGJXKY-QUCCMNQESA-N	1	1	403.523	1.976	20	0		HDADMO
CC(C)[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)C(=O)N(C)Cc1nnc2n1CCC2	ZINC000509419700	1075580123	/nfs/dbraw/zinc/58/01/23/1075580123.db2.gz	CVKAGBQZZMRAKR-JXFKEZNVSA-N	1	1	404.559	1.588	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1	ZINC000676543544	1075581101	/nfs/dbraw/zinc/58/11/01/1075581101.db2.gz	STACTBWOUQJMPE-GOSISDBHSA-N	1	1	417.535	1.276	20	0		HDADMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000509421684	1075582457	/nfs/dbraw/zinc/58/24/57/1075582457.db2.gz	ZXLBQRZGODORCW-OALUTQOASA-N	1	1	400.567	1.751	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000731979041	1075582598	/nfs/dbraw/zinc/58/25/98/1075582598.db2.gz	ZZYLPYKZOSSZCT-VMPITWQZSA-N	1	1	421.501	1.410	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(-n2ccnc2)cc1	ZINC000731981385	1075583036	/nfs/dbraw/zinc/58/30/36/1075583036.db2.gz	KNBXOKPZZNQACP-HXUWFJFHSA-N	1	1	411.506	1.202	20	0		HDADMO
COc1c(C)cnc(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C	ZINC000731982011	1075583224	/nfs/dbraw/zinc/58/32/24/1075583224.db2.gz	OMOGJYUDMRQASY-SFHVURJKSA-N	1	1	404.511	1.037	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccnn3CCc3ccccc3)CC2)C1	ZINC000676550751	1075583484	/nfs/dbraw/zinc/58/34/84/1075583484.db2.gz	ZWCOOCKOZLCYSI-FQEVSTJZSA-N	1	1	424.549	1.303	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@@H+]1CCc2sccc2C1	ZINC000676545510	1075592062	/nfs/dbraw/zinc/59/20/62/1075592062.db2.gz	LGUUDMRBWWXFAQ-OAHLLOKOSA-N	1	1	424.530	1.889	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@H+]1CCc2sccc2C1	ZINC000676545510	1075592066	/nfs/dbraw/zinc/59/20/66/1075592066.db2.gz	LGUUDMRBWWXFAQ-OAHLLOKOSA-N	1	1	424.530	1.889	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1nc2ccccc2s1	ZINC000804171212	1075602235	/nfs/dbraw/zinc/60/22/35/1075602235.db2.gz	FAWFUUGHMVGBOK-UONOGXRCSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1nc2ccccc2s1	ZINC000804171212	1075602237	/nfs/dbraw/zinc/60/22/37/1075602237.db2.gz	FAWFUUGHMVGBOK-UONOGXRCSA-N	1	1	404.536	1.777	20	0		HDADMO
COC1(CNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)CCOCC1	ZINC000676564623	1075602552	/nfs/dbraw/zinc/60/25/52/1075602552.db2.gz	BZFAIAZBCFTYBU-FQEVSTJZSA-N	1	1	404.555	1.860	20	0		HDADMO
COC1(CNC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCOCC1	ZINC000676564623	1075602555	/nfs/dbraw/zinc/60/25/55/1075602555.db2.gz	BZFAIAZBCFTYBU-FQEVSTJZSA-N	1	1	404.555	1.860	20	0		HDADMO
COC1(CNC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCOCC1	ZINC000676564623	1075602558	/nfs/dbraw/zinc/60/25/58/1075602558.db2.gz	BZFAIAZBCFTYBU-FQEVSTJZSA-N	1	1	404.555	1.860	20	0		HDADMO
CC(C)(CO)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000676606290	1075611164	/nfs/dbraw/zinc/61/11/64/1075611164.db2.gz	KCALCCYBODTKLB-RTWAWAEBSA-N	1	1	418.582	1.494	20	0		HDADMO
O=C(Nc1ccc2c(cnn2C(F)F)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000676617736	1075617841	/nfs/dbraw/zinc/61/78/41/1075617841.db2.gz	BIERQTPTMHVWDA-ZDUSSCGKSA-N	1	1	407.421	1.551	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1	ZINC000676620365	1075619188	/nfs/dbraw/zinc/61/91/88/1075619188.db2.gz	XIOGEIIERGJIRE-UHFFFAOYSA-N	1	1	422.436	1.039	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CCOCC1	ZINC000676623151	1075622139	/nfs/dbraw/zinc/62/21/39/1075622139.db2.gz	STVRUJAAYLIRJZ-IAGOWNOFSA-N	1	1	419.522	1.546	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)/C=C/c1ccc(I)o1	ZINC000732114094	1075628269	/nfs/dbraw/zinc/62/82/69/1075628269.db2.gz	FUOHKRQXRFNELF-FNORWQNLSA-N	1	1	417.291	1.993	20	0		HDADMO
CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1	ZINC000732126948	1075630360	/nfs/dbraw/zinc/63/03/60/1075630360.db2.gz	AYKQWSPJUVOBKE-QPGLYAHGSA-N	1	1	407.536	1.785	20	0		HDADMO
Cn1c(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2cc(F)ccc21	ZINC000732109202	1075634786	/nfs/dbraw/zinc/63/47/86/1075634786.db2.gz	JCSOTDCGVWRZPG-SFHVURJKSA-N	1	1	417.485	1.042	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)ccc1F	ZINC000732113846	1075635542	/nfs/dbraw/zinc/63/55/42/1075635542.db2.gz	IXZWYTMTPJKOSJ-UHFFFAOYSA-N	1	1	414.547	1.222	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732165447	1075643664	/nfs/dbraw/zinc/64/36/64/1075643664.db2.gz	GNLZNRXYAOLSLL-IDTFUJSHSA-N	1	1	410.518	1.485	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732165450	1075643707	/nfs/dbraw/zinc/64/37/07/1075643707.db2.gz	GNLZNRXYAOLSLL-MELMLQDISA-N	1	1	410.518	1.485	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CCN1CCO	ZINC000429457224	1075645442	/nfs/dbraw/zinc/64/54/42/1075645442.db2.gz	YEZMMSOCOWNVBU-SFHVURJKSA-N	1	1	415.538	1.504	20	0		HDADMO
CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000676680824	1075646788	/nfs/dbraw/zinc/64/67/88/1075646788.db2.gz	HXCXYRPDSMWWFP-JCGIZDLHSA-N	1	1	401.511	1.437	20	0		HDADMO
CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000676680824	1075646790	/nfs/dbraw/zinc/64/67/90/1075646790.db2.gz	HXCXYRPDSMWWFP-JCGIZDLHSA-N	1	1	401.511	1.437	20	0		HDADMO
CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1NC(=O)NC1=O	ZINC000676680825	1075646943	/nfs/dbraw/zinc/64/69/43/1075646943.db2.gz	HXCXYRPDSMWWFP-QGTPRVQTSA-N	1	1	401.511	1.437	20	0		HDADMO
CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1NC(=O)NC1=O	ZINC000676680825	1075646946	/nfs/dbraw/zinc/64/69/46/1075646946.db2.gz	HXCXYRPDSMWWFP-QGTPRVQTSA-N	1	1	401.511	1.437	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1	ZINC000732149244	1075649789	/nfs/dbraw/zinc/64/97/89/1075649789.db2.gz	FGOCKUMHQSFJIX-NFBGKYEXSA-N	1	1	423.546	1.762	20	0		HDADMO
COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000732149534	1075649836	/nfs/dbraw/zinc/64/98/36/1075649836.db2.gz	KUJSTJNGRNCGLO-CQSZACIVSA-N	1	1	416.478	1.525	20	0		HDADMO
COc1ccc(CCN2C(=O)C(=O)N(CN(C)[C@H]3CC[N@H+](C4CC4)C3)C2=O)cc1	ZINC000732189689	1075654506	/nfs/dbraw/zinc/65/45/06/1075654506.db2.gz	TYYPGAKFKRBDAR-KRWDZBQOSA-N	1	1	400.479	1.155	20	0		HDADMO
CN(CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732188505	1075654537	/nfs/dbraw/zinc/65/45/37/1075654537.db2.gz	JWBWDQDNEYVGCZ-VGSWGCGISA-N	1	1	414.506	1.784	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1)C1CC1	ZINC000804221451	1075656559	/nfs/dbraw/zinc/65/65/59/1075656559.db2.gz	NWPXLPXJYPAKJN-UHFFFAOYSA-N	1	1	423.517	1.575	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCOC[C@@H]2C)CC1	ZINC000676711610	1075657354	/nfs/dbraw/zinc/65/73/54/1075657354.db2.gz	SWPCFFIHCKZWRE-SFHVURJKSA-N	1	1	402.539	1.443	20	0		HDADMO
CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000732196808	1075657361	/nfs/dbraw/zinc/65/73/61/1075657361.db2.gz	HISAGKWPELFEAW-UHFFFAOYSA-N	1	1	405.451	1.087	20	0		HDADMO
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676723347	1075659996	/nfs/dbraw/zinc/65/99/96/1075659996.db2.gz	IRQCLTCMQVQOKF-GUDVDZBRSA-N	1	1	414.550	1.434	20	0		HDADMO
CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000676725801	1075661923	/nfs/dbraw/zinc/66/19/23/1075661923.db2.gz	YUZFRPWPPAAJAM-CQSZACIVSA-N	1	1	402.465	1.749	20	0		HDADMO
CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000676725801	1075661925	/nfs/dbraw/zinc/66/19/25/1075661925.db2.gz	YUZFRPWPPAAJAM-CQSZACIVSA-N	1	1	402.465	1.749	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccc(N2CCOCC2)cc1	ZINC000732210541	1075667318	/nfs/dbraw/zinc/66/73/18/1075667318.db2.gz	JEOVFIMFZBBVMP-HXUWFJFHSA-N	1	1	400.523	1.939	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccc(N2CCOCC2)cc1	ZINC000732210541	1075667323	/nfs/dbraw/zinc/66/73/23/1075667323.db2.gz	JEOVFIMFZBBVMP-HXUWFJFHSA-N	1	1	400.523	1.939	20	0		HDADMO
COCc1ncc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c(N)n1	ZINC000487162540	1075667445	/nfs/dbraw/zinc/66/74/45/1075667445.db2.gz	YJIQDHJSJFCZMZ-UHFFFAOYSA-N	1	1	418.929	1.801	20	0		HDADMO
CN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1	ZINC000443519204	1075667917	/nfs/dbraw/zinc/66/79/17/1075667917.db2.gz	FCLHSUDVWZIQGV-FUHWJXTLSA-N	1	1	417.558	1.245	20	0		HDADMO
CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732214770	1075669918	/nfs/dbraw/zinc/66/99/18/1075669918.db2.gz	WGXRHCWEDPIZOT-QGZVFWFLSA-N	1	1	419.551	1.264	20	0		HDADMO
CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732214769	1075669934	/nfs/dbraw/zinc/66/99/34/1075669934.db2.gz	WGXRHCWEDPIZOT-KRWDZBQOSA-N	1	1	419.551	1.264	20	0		HDADMO
C[C@@H](CCNC(=O)N1CCN(c2nc(N)ns2)CC1)[N@@H+](C)Cc1ccccc1	ZINC000494418221	1075670532	/nfs/dbraw/zinc/67/05/32/1075670532.db2.gz	NSXRVDWXDWDNPG-HNNXBMFYSA-N	1	1	403.556	1.863	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)C2(Oc3ccccc3F)CC2)C1	ZINC000442740488	1075670621	/nfs/dbraw/zinc/67/06/21/1075670621.db2.gz	LSXBZCOKSWLSCB-AWEZNQCLSA-N	1	1	401.442	1.548	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)C2(Oc3ccccc3F)CC2)C1	ZINC000442740488	1075670626	/nfs/dbraw/zinc/67/06/26/1075670626.db2.gz	LSXBZCOKSWLSCB-AWEZNQCLSA-N	1	1	401.442	1.548	20	0		HDADMO
C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000429462313	1075675010	/nfs/dbraw/zinc/67/50/10/1075675010.db2.gz	AUYAFAIKMNFMDF-IBGZPJMESA-N	1	1	415.582	1.406	20	0		HDADMO
CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1	ZINC000732226221	1075683420	/nfs/dbraw/zinc/68/34/20/1075683420.db2.gz	CYXGXFJWEFLLQE-MRXNPFEDSA-N	1	1	416.565	1.357	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(CN(C)CC(C)(C)C[NH+]2CCOCC2)n1	ZINC000443643111	1075683539	/nfs/dbraw/zinc/68/35/39/1075683539.db2.gz	UPCSMVQRCMLAMJ-UHFFFAOYSA-N	1	1	413.570	1.972	20	0		HDADMO
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCC[N@@H+]1CCC[C@H]1CO	ZINC000732229681	1075684295	/nfs/dbraw/zinc/68/42/95/1075684295.db2.gz	YEVVOGUJUZJBLQ-HOTGVXAUSA-N	1	1	418.991	1.531	20	0		HDADMO
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCC[N@H+]1CCC[C@H]1CO	ZINC000732229681	1075684298	/nfs/dbraw/zinc/68/42/98/1075684298.db2.gz	YEVVOGUJUZJBLQ-HOTGVXAUSA-N	1	1	418.991	1.531	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1	ZINC000732232270	1075685208	/nfs/dbraw/zinc/68/52/08/1075685208.db2.gz	HSVRSFJTVRFFRX-BFYDXBDKSA-N	1	1	411.572	1.985	20	0		HDADMO
CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000141616126	1075686234	/nfs/dbraw/zinc/68/62/34/1075686234.db2.gz	YLTNDUZLDMRGBA-KRWDZBQOSA-N	1	1	418.538	1.580	20	0		HDADMO
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)C3)CC2)c1	ZINC000028903874	1075689186	/nfs/dbraw/zinc/68/91/86/1075689186.db2.gz	LDUADIWQZLUOQR-MRXNPFEDSA-N	1	1	407.536	1.454	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000804216236	1075690263	/nfs/dbraw/zinc/69/02/63/1075690263.db2.gz	DJIHMQQATFCPTE-DLBZAZTESA-N	1	1	412.575	1.938	20	0		HDADMO
C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1=O	ZINC000429464832	1075691081	/nfs/dbraw/zinc/69/10/81/1075691081.db2.gz	DUVPSCHKQSOFIZ-HOJAQTOUSA-N	1	1	415.538	1.325	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1	ZINC000732286260	1075698506	/nfs/dbraw/zinc/69/85/06/1075698506.db2.gz	DEDBPRGRPSZDON-UHFFFAOYSA-N	1	1	402.586	1.797	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3nnc4ccccc4c3O)c2)C1	ZINC000732289442	1075700414	/nfs/dbraw/zinc/70/04/14/1075700414.db2.gz	GPFKLJUVQPPOMI-KRWDZBQOSA-N	1	1	419.485	1.963	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)CC1	ZINC000732292368	1075700996	/nfs/dbraw/zinc/70/09/96/1075700996.db2.gz	MMFUAISRJFVPAP-UHFFFAOYSA-N	1	1	419.551	1.813	20	0		HDADMO
COc1cc2[nH+]c(NCc3ccc(N(C)S(C)(=O)=O)cc3)nc(N)c2cc1OC	ZINC000599953183	1075702567	/nfs/dbraw/zinc/70/25/67/1075702567.db2.gz	OIJJCVNRTNLQSU-UHFFFAOYSA-N	1	1	417.491	1.659	20	0		HDADMO
COc1cc2[nH+]c(NCc3ccc4c(c3)CCS4(=O)=O)nc(N)c2cc1OC	ZINC000531559650	1075702680	/nfs/dbraw/zinc/70/26/80/1075702680.db2.gz	WVWYWNXIRNXFTN-UHFFFAOYSA-N	1	1	400.460	1.593	20	0		HDADMO
COc1cc2[nH+]c(NCc3cnc(N4CCOCC4)c(F)c3)nc(N)c2cc1OC	ZINC000462691460	1075702933	/nfs/dbraw/zinc/70/29/33/1075702933.db2.gz	LCTZLIKQWHYNTA-UHFFFAOYSA-N	1	1	414.441	1.634	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C[N@H+]1C1CC1	ZINC000486216733	1075703664	/nfs/dbraw/zinc/70/36/64/1075703664.db2.gz	BZTGPDKSILGTJG-HZPDHXFCSA-N	1	1	409.538	1.664	20	0		HDADMO
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4cc[nH+]c(N(C)C)n4)CC3)n2)cc1	ZINC000532733814	1075704297	/nfs/dbraw/zinc/70/42/97/1075704297.db2.gz	LGRCJPTVNAIIEM-UHFFFAOYSA-N	1	1	420.525	1.684	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1	ZINC000549186891	1075704364	/nfs/dbraw/zinc/70/43/64/1075704364.db2.gz	YGYXDURDVMBVTO-SFHVURJKSA-N	1	1	412.538	2.394	20	0		HDADMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O	ZINC000429466369	1075704722	/nfs/dbraw/zinc/70/47/22/1075704722.db2.gz	YPSGSUIFCZIRPQ-KFWWJZLASA-N	1	1	406.449	1.292	20	0		HDADMO
COc1cc2[nH+]c(N3CCCN(S(=O)(=O)C4CC4)CC3)nc(N)c2cc1OC	ZINC000549258433	1075705370	/nfs/dbraw/zinc/70/53/70/1075705370.db2.gz	FZMFAEOKDXFFAU-UHFFFAOYSA-N	1	1	407.496	1.234	20	0		HDADMO
C[C@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000732339648	1075709900	/nfs/dbraw/zinc/70/99/00/1075709900.db2.gz	QSDLLHDPUVHMTN-WMLDXEAASA-N	1	1	421.453	1.506	20	0		HDADMO
C[C@@](O)(CNC(=O)NCc1ccncc1OCc1ccccc1)C[NH+]1CCOCC1	ZINC000509253527	1075710320	/nfs/dbraw/zinc/71/03/20/1075710320.db2.gz	FYJYYDHKBKLHKT-JOCHJYFZSA-N	1	1	414.506	1.543	20	0		HDADMO
CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509440640	1075711710	/nfs/dbraw/zinc/71/17/10/1075711710.db2.gz	SNCLPLMCLHWEDM-GUDVDZBRSA-N	1	1	402.539	1.339	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCNc1ccc2ccccc2n1	ZINC000521060434	1075714131	/nfs/dbraw/zinc/71/41/31/1075714131.db2.gz	PGYSWBITCWXZAR-IBGZPJMESA-N	1	1	412.538	1.889	20	0		HDADMO
CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC([N@@H+](C)CCCO)CC2)c1	ZINC000509439003	1075714733	/nfs/dbraw/zinc/71/47/33/1075714733.db2.gz	UADJVJAHNQECAY-UHFFFAOYSA-N	1	1	414.524	1.339	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@H]1CCO	ZINC000509438654	1075716060	/nfs/dbraw/zinc/71/60/60/1075716060.db2.gz	NAWKMCXGLYGTLH-QUCCMNQESA-N	1	1	402.539	1.077	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC000497637617	1075721736	/nfs/dbraw/zinc/72/17/36/1075721736.db2.gz	UQVYWRWBVHUEGU-OKILXGFUSA-N	1	1	402.499	1.866	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000550834576	1075723091	/nfs/dbraw/zinc/72/30/91/1075723091.db2.gz	BRLUHUKJGBJEFM-TZMCWYRMSA-N	1	1	401.433	1.618	20	0		HDADMO
COCC1(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC1	ZINC000509442084	1075727687	/nfs/dbraw/zinc/72/76/87/1075727687.db2.gz	MQACBNDKQIRYON-SFHVURJKSA-N	1	1	402.539	1.246	20	0		HDADMO
C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000509442904	1075734337	/nfs/dbraw/zinc/73/43/37/1075734337.db2.gz	VHPVKIQHQCBIJG-WOJBJXKFSA-N	1	1	415.582	1.114	20	0		HDADMO
COc1cccc(CN(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000509442864	1075735746	/nfs/dbraw/zinc/73/57/46/1075735746.db2.gz	UYHBJYHLVRAKPE-LJQANCHMSA-N	1	1	424.545	1.981	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@]1(C)CCCO	ZINC000509442836	1075735851	/nfs/dbraw/zinc/73/58/51/1075735851.db2.gz	UQURVGKTEMZUEI-WMZHIEFXSA-N	1	1	416.566	1.467	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCOC(C)(C)[C@@H]1C	ZINC000509442588	1075737147	/nfs/dbraw/zinc/73/71/47/1075737147.db2.gz	QXFOITBSGOOEGV-ROUUACIJSA-N	1	1	402.539	1.339	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509443209	1075739162	/nfs/dbraw/zinc/73/91/62/1075739162.db2.gz	YFLXZNZVZZYUGD-AZUAARDMSA-N	1	1	402.539	1.341	20	0		HDADMO
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCNc2ccc(C)c[nH+]2)c1	ZINC000605444846	1075748409	/nfs/dbraw/zinc/74/84/09/1075748409.db2.gz	SBRKNYQMRICDDG-UHFFFAOYSA-N	1	1	418.519	1.879	20	0		HDADMO
Cc1ccc(N2CCC(NC(=O)N3CCN(c4nc(N)ns4)CC3)CC2)[nH+]c1	ZINC000494543625	1075753117	/nfs/dbraw/zinc/75/31/17/1075753117.db2.gz	BRHVRYDRNPYPEM-UHFFFAOYSA-N	1	1	402.528	1.324	20	0		HDADMO
CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000732465996	1075753542	/nfs/dbraw/zinc/75/35/42/1075753542.db2.gz	PBUWFUADNUUERO-DAYGRLMNSA-N	1	1	406.914	1.950	20	0		HDADMO
CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000429268795	1075754266	/nfs/dbraw/zinc/75/42/66/1075754266.db2.gz	DGALUMBTNOXCFS-SFTDATJTSA-N	1	1	411.502	1.963	20	0		HDADMO
CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000429268795	1075754270	/nfs/dbraw/zinc/75/42/70/1075754270.db2.gz	DGALUMBTNOXCFS-SFTDATJTSA-N	1	1	411.502	1.963	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1	ZINC000429476824	1075755034	/nfs/dbraw/zinc/75/50/34/1075755034.db2.gz	OWLWPVDCSUYEJU-SFHVURJKSA-N	1	1	421.586	1.362	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000732474981	1075756703	/nfs/dbraw/zinc/75/67/03/1075756703.db2.gz	NYFWCGVWSVCPBG-HOCLYGCPSA-N	1	1	408.852	1.635	20	0		HDADMO
C[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[N@@H+](C)Cc1ccccc1	ZINC000520340388	1075758029	/nfs/dbraw/zinc/75/80/29/1075758029.db2.gz	DQIKSMKZMUJVIU-GOSISDBHSA-N	1	1	417.579	1.950	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C)C1CC1	ZINC000804224464	1075776269	/nfs/dbraw/zinc/77/62/69/1075776269.db2.gz	QCTHCIKDQJHXOS-WBVHZDCISA-N	1	1	410.559	1.739	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)C1CC1	ZINC000804225035	1075776904	/nfs/dbraw/zinc/77/69/04/1075776904.db2.gz	RYVVRKWZWQMNNA-OAHLLOKOSA-N	1	1	402.495	1.763	20	0		HDADMO
CC(C)(C)c1nnc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)s1	ZINC000464121801	1075778010	/nfs/dbraw/zinc/77/80/10/1075778010.db2.gz	KXGLHKTZPQLXET-CQSZACIVSA-N	1	1	403.508	1.979	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1	ZINC000732572321	1075782358	/nfs/dbraw/zinc/78/23/58/1075782358.db2.gz	TXAYAUREJVAOIL-KRWDZBQOSA-N	1	1	419.489	1.753	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cn1	ZINC000732571620	1075782575	/nfs/dbraw/zinc/78/25/75/1075782575.db2.gz	FZTFDUJJASZCEM-KRWDZBQOSA-N	1	1	419.489	1.753	20	0		HDADMO
CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1	ZINC000732559219	1075785292	/nfs/dbraw/zinc/78/52/92/1075785292.db2.gz	IYDUGUKZCDGNGI-SFHVURJKSA-N	1	1	424.567	1.109	20	0		HDADMO
CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000732559219	1075785293	/nfs/dbraw/zinc/78/52/93/1075785293.db2.gz	IYDUGUKZCDGNGI-SFHVURJKSA-N	1	1	424.567	1.109	20	0		HDADMO
CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000732559369	1075785299	/nfs/dbraw/zinc/78/52/99/1075785299.db2.gz	MCRGWSCYYLKQNQ-KRWDZBQOSA-N	1	1	424.567	1.305	20	0		HDADMO
CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559369	1075785300	/nfs/dbraw/zinc/78/53/00/1075785300.db2.gz	MCRGWSCYYLKQNQ-KRWDZBQOSA-N	1	1	424.567	1.305	20	0		HDADMO
CC(=O)[C@@H]1CC(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1	ZINC000732563645	1075789936	/nfs/dbraw/zinc/78/99/36/1075789936.db2.gz	LYPHQMCVZQHUFI-UNMCSNQZSA-N	1	1	411.550	1.837	20	0		HDADMO
CC(=O)[C@@H]1CC(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1	ZINC000732563645	1075789940	/nfs/dbraw/zinc/78/99/40/1075789940.db2.gz	LYPHQMCVZQHUFI-UNMCSNQZSA-N	1	1	411.550	1.837	20	0		HDADMO
CC(=O)N1CCC(NC(=O)CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1	ZINC000732569026	1075790222	/nfs/dbraw/zinc/79/02/22/1075790222.db2.gz	UNZLSBOJBAQHEW-ZDUSSCGKSA-N	1	1	413.519	1.115	20	0		HDADMO
CN1CCN(S(=O)(=O)c2ccc(NC[C@H]3CCC[N@H+]3C3CCCCC3)nc2)CC1	ZINC000435591543	1075792655	/nfs/dbraw/zinc/79/26/55/1075792655.db2.gz	CRGYOZBPMZNCGO-LJQANCHMSA-N	1	1	421.611	2.227	20	0		HDADMO
CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(OCC(=O)NC)c3)c2C1	ZINC000509274439	1075793704	/nfs/dbraw/zinc/79/37/04/1075793704.db2.gz	NUBNBIRLZUQTKU-UHFFFAOYSA-N	1	1	424.501	1.792	20	0		HDADMO
CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(OCC(=O)NC)c3)c2C1	ZINC000509274439	1075793709	/nfs/dbraw/zinc/79/37/09/1075793709.db2.gz	NUBNBIRLZUQTKU-UHFFFAOYSA-N	1	1	424.501	1.792	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1cccs1	ZINC000487391172	1075795829	/nfs/dbraw/zinc/79/58/29/1075795829.db2.gz	WWJZPENXWQSIEW-PKOBYXMFSA-N	1	1	410.584	1.467	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1cccs1	ZINC000487391170	1075795975	/nfs/dbraw/zinc/79/59/75/1075795975.db2.gz	WWJZPENXWQSIEW-IEBWSBKVSA-N	1	1	410.584	1.467	20	0		HDADMO
Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000030372506	1075802370	/nfs/dbraw/zinc/80/23/70/1075802370.db2.gz	XBBCXRCBJCHNDG-UHFFFAOYSA-N	1	1	423.560	1.539	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000030372506	1075802378	/nfs/dbraw/zinc/80/23/78/1075802378.db2.gz	XBBCXRCBJCHNDG-UHFFFAOYSA-N	1	1	423.560	1.539	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccccc3F)s2)CC1	ZINC000521260445	1075802674	/nfs/dbraw/zinc/80/26/74/1075802674.db2.gz	CYSVUFMDXPBEBN-UHFFFAOYSA-N	1	1	406.487	1.600	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC[N@H+]1CC(C)(C)O	ZINC000444815351	1075807825	/nfs/dbraw/zinc/80/78/25/1075807825.db2.gz	FJXBRKCEQRRLPZ-ZDUSSCGKSA-N	1	1	407.515	2.577	20	0		HDADMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H](C)O1	ZINC000531575426	1075808059	/nfs/dbraw/zinc/80/80/59/1075808059.db2.gz	NKBFFFYIEYQILP-IRXDYDNUSA-N	1	1	413.522	1.874	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1	ZINC000462947450	1075810036	/nfs/dbraw/zinc/81/00/36/1075810036.db2.gz	ULCQKKDCAXARQN-QFBILLFUSA-N	1	1	410.522	2.359	20	0		HDADMO
CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000611024751	1075812981	/nfs/dbraw/zinc/81/29/81/1075812981.db2.gz	XPNPWIAZWDLLOX-HNNXBMFYSA-N	1	1	406.508	1.872	20	0		HDADMO
CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000611024751	1075812985	/nfs/dbraw/zinc/81/29/85/1075812985.db2.gz	XPNPWIAZWDLLOX-HNNXBMFYSA-N	1	1	406.508	1.872	20	0		HDADMO
CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000438777130	1075813186	/nfs/dbraw/zinc/81/31/86/1075813186.db2.gz	VAJHLSNVNZNBNW-KSZLIROESA-N	1	1	405.543	1.968	20	0		HDADMO
CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000438777130	1075813191	/nfs/dbraw/zinc/81/31/91/1075813191.db2.gz	VAJHLSNVNZNBNW-KSZLIROESA-N	1	1	405.543	1.968	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@H+]1Cc1ccccc1	ZINC000446817353	1075814752	/nfs/dbraw/zinc/81/47/52/1075814752.db2.gz	KRIDZHNWUZVZJX-GOEBONIOSA-N	1	1	423.439	2.553	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(c4cc(F)ccc4F)=NO3)CC2)CC1	ZINC000732654939	1075817354	/nfs/dbraw/zinc/81/73/54/1075817354.db2.gz	HEDVSRFIRSFPMF-IBGZPJMESA-N	1	1	420.460	1.470	20	0		HDADMO
O=C(CS[C@@H]1CCS(=O)(=O)C1)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000732661137	1075819631	/nfs/dbraw/zinc/81/96/31/1075819631.db2.gz	PUZLXBZRZLRSAI-OAHLLOKOSA-N	1	1	406.639	1.775	20	0		HDADMO
O=C(N[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@@H]1n1ccnn1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001129276885	1075819729	/nfs/dbraw/zinc/81/97/29/1075819729.db2.gz	YEYOFHIZKUZCFA-SUJAAXHWSA-N	1	1	401.433	1.920	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000732673566	1075828321	/nfs/dbraw/zinc/82/83/21/1075828321.db2.gz	NTJWMYCRSNUVEF-KBPBESRZSA-N	1	1	412.478	1.474	20	0		HDADMO
CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N[C@H]2CCC[C@@H]2C(=O)NC)c2ccncc2[nH+]1	ZINC000553450539	1075829857	/nfs/dbraw/zinc/82/98/57/1075829857.db2.gz	FPRVMTMKHXPCIB-YVSFHVDLSA-N	1	1	410.522	2.283	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732676214	1075830110	/nfs/dbraw/zinc/83/01/10/1075830110.db2.gz	SAAGZCSCTLUKBY-CQSZACIVSA-N	1	1	414.494	1.722	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000429291850	1075830826	/nfs/dbraw/zinc/83/08/26/1075830826.db2.gz	GXAIPINOTUSXEU-IRXDYDNUSA-N	1	1	404.511	1.279	20	0		HDADMO
CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N3CC[N@H+](CC)[C@H](C)C3)ccc21	ZINC000611100858	1075833300	/nfs/dbraw/zinc/83/33/00/1075833300.db2.gz	SHTSUJOBPAURMC-OAHLLOKOSA-N	1	1	400.479	1.696	20	0		HDADMO
CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N3CC[N@@H+](CC)[C@H](C)C3)ccc21	ZINC000611100858	1075833304	/nfs/dbraw/zinc/83/33/04/1075833304.db2.gz	SHTSUJOBPAURMC-OAHLLOKOSA-N	1	1	400.479	1.696	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000732702067	1075836115	/nfs/dbraw/zinc/83/61/15/1075836115.db2.gz	XTFPOQANAMLSNE-ZDUSSCGKSA-N	1	1	414.494	1.579	20	0		HDADMO
CC(C)Cc1ncnc(NC[C@H]2C[N@@H+](C)CCN2C)c1I	ZINC000557573632	1075837668	/nfs/dbraw/zinc/83/76/68/1075837668.db2.gz	GYDMZBUSUZYAQF-LBPRGKRZSA-N	1	1	403.312	1.937	20	0		HDADMO
CCOC(=O)Cn1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1=O	ZINC000611097568	1075841597	/nfs/dbraw/zinc/84/15/97/1075841597.db2.gz	IFYNEHREZGUEDP-MRXNPFEDSA-N	1	1	406.483	1.130	20	0		HDADMO
CCOC(=O)Cn1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1=O	ZINC000611097631	1075841713	/nfs/dbraw/zinc/84/17/13/1075841713.db2.gz	QIHDPVBBKHMHSE-YJBOKZPZSA-N	1	1	402.495	1.892	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(C4CC4)nn3)c2)C1	ZINC000448146281	1075841974	/nfs/dbraw/zinc/84/19/74/1075841974.db2.gz	GZDGYRLKCZJXJJ-SFHVURJKSA-N	1	1	408.506	2.373	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Nc3nc4ccccn4n3)c2)C1	ZINC000544769662	1075842069	/nfs/dbraw/zinc/84/20/69/1075842069.db2.gz	NUICYYUKVXPBQC-KRWDZBQOSA-N	1	1	407.478	1.748	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ccnc(N4CCOCC4)n3)c2)C1	ZINC000544677069	1075842305	/nfs/dbraw/zinc/84/23/05/1075842305.db2.gz	VEGOOSUMKYFGCZ-IBGZPJMESA-N	1	1	410.522	1.623	20	0		HDADMO
C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)c3ccnc4c3nnn4C)CC2)C[C@H](C)O1	ZINC000509290578	1075848808	/nfs/dbraw/zinc/84/88/08/1075848808.db2.gz	WJJDFBDHSNZIEE-GASCZTMLSA-N	1	1	402.499	1.094	20	0		HDADMO
C[C@@H]1C[N@H+](CCOC2CCN(C(=O)c3ccnc4c3nnn4C)CC2)C[C@H](C)O1	ZINC000509290578	1075848813	/nfs/dbraw/zinc/84/88/13/1075848813.db2.gz	WJJDFBDHSNZIEE-GASCZTMLSA-N	1	1	402.499	1.094	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1	ZINC000732771092	1075851625	/nfs/dbraw/zinc/85/16/25/1075851625.db2.gz	BEOGQLPCGKFSIF-UHFFFAOYSA-N	1	1	416.975	1.984	20	0		HDADMO
C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2I)C1	ZINC000611148060	1075856614	/nfs/dbraw/zinc/85/66/14/1075856614.db2.gz	FXXBNAQLJRHQOT-SECBINFHSA-N	1	1	405.211	1.579	20	0		HDADMO
COCC1CC[NH+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1	ZINC000732799061	1075861299	/nfs/dbraw/zinc/86/12/99/1075861299.db2.gz	OQTLBFQNKUZZIM-OAQYLSRUSA-N	1	1	416.478	1.726	20	0		HDADMO
CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1	ZINC000553319081	1075870928	/nfs/dbraw/zinc/87/09/28/1075870928.db2.gz	QURUEWBHJBXJSK-SUMDDJOVSA-N	1	1	423.583	2.461	20	0		HDADMO
CCOC(=O)C(C)(C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000611193310	1075873572	/nfs/dbraw/zinc/87/35/72/1075873572.db2.gz	NPRHUFQZMGKYON-UHFFFAOYSA-N	1	1	404.511	1.425	20	0		HDADMO
CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732834140	1075882340	/nfs/dbraw/zinc/88/23/40/1075882340.db2.gz	NHPHMAVCUWLEGW-DLBZAZTESA-N	1	1	413.440	1.806	20	0		HDADMO
COC(=O)[C@@]1(NCCN2C(=O)NC(C)(C)C2=O)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611266080	1075889022	/nfs/dbraw/zinc/88/90/22/1075889022.db2.gz	XKCZMAQWWZLOHV-OAQYLSRUSA-N	1	1	402.495	1.114	20	0		HDADMO
CN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732883242	1075890877	/nfs/dbraw/zinc/89/08/77/1075890877.db2.gz	PBSJYXWXFYELDJ-HNNXBMFYSA-N	1	1	420.476	1.826	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1	ZINC000611320879	1075900205	/nfs/dbraw/zinc/90/02/05/1075900205.db2.gz	XAOIFCKKNGQEKE-SFHVURJKSA-N	1	1	407.555	1.759	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611322110	1075900465	/nfs/dbraw/zinc/90/04/65/1075900465.db2.gz	LHLCKUIAXIRPMQ-CQSZACIVSA-N	1	1	411.524	1.574	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl	ZINC000611365692	1075914162	/nfs/dbraw/zinc/91/41/62/1075914162.db2.gz	WHRUZCPAXMWYOH-CVEARBPZSA-N	1	1	409.870	1.123	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1	ZINC000611373468	1075916068	/nfs/dbraw/zinc/91/60/68/1075916068.db2.gz	LUUTUIYPDPHRBY-GOEBONIOSA-N	1	1	410.465	1.822	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1	ZINC000611373468	1075916071	/nfs/dbraw/zinc/91/60/71/1075916071.db2.gz	LUUTUIYPDPHRBY-GOEBONIOSA-N	1	1	410.465	1.822	20	0		HDADMO
C[S@](=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1F	ZINC000611359267	1075917337	/nfs/dbraw/zinc/91/73/37/1075917337.db2.gz	VXAURFNTJJUTPV-JMGYQRAPSA-N	1	1	411.499	1.215	20	0		HDADMO
CCn1c(N)c(C(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C(=O)OC)c(=O)[nH]c1=O	ZINC000611406383	1075924217	/nfs/dbraw/zinc/92/42/17/1075924217.db2.gz	PQHMHOJUIUUZQJ-OAHLLOKOSA-N	1	1	402.451	1.264	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)[C@@H](C)C1	ZINC000611401308	1075925369	/nfs/dbraw/zinc/92/53/69/1075925369.db2.gz	ZGCPUNRJRYRAJY-PXNSSMCTSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)[C@@H](C)C1	ZINC000611401308	1075925371	/nfs/dbraw/zinc/92/53/71/1075925371.db2.gz	ZGCPUNRJRYRAJY-PXNSSMCTSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)[C@H](C)C1	ZINC000611401309	1075925448	/nfs/dbraw/zinc/92/54/48/1075925448.db2.gz	ZGCPUNRJRYRAJY-XLIONFOSSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)[C@H](C)C1	ZINC000611401309	1075925451	/nfs/dbraw/zinc/92/54/51/1075925451.db2.gz	ZGCPUNRJRYRAJY-XLIONFOSSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)[C@H](C)C1	ZINC000611401538	1075925762	/nfs/dbraw/zinc/92/57/62/1075925762.db2.gz	XGPRSJNXIOQVBN-DYESRHJHSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)[C@H](C)C1	ZINC000611401538	1075925763	/nfs/dbraw/zinc/92/57/63/1075925763.db2.gz	XGPRSJNXIOQVBN-DYESRHJHSA-N	1	1	403.523	1.466	20	0		HDADMO
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000611403781	1075926102	/nfs/dbraw/zinc/92/61/02/1075926102.db2.gz	GNPXFWMAZKRTQL-INIZCTEOSA-N	1	1	410.536	1.860	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(=O)c2cc(Br)ccc2[nH]1	ZINC000732957239	1075931501	/nfs/dbraw/zinc/93/15/01/1075931501.db2.gz	QLOQVXAMPLARAM-CHWSQXEVSA-N	1	1	406.280	1.884	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1	ZINC000732960483	1075932222	/nfs/dbraw/zinc/93/22/22/1075932222.db2.gz	LPQSEFQRWDTRQV-HKWRFOASSA-N	1	1	424.501	1.719	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1	ZINC000732963315	1075932463	/nfs/dbraw/zinc/93/24/63/1075932463.db2.gz	JPPICLAXQSHKER-UHFFFAOYSA-N	1	1	406.508	1.457	20	0		HDADMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1	ZINC000732981633	1075936099	/nfs/dbraw/zinc/93/60/99/1075936099.db2.gz	UHBBCTUTZNAIGI-MSOLQXFVSA-N	1	1	400.523	1.981	20	0		HDADMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1	ZINC000732981633	1075936101	/nfs/dbraw/zinc/93/61/01/1075936101.db2.gz	UHBBCTUTZNAIGI-MSOLQXFVSA-N	1	1	400.523	1.981	20	0		HDADMO
C[C@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000733028390	1075945894	/nfs/dbraw/zinc/94/58/94/1075945894.db2.gz	UDBNCJNTYXBQDB-YJBOKZPZSA-N	1	1	408.520	1.134	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)C[C@H]1C	ZINC000611484496	1075946586	/nfs/dbraw/zinc/94/65/86/1075946586.db2.gz	NRELRRHHPVRBSS-DYESRHJHSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)C[C@H]1C	ZINC000611484496	1075946590	/nfs/dbraw/zinc/94/65/90/1075946590.db2.gz	NRELRRHHPVRBSS-DYESRHJHSA-N	1	1	403.523	1.466	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1	ZINC000733030303	1075947008	/nfs/dbraw/zinc/94/70/08/1075947008.db2.gz	SGRPCKCYWQYHQE-MRXNPFEDSA-N	1	1	410.559	1.598	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC3(CC2)OCCc2ccsc23)CC1	ZINC000490063091	1075949249	/nfs/dbraw/zinc/94/92/49/1075949249.db2.gz	WPKUZPCUMSSNJH-UHFFFAOYSA-N	1	1	406.552	1.532	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1N1C(=O)CCC1=O	ZINC000733047746	1075953474	/nfs/dbraw/zinc/95/34/74/1075953474.db2.gz	HQFZOLQDROGRII-MRXNPFEDSA-N	1	1	412.446	1.599	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733048839	1075954480	/nfs/dbraw/zinc/95/44/80/1075954480.db2.gz	PQLQEBYNUIQPJR-GOEBONIOSA-N	1	1	414.506	1.824	20	0		HDADMO
COc1ccccc1COC[C@H](O)C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000105166557	1075969443	/nfs/dbraw/zinc/96/94/43/1075969443.db2.gz	FGYLGOIMQMQGCT-OAQYLSRUSA-N	1	1	419.566	1.593	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)c1nnn(Cc2cc(C)on2)c1C)[NH+]1CCOCC1	ZINC000505326691	1075971367	/nfs/dbraw/zinc/97/13/67/1075971367.db2.gz	PCLLYMGKMDMYMQ-GOSISDBHSA-N	1	1	404.515	1.798	20	0		HDADMO
Cc1[nH+]ccn1CCNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1	ZINC000733142442	1075974355	/nfs/dbraw/zinc/97/43/55/1075974355.db2.gz	GCVOQIAQXRELEK-UHFFFAOYSA-N	1	1	415.313	1.634	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CCOC2=O)CC1=O	ZINC000733143185	1075975043	/nfs/dbraw/zinc/97/50/43/1075975043.db2.gz	BUBNKZRYYSXZKT-CVEARBPZSA-N	1	1	400.479	1.915	20	0		HDADMO
CN(C)c1cc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)n1	ZINC000733145003	1075975832	/nfs/dbraw/zinc/97/58/32/1075975832.db2.gz	NDGUZZRFDQRBFQ-UHFFFAOYSA-N	1	1	415.925	1.875	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CC1=O	ZINC000733123425	1075978259	/nfs/dbraw/zinc/97/82/59/1075978259.db2.gz	LCNOSZAYXMNXDK-XLIONFOSSA-N	1	1	400.523	1.795	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1=O	ZINC000733125004	1075978572	/nfs/dbraw/zinc/97/85/72/1075978572.db2.gz	BOJFYEVLXUCHAX-UKRRQHHQSA-N	1	1	408.449	1.352	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)Nc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)c2C)no1	ZINC000507524500	1075978728	/nfs/dbraw/zinc/97/87/28/1075978728.db2.gz	CRFTYNLIJJRYLC-GOSISDBHSA-N	1	1	423.477	1.633	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)Nc3cccc(C[N@H+]4CCC[C@@H]4C(N)=O)c3)c2C)no1	ZINC000507524500	1075978736	/nfs/dbraw/zinc/97/87/36/1075978736.db2.gz	CRFTYNLIJJRYLC-GOSISDBHSA-N	1	1	423.477	1.633	20	0		HDADMO
OCC[N@@H+](CCN1CCOCC1)Cc1cc(Br)c2c(c1)OCCCO2	ZINC000510191324	1075989942	/nfs/dbraw/zinc/98/99/42/1075989942.db2.gz	IQRQNWXEGPVHKM-UHFFFAOYSA-N	1	1	415.328	1.737	20	0		HDADMO
O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000733160564	1075993992	/nfs/dbraw/zinc/99/39/92/1075993992.db2.gz	QGEIGYCDQRZWHR-MRXNPFEDSA-N	1	1	400.928	1.873	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1	ZINC000733171542	1076001508	/nfs/dbraw/zinc/00/15/08/1076001508.db2.gz	YKJJGNCYKKLIMO-GUYCJALGSA-N	1	1	422.517	1.981	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1	ZINC000733196354	1076002783	/nfs/dbraw/zinc/00/27/83/1076002783.db2.gz	CCORUBFRTCHQBJ-FNTDYBJHSA-N	1	1	418.519	1.593	20	0		HDADMO
Cc1c(C(=O)NCCS(=O)(=O)C(C)(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000733179882	1076009613	/nfs/dbraw/zinc/00/96/13/1076009613.db2.gz	VFBLJTOQOSYXQH-UHFFFAOYSA-N	1	1	419.551	1.507	20	0		HDADMO
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1	ZINC000733188492	1076013116	/nfs/dbraw/zinc/01/31/16/1076013116.db2.gz	GNYMYZMZGNVTTD-MRXNPFEDSA-N	1	1	418.542	1.934	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)C2)no1	ZINC000514018782	1076015714	/nfs/dbraw/zinc/01/57/14/1076015714.db2.gz	XBKYVERKZOOUGC-USXIJHARSA-N	1	1	406.531	1.493	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)no1	ZINC000514019448	1076015959	/nfs/dbraw/zinc/01/59/59/1076015959.db2.gz	DTFRRXNACDSEKL-WBVHZDCISA-N	1	1	404.515	1.249	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)no1	ZINC000514025273	1076016265	/nfs/dbraw/zinc/01/62/65/1076016265.db2.gz	UYVFWTYSCBHPDV-JLJPHGGASA-N	1	1	404.515	1.390	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)no1	ZINC000514025272	1076016380	/nfs/dbraw/zinc/01/63/80/1076016380.db2.gz	UYVFWTYSCBHPDV-FRFSOERESA-N	1	1	404.515	1.390	20	0		HDADMO
COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)c1	ZINC001081973943	1076021638	/nfs/dbraw/zinc/02/16/38/1076021638.db2.gz	ZEVZMKNOVYKGCM-WRTQPQOASA-N	1	1	404.507	1.200	20	0		HDADMO
COCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)c1	ZINC001081973943	1076021646	/nfs/dbraw/zinc/02/16/46/1076021646.db2.gz	ZEVZMKNOVYKGCM-WRTQPQOASA-N	1	1	404.507	1.200	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001082155827	1076023921	/nfs/dbraw/zinc/02/39/21/1076023921.db2.gz	XGKBDAQQYGLTJV-PVYRDQNTSA-N	1	1	401.463	1.014	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc3oc(=O)n(C)c3c2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001082155827	1076023923	/nfs/dbraw/zinc/02/39/23/1076023923.db2.gz	XGKBDAQQYGLTJV-PVYRDQNTSA-N	1	1	401.463	1.014	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C3CCC3)CC2)c1	ZINC000733276656	1076028203	/nfs/dbraw/zinc/02/82/03/1076028203.db2.gz	VCEXJIUPNALUBU-UHFFFAOYSA-N	1	1	415.943	1.575	20	0		HDADMO
CCOC(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1	ZINC000727036394	1076030911	/nfs/dbraw/zinc/03/09/11/1076030911.db2.gz	OFWLBNIBPGCERK-UHFFFAOYSA-N	1	1	414.466	1.594	20	0		HDADMO
CCC[N@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)CC1CC1	ZINC000052890979	1076034859	/nfs/dbraw/zinc/03/48/59/1076034859.db2.gz	NNNBFWPCOSXWSG-HXUWFJFHSA-N	1	1	401.507	1.619	20	0		HDADMO
COCC[N@H+](CCC(=O)OC)CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000733309818	1076035292	/nfs/dbraw/zinc/03/52/92/1076035292.db2.gz	ODRFPSQDQMEEPO-UHFFFAOYSA-N	1	1	411.543	1.139	20	0		HDADMO
COCC[N@@H+](CCC(=O)OC)CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000733309818	1076035300	/nfs/dbraw/zinc/03/53/00/1076035300.db2.gz	ODRFPSQDQMEEPO-UHFFFAOYSA-N	1	1	411.543	1.139	20	0		HDADMO
CCN(CC)CCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1	ZINC000727071820	1076038291	/nfs/dbraw/zinc/03/82/91/1076038291.db2.gz	GVGDPEAMPVCHRJ-INIZCTEOSA-N	1	1	406.662	1.280	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000727088300	1076041535	/nfs/dbraw/zinc/04/15/35/1076041535.db2.gz	DYZOEXJQILMZEA-OAHLLOKOSA-N	1	1	414.597	1.724	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)c2)CCO1	ZINC000733342641	1076047173	/nfs/dbraw/zinc/04/71/73/1076047173.db2.gz	GLRUPAHEQYFVBI-INIZCTEOSA-N	1	1	411.568	1.920	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)c2)CCO1	ZINC000733342641	1076047180	/nfs/dbraw/zinc/04/71/80/1076047180.db2.gz	GLRUPAHEQYFVBI-INIZCTEOSA-N	1	1	411.568	1.920	20	0		HDADMO
Cn1cnc2c1c(=O)n(CCC[N@@H+](C)Cc1cnn(-c3ccccc3)c1)c(=O)n2C	ZINC000053139385	1076054712	/nfs/dbraw/zinc/05/47/12/1076054712.db2.gz	KTDYFFFUXXRDRT-UHFFFAOYSA-N	1	1	407.478	1.142	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)c2cccs2)CC1	ZINC000053273468	1076055678	/nfs/dbraw/zinc/05/56/78/1076055678.db2.gz	ZTTAVBXVZSOZFX-MRXNPFEDSA-N	1	1	400.504	1.798	20	0		HDADMO
Cc1cc(CN2CCN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)on1	ZINC000053526519	1076058495	/nfs/dbraw/zinc/05/84/95/1076058495.db2.gz	WNSPOZKSUDMFON-UHFFFAOYSA-N	1	1	405.543	1.845	20	0		HDADMO
COCCn1nc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ccc1=O	ZINC000054122543	1076060993	/nfs/dbraw/zinc/06/09/93/1076060993.db2.gz	KQMNKIYMFHGDPC-UHFFFAOYSA-N	1	1	404.898	1.891	20	0		HDADMO
COCCn1nc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc1=O	ZINC000054122543	1076060999	/nfs/dbraw/zinc/06/09/99/1076060999.db2.gz	KQMNKIYMFHGDPC-UHFFFAOYSA-N	1	1	404.898	1.891	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O	ZINC000727169609	1076068416	/nfs/dbraw/zinc/06/84/16/1076068416.db2.gz	LHJBWULMNPGNDD-UHFFFAOYSA-N	1	1	422.287	1.029	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000727175294	1076070123	/nfs/dbraw/zinc/07/01/23/1076070123.db2.gz	RNTONNIHNQLYFD-CQSZACIVSA-N	1	1	417.959	1.821	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000727228971	1076085178	/nfs/dbraw/zinc/08/51/78/1076085178.db2.gz	LDHZFRDZWGXNQF-HNNXBMFYSA-N	1	1	407.540	1.193	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)CC1	ZINC000727241123	1076088416	/nfs/dbraw/zinc/08/84/16/1076088416.db2.gz	YCXMESJOJYCTJP-UHFFFAOYSA-N	1	1	414.510	1.646	20	0		HDADMO
CN(CCCNC(=S)NNC(=S)NCCC[NH+]1CCOCC1)c1ccccc1	ZINC000727289877	1076092938	/nfs/dbraw/zinc/09/29/38/1076092938.db2.gz	LBKLDWNLOSTMTE-UHFFFAOYSA-N	1	1	424.640	1.078	20	0		HDADMO
Cc1nn(CC(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1Cl	ZINC000733518269	1076093364	/nfs/dbraw/zinc/09/33/64/1076093364.db2.gz	GPJVBFQAMQIDMM-HNNXBMFYSA-N	1	1	400.907	1.170	20	0		HDADMO
O=C(COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1	ZINC000733530357	1076095302	/nfs/dbraw/zinc/09/53/02/1076095302.db2.gz	IAWBARWXCCHBDS-SFHVURJKSA-N	1	1	400.397	1.843	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)COc2ccc(C=O)cc2)CC1	ZINC000727371910	1076099846	/nfs/dbraw/zinc/09/98/46/1076099846.db2.gz	NVTYPFIQZSRERC-UHFFFAOYSA-N	1	1	405.495	1.937	20	0		HDADMO
CO[C@@H](CNC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)C(F)(F)F	ZINC000733663074	1076144047	/nfs/dbraw/zinc/14/40/47/1076144047.db2.gz	SMJMNLBHHLPHCL-INIZCTEOSA-N	1	1	404.433	1.893	20	0		HDADMO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1	ZINC000733669503	1076149575	/nfs/dbraw/zinc/14/95/75/1076149575.db2.gz	KCTKDIHEMZRZNE-GOSISDBHSA-N	1	1	401.555	1.758	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1	ZINC000733669503	1076149580	/nfs/dbraw/zinc/14/95/80/1076149580.db2.gz	KCTKDIHEMZRZNE-GOSISDBHSA-N	1	1	401.555	1.758	20	0		HDADMO
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CC[NH+](C2CCC2)CC1	ZINC000733670094	1076152017	/nfs/dbraw/zinc/15/20/17/1076152017.db2.gz	UGFHLLCFVUKNPK-UHFFFAOYSA-N	1	1	401.435	1.318	20	0		HDADMO
CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1	ZINC000727608266	1076178621	/nfs/dbraw/zinc/17/86/21/1076178621.db2.gz	GKVXLPZZOJYOTB-UHFFFAOYSA-N	1	1	420.514	1.121	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1	ZINC000733780565	1076203896	/nfs/dbraw/zinc/20/38/96/1076203896.db2.gz	VTOYHANUBXZBCV-DLBZAZTESA-N	1	1	406.552	1.597	20	0		HDADMO
CCOC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1	ZINC000733796297	1076216073	/nfs/dbraw/zinc/21/60/73/1076216073.db2.gz	BWJQAYWZVIUIPO-BTYIYWSLSA-N	1	1	418.494	1.242	20	0		HDADMO
CCOC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1	ZINC000733796297	1076216078	/nfs/dbraw/zinc/21/60/78/1076216078.db2.gz	BWJQAYWZVIUIPO-BTYIYWSLSA-N	1	1	418.494	1.242	20	0		HDADMO
CCOC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1	ZINC000733797372	1076216533	/nfs/dbraw/zinc/21/65/33/1076216533.db2.gz	UWSZPUPYAFTGFL-AVRDEDQJSA-N	1	1	416.522	1.709	20	0		HDADMO
CCOC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1	ZINC000733797372	1076216537	/nfs/dbraw/zinc/21/65/37/1076216537.db2.gz	UWSZPUPYAFTGFL-AVRDEDQJSA-N	1	1	416.522	1.709	20	0		HDADMO
C[C@H](CNC(=O)Cc1csc(-c2nc[nH]n2)n1)[NH+]1CCN(c2ccccc2)CC1	ZINC000727766534	1076219025	/nfs/dbraw/zinc/21/90/25/1076219025.db2.gz	BOPAKDRKTMEQCQ-OAHLLOKOSA-N	1	1	411.535	1.798	20	0		HDADMO
COc1ccc(OC)c([C@H](O)CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1	ZINC000727766735	1076220743	/nfs/dbraw/zinc/22/07/43/1076220743.db2.gz	FRIPUTZVZDRNOC-IFMALSPDSA-N	1	1	413.518	1.842	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000733882372	1076238120	/nfs/dbraw/zinc/23/81/20/1076238120.db2.gz	IVPDWXQLQXZNIU-UHFFFAOYSA-N	1	1	403.495	1.830	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)C2)no1	ZINC000532835155	1076239998	/nfs/dbraw/zinc/23/99/98/1076239998.db2.gz	JQKYEPCVYWAHEP-ROUUACIJSA-N	1	1	420.558	1.885	20	0		HDADMO
COc1cc(NS(C)(=O)=O)ccc1NC(=O)NCCCCN1CC[NH+](C)CC1	ZINC000533181724	1076242670	/nfs/dbraw/zinc/24/26/70/1076242670.db2.gz	JMNSRSBCOOPTNH-UHFFFAOYSA-N	1	1	413.544	1.216	20	0		HDADMO
C[NH+](C)CCn1ccc(=NC(=O)C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)[nH]1	ZINC000533456692	1076243437	/nfs/dbraw/zinc/24/34/37/1076243437.db2.gz	VZEPLRAXQNBAHW-GOSISDBHSA-N	1	1	417.485	1.152	20	0		HDADMO
CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000533846955	1076245867	/nfs/dbraw/zinc/24/58/67/1076245867.db2.gz	CRZOAIBKIDRQJG-HXUWFJFHSA-N	1	1	401.555	1.759	20	0		HDADMO
CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000533846955	1076245875	/nfs/dbraw/zinc/24/58/75/1076245875.db2.gz	CRZOAIBKIDRQJG-HXUWFJFHSA-N	1	1	401.555	1.759	20	0		HDADMO
CCN(CC)S(=O)(=O)c1c(C)nn(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000535120781	1076250019	/nfs/dbraw/zinc/25/00/19/1076250019.db2.gz	LYQMSKBOUOXOQG-VBQJREDUSA-N	1	1	402.561	1.001	20	0		HDADMO
CCN(CC)S(=O)(=O)c1c(C)nn(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000535120781	1076250021	/nfs/dbraw/zinc/25/00/21/1076250021.db2.gz	LYQMSKBOUOXOQG-VBQJREDUSA-N	1	1	402.561	1.001	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000535263529	1076250404	/nfs/dbraw/zinc/25/04/04/1076250404.db2.gz	ABFAIEXIQDZOSK-VQIMIIECSA-N	1	1	420.521	1.827	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000535263529	1076250409	/nfs/dbraw/zinc/25/04/09/1076250409.db2.gz	ABFAIEXIQDZOSK-VQIMIIECSA-N	1	1	420.521	1.827	20	0		HDADMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000536035891	1076254721	/nfs/dbraw/zinc/25/47/21/1076254721.db2.gz	NXRIZWASAOCLDU-IFXJQAMLSA-N	1	1	403.504	1.665	20	0		HDADMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000536035891	1076254726	/nfs/dbraw/zinc/25/47/26/1076254726.db2.gz	NXRIZWASAOCLDU-IFXJQAMLSA-N	1	1	403.504	1.665	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536047497	1076254749	/nfs/dbraw/zinc/25/47/49/1076254749.db2.gz	JAESDXDWXCNZFB-LAUBAEHRSA-N	1	1	413.566	1.948	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536047497	1076254754	/nfs/dbraw/zinc/25/47/54/1076254754.db2.gz	JAESDXDWXCNZFB-LAUBAEHRSA-N	1	1	413.566	1.948	20	0		HDADMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CN3C(=O)NC4(CCOCC4)C3=O)C2)n1	ZINC000727819407	1076267258	/nfs/dbraw/zinc/26/72/58/1076267258.db2.gz	VRNAGKYVVMKEBW-OAHLLOKOSA-N	1	1	401.467	1.099	20	0		HDADMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CN3C(=O)NC4(CCOCC4)C3=O)C2)n1	ZINC000727819407	1076267261	/nfs/dbraw/zinc/26/72/61/1076267261.db2.gz	VRNAGKYVVMKEBW-OAHLLOKOSA-N	1	1	401.467	1.099	20	0		HDADMO
CCc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1	ZINC001083151629	1076317116	/nfs/dbraw/zinc/31/71/16/1076317116.db2.gz	JKRHOPHPVHJFAC-RTOMLYRKSA-N	1	1	400.519	1.712	20	0		HDADMO
CCc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1	ZINC001083151629	1076317120	/nfs/dbraw/zinc/31/71/20/1076317120.db2.gz	JKRHOPHPVHJFAC-RTOMLYRKSA-N	1	1	400.519	1.712	20	0		HDADMO
Cc1ccccc1[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000728042580	1076317793	/nfs/dbraw/zinc/31/77/93/1076317793.db2.gz	MJXMQNMUQILCQM-HTAPYJJXSA-N	1	1	414.506	1.290	20	0		HDADMO
Cc1ccccc1[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000728042580	1076317797	/nfs/dbraw/zinc/31/77/97/1076317797.db2.gz	MJXMQNMUQILCQM-HTAPYJJXSA-N	1	1	414.506	1.290	20	0		HDADMO
COc1ccccc1C[NH+]1CCN(Cn2nc(C)n(CC(=O)N(C)C)c2=S)CC1	ZINC000728048451	1076319112	/nfs/dbraw/zinc/31/91/12/1076319112.db2.gz	TUQXKLGMHMLNMM-UHFFFAOYSA-N	1	1	418.567	1.595	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000728052649	1076320158	/nfs/dbraw/zinc/32/01/58/1076320158.db2.gz	ABZKGSPDQBVQOW-LJQANCHMSA-N	1	1	407.555	1.713	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000728055376	1076322510	/nfs/dbraw/zinc/32/25/10/1076322510.db2.gz	RNDIBMKKVKFINA-OAHLLOKOSA-N	1	1	422.551	1.891	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000728140703	1076341625	/nfs/dbraw/zinc/34/16/25/1076341625.db2.gz	DPFUYBJCLKZWND-HZPDHXFCSA-N	1	1	406.502	1.837	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccccc1F)N1CC[NH+](CCc2ccccc2)CC1	ZINC000024621571	1076345862	/nfs/dbraw/zinc/34/58/62/1076345862.db2.gz	YNWDMGRIHVTZIU-UHFFFAOYSA-N	1	1	419.522	1.881	20	0		HDADMO
CC[C@@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[N@H+]1CCc2ccccc2C1	ZINC000728151760	1076347986	/nfs/dbraw/zinc/34/79/86/1076347986.db2.gz	DTEJOEKANPANOE-PXNSSMCTSA-N	1	1	414.531	1.670	20	0		HDADMO
CC[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[N@H+]1CCc2ccccc2C1	ZINC000728151759	1076348119	/nfs/dbraw/zinc/34/81/19/1076348119.db2.gz	DTEJOEKANPANOE-FXAWDEMLSA-N	1	1	414.531	1.670	20	0		HDADMO
CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000728173559	1076364383	/nfs/dbraw/zinc/36/43/83/1076364383.db2.gz	WNWOGBTYWXSYLF-LJQANCHMSA-N	1	1	424.567	1.256	20	0		HDADMO
CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000728173556	1076364483	/nfs/dbraw/zinc/36/44/83/1076364483.db2.gz	WNWOGBTYWXSYLF-IBGZPJMESA-N	1	1	424.567	1.256	20	0		HDADMO
CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729979535	1076404209	/nfs/dbraw/zinc/40/42/09/1076404209.db2.gz	FRUIEVWJRQRTSJ-UHFFFAOYSA-N	1	1	416.353	1.632	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)C1	ZINC000729980041	1076405166	/nfs/dbraw/zinc/40/51/66/1076405166.db2.gz	KMPDMXFZNIMRNY-OAHLLOKOSA-N	1	1	415.531	1.695	20	0		HDADMO
CN(C(=O)/C=C\c1cccc(F)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729981150	1076406178	/nfs/dbraw/zinc/40/61/78/1076406178.db2.gz	XJXMYRNGHWHVNL-SREVYHEPSA-N	1	1	402.514	1.536	20	0		HDADMO
COc1ccc(Cl)cc1CC(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000730032176	1076413100	/nfs/dbraw/zinc/41/31/00/1076413100.db2.gz	MUDJWVAPOQFDQA-QGZVFWFLSA-N	1	1	412.914	1.907	20	0		HDADMO
CNC(=O)C1(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CCC1	ZINC000730044924	1076419512	/nfs/dbraw/zinc/41/95/12/1076419512.db2.gz	FPKDLBPDLVEUCK-UHFFFAOYSA-N	1	1	401.507	1.489	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1	ZINC000730083582	1076431443	/nfs/dbraw/zinc/43/14/43/1076431443.db2.gz	PYFGUNPJRQYJQN-SJORKVTESA-N	1	1	415.943	1.262	20	0		HDADMO
O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1	ZINC000730125436	1076465419	/nfs/dbraw/zinc/46/54/19/1076465419.db2.gz	HUFJXEYXFUSHGL-MOPGFXCFSA-N	1	1	401.511	1.845	20	0		HDADMO
CCCNC(=O)[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)C1	ZINC000730252953	1076498615	/nfs/dbraw/zinc/49/86/15/1076498615.db2.gz	OCCYYRBMTSQPJE-VGOFRKELSA-N	1	1	416.522	1.744	20	0		HDADMO
CCCNC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)C1	ZINC000730252953	1076498618	/nfs/dbraw/zinc/49/86/18/1076498618.db2.gz	OCCYYRBMTSQPJE-VGOFRKELSA-N	1	1	416.522	1.744	20	0		HDADMO
CCOC(=O)C1C(C[NH+]2CCC(CCO)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000730261238	1076502031	/nfs/dbraw/zinc/50/20/31/1076502031.db2.gz	WNHJBPXOFGMXEN-HXUWFJFHSA-N	1	1	417.506	1.961	20	0		HDADMO
CCOC(=O)C1=C(C[NH+]2CCC(CCO)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000730261238	1076502036	/nfs/dbraw/zinc/50/20/36/1076502036.db2.gz	WNHJBPXOFGMXEN-HXUWFJFHSA-N	1	1	417.506	1.961	20	0		HDADMO
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(CCO)CC2)C1=O	ZINC000730261326	1076503390	/nfs/dbraw/zinc/50/33/90/1076503390.db2.gz	YHCHJXYXBASTFF-OAQYLSRUSA-N	1	1	402.495	1.055	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000730263441	1076505295	/nfs/dbraw/zinc/50/52/95/1076505295.db2.gz	UDWSVLABYISFSM-AWEZNQCLSA-N	1	1	412.512	1.262	20	0		HDADMO
CCOc1cccc(N2CC[NH+](CCCN3C(=O)CS/C3=C/C(=O)OC)CC2)n1	ZINC000730264477	1076505947	/nfs/dbraw/zinc/50/59/47/1076505947.db2.gz	DUWCCWLXQQYBAU-XMHGGMMESA-N	1	1	420.535	1.582	20	0		HDADMO
C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2CC(=O)N(c3cnn(C)c3)C2=O)CC1	ZINC000730270612	1076516095	/nfs/dbraw/zinc/51/60/95/1076516095.db2.gz	FAEMKYSNGQVXOF-CZUORRHYSA-N	1	1	405.499	1.677	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000730277666	1076519877	/nfs/dbraw/zinc/51/98/77/1076519877.db2.gz	UZJCIYYLMHWCIW-INIZCTEOSA-N	1	1	401.511	1.134	20	0		HDADMO
CCC[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000730279205	1076520367	/nfs/dbraw/zinc/52/03/67/1076520367.db2.gz	LECCBMRDSJUSHM-KRWDZBQOSA-N	1	1	410.559	1.646	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1	ZINC000730309837	1076525113	/nfs/dbraw/zinc/52/51/13/1076525113.db2.gz	XDWZDTRCPWUBLR-IBGZPJMESA-N	1	1	419.547	1.494	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000730309432	1076525515	/nfs/dbraw/zinc/52/55/15/1076525515.db2.gz	HUJLQLGXXLAMFZ-IBGZPJMESA-N	1	1	419.547	1.494	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1	ZINC000730311774	1076526462	/nfs/dbraw/zinc/52/64/62/1076526462.db2.gz	NLTYEKBJOCXGLY-GOSISDBHSA-N	1	1	419.547	1.494	20	0		HDADMO
CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1	ZINC000730313958	1076528642	/nfs/dbraw/zinc/52/86/42/1076528642.db2.gz	YHVMWTFCPDGHHU-AEFFLSMTSA-N	1	1	419.547	1.747	20	0		HDADMO
C[NH+]1CCN(c2ccc(NC(=O)C(=O)N(CCO)CC(C)(C)C)cc2Cl)CC1	ZINC000730393201	1076559604	/nfs/dbraw/zinc/55/96/04/1076559604.db2.gz	KJOLHLMGMJYWEN-UHFFFAOYSA-N	1	1	410.946	1.897	20	0		HDADMO
COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)Nc1ccc(-n3cc[nH+]c3C)nc1)C2	ZINC000730388488	1076569566	/nfs/dbraw/zinc/56/95/66/1076569566.db2.gz	WKGBWVZIENHBMK-UHFFFAOYSA-N	1	1	405.414	1.843	20	0		HDADMO
CN(C(=O)OC(C)(C)C)C1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1	ZINC000730467631	1076580693	/nfs/dbraw/zinc/58/06/93/1076580693.db2.gz	HNCZVTZPIQSRSF-UHFFFAOYSA-N	1	1	400.589	1.915	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=S)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000730467585	1076580751	/nfs/dbraw/zinc/58/07/51/1076580751.db2.gz	GDOPNWBFHSERMR-LJQANCHMSA-N	1	1	418.607	1.977	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CC2)CC1	ZINC000730528046	1076589839	/nfs/dbraw/zinc/58/98/39/1076589839.db2.gz	PYHUTKLGUAEGGK-GOSISDBHSA-N	1	1	422.570	1.789	20	0		HDADMO
Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2=O)c1	ZINC000730774132	1076650537	/nfs/dbraw/zinc/65/05/37/1076650537.db2.gz	VBAGBIMTXILYSV-KZNAEPCWSA-N	1	1	400.479	1.179	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@H]2C)C1	ZINC000730789595	1076658798	/nfs/dbraw/zinc/65/87/98/1076658798.db2.gz	PWOHHIQFBHRNHR-QLFBSQMISA-N	1	1	405.495	1.749	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1	ZINC000730935317	1076695932	/nfs/dbraw/zinc/69/59/32/1076695932.db2.gz	CJQCMGNCHFTRRK-GOEBONIOSA-N	1	1	421.519	1.082	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=S)NCCc3cccnc3)c2)C1	ZINC000730949869	1076700412	/nfs/dbraw/zinc/70/04/12/1076700412.db2.gz	HLSUOUWYIFYWPC-HXUWFJFHSA-N	1	1	411.575	1.986	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cc4c([nH]c3=O)CCC4)c2)C1	ZINC000730970598	1076701694	/nfs/dbraw/zinc/70/16/94/1076701694.db2.gz	JHJGGWLQCLDTJF-SFHVURJKSA-N	1	1	408.502	1.903	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F	ZINC000731007467	1076708873	/nfs/dbraw/zinc/70/88/73/1076708873.db2.gz	QNZBSIQXHYMWGY-ZDUSSCGKSA-N	1	1	417.478	1.246	20	0		HDADMO
CC(C)(C)OC(=O)NCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000731008934	1076710505	/nfs/dbraw/zinc/71/05/05/1076710505.db2.gz	XOFUHPFOKZTACB-KRWDZBQOSA-N	1	1	404.511	1.525	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCc3nc(C4CC4)no3)c2)C1	ZINC000731044616	1076717620	/nfs/dbraw/zinc/71/76/20/1076717620.db2.gz	SCEVYODKPOEIAW-KRWDZBQOSA-N	1	1	412.494	1.644	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCc3nc(C4CC4)no3)c2)C1	ZINC000731044618	1076717632	/nfs/dbraw/zinc/71/76/32/1076717632.db2.gz	SCEVYODKPOEIAW-QGZVFWFLSA-N	1	1	412.494	1.644	20	0		HDADMO
O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000731133728	1076736540	/nfs/dbraw/zinc/73/65/40/1076736540.db2.gz	BDOUYRJDQMLNKW-GFCCVEGCSA-N	1	1	424.295	1.759	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2)C[C@@H](C)O1	ZINC000731134617	1076737000	/nfs/dbraw/zinc/73/70/00/1076737000.db2.gz	JYIIXOOEMHTCDV-MDZRGWNJSA-N	1	1	400.523	1.839	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(CCNC(=O)c2ccccc2F)CC1	ZINC000731160009	1076739263	/nfs/dbraw/zinc/73/92/63/1076739263.db2.gz	KJYILISTPNZXCP-KRWDZBQOSA-N	1	1	421.586	1.532	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=S)NCCc3cccnc3)CC2)CC1	ZINC000731161899	1076740032	/nfs/dbraw/zinc/74/00/32/1076740032.db2.gz	DDABZKYBRCLVML-UHFFFAOYSA-N	1	1	403.596	1.765	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Cc3cnn(-c4ccccc4)n3)CC2)CC1	ZINC000731181811	1076745464	/nfs/dbraw/zinc/74/54/64/1076745464.db2.gz	WYVBBKLOHONURJ-UHFFFAOYSA-N	1	1	424.549	1.603	20	0		HDADMO
CC[N@@H+]1CCCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)CC1	ZINC000731216528	1076766188	/nfs/dbraw/zinc/76/61/88/1076766188.db2.gz	JMIIWLQUJXMZNM-UHFFFAOYSA-N	1	1	405.314	1.952	20	0		HDADMO
CC[N@H+]1CCCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)CC1	ZINC000731216528	1076766198	/nfs/dbraw/zinc/76/61/98/1076766198.db2.gz	JMIIWLQUJXMZNM-UHFFFAOYSA-N	1	1	405.314	1.952	20	0		HDADMO
O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000731224302	1076767757	/nfs/dbraw/zinc/76/77/57/1076767757.db2.gz	PPJVRSMIZUOKEQ-GFCCVEGCSA-N	1	1	406.533	1.512	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(C)nc4ccc(F)cc43)CC2)C1=O	ZINC001164636667	719270998	/nfs/dbraw/zinc/27/09/98/719270998.db2.gz	VWOHGWXRDKBOKB-UHFFFAOYSA-N	1	1	401.486	1.837	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)nc4ccc(F)cc43)CC2)C1=O	ZINC001164636667	719270999	/nfs/dbraw/zinc/27/09/99/719270999.db2.gz	VWOHGWXRDKBOKB-UHFFFAOYSA-N	1	1	401.486	1.837	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)nc3cnccc31)C2	ZINC001164814970	720131000	/nfs/dbraw/zinc/13/10/00/720131000.db2.gz	UUOVPSYJCVVPJS-KSFYIVLOSA-N	1	1	411.506	1.996	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN3C(=O)CCC3=O)cn1)C2	ZINC001164812521	720141251	/nfs/dbraw/zinc/14/12/51/720141251.db2.gz	PBNSVUBHEVOSOT-AUSIDOKSSA-N	1	1	412.534	1.915	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1	ZINC001164816860	720167145	/nfs/dbraw/zinc/16/71/45/720167145.db2.gz	NFXQOBQOYVXRHO-YLJYHZDGSA-N	1	1	408.568	1.565	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cncc(SCC(=O)OC)n1)C2	ZINC001164817868	720180750	/nfs/dbraw/zinc/18/07/50/720180750.db2.gz	QPWWGLUMTDCOHO-UZLBHIALSA-N	1	1	406.552	1.926	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1	ZINC001164718528	720224477	/nfs/dbraw/zinc/22/44/77/720224477.db2.gz	MXMWMMSACZNPNE-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1	ZINC001164718528	720224481	/nfs/dbraw/zinc/22/44/81/720224481.db2.gz	MXMWMMSACZNPNE-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CCCC4)C2)C1	ZINC001164717803	720224559	/nfs/dbraw/zinc/22/45/59/720224559.db2.gz	IQTNJZJNVVSUMT-FQEVSTJZSA-N	1	1	407.946	1.674	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CCCC4)C2)C1	ZINC001164717803	720224563	/nfs/dbraw/zinc/22/45/63/720224563.db2.gz	IQTNJZJNVVSUMT-FQEVSTJZSA-N	1	1	407.946	1.674	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3nc[nH]c3c(N(C)C)n1)CCC2	ZINC001164814068	720227573	/nfs/dbraw/zinc/22/75/73/720227573.db2.gz	SALAKVLHABVWTO-UHFFFAOYSA-N	1	1	411.514	1.226	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3c1CNC3=O)CCC2	ZINC001164812125	720228513	/nfs/dbraw/zinc/22/85/13/720228513.db2.gz	DUYUTZYGNJGDAQ-UHFFFAOYSA-N	1	1	416.913	1.786	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(COC4CCC4)cn3)C2)C1	ZINC001164723889	720301860	/nfs/dbraw/zinc/30/18/60/720301860.db2.gz	PRRMSFNZANTEQO-JOCHJYFZSA-N	1	1	402.539	1.816	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(COC4CCC4)cn3)C2)C1	ZINC001164723889	720301867	/nfs/dbraw/zinc/30/18/67/720301867.db2.gz	PRRMSFNZANTEQO-JOCHJYFZSA-N	1	1	402.539	1.816	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(=O)NC4CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164839712	720623651	/nfs/dbraw/zinc/62/36/51/720623651.db2.gz	OCJICTWODFCZQF-IMFGXOCKSA-N	1	1	409.538	1.943	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164736668	720697556	/nfs/dbraw/zinc/69/75/56/720697556.db2.gz	AHNHTPDVGVVWDA-SJORKVTESA-N	1	1	420.473	1.938	20	0		HDADMO
O=C1NCc2c1c(N1CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C1)nc(Cl)c2F	ZINC001164739282	720712206	/nfs/dbraw/zinc/71/22/06/720712206.db2.gz	MTGDFEQYSLWZDF-GHMZBOCLSA-N	1	1	404.833	1.249	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164738910	720743198	/nfs/dbraw/zinc/74/31/98/720743198.db2.gz	GZCWQWRRJJCSPE-GJZGRUSLSA-N	1	1	423.477	1.277	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)[nH]cc1-2	ZINC001164739008	720749045	/nfs/dbraw/zinc/74/90/45/720749045.db2.gz	HKQABBQDSIDCAJ-HUUCEWRRSA-N	1	1	408.462	1.872	20	0		HDADMO
O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1	ZINC001164737176	720771136	/nfs/dbraw/zinc/77/11/36/720771136.db2.gz	AJETZLHWFADKPD-RBUKOAKNSA-N	1	1	404.474	1.424	20	0		HDADMO
COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164751932	720804149	/nfs/dbraw/zinc/80/41/49/720804149.db2.gz	YGUPTZAZVJBMTG-NEPJUHHUSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164751932	720804151	/nfs/dbraw/zinc/80/41/51/720804151.db2.gz	YGUPTZAZVJBMTG-NEPJUHHUSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(Cl)n1	ZINC001164743355	720804834	/nfs/dbraw/zinc/80/48/34/720804834.db2.gz	FPBIFKUZMINAHV-NWDGAFQWSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(Cl)n1	ZINC001164743355	720804836	/nfs/dbraw/zinc/80/48/36/720804836.db2.gz	FPBIFKUZMINAHV-NWDGAFQWSA-N	1	1	412.828	1.815	20	0		HDADMO
COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164752059	720805256	/nfs/dbraw/zinc/80/52/56/720805256.db2.gz	YMFPEYWMKIIGAN-HZSPNIEDSA-N	1	1	418.885	1.538	20	0		HDADMO
CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1	ZINC001164745143	720821685	/nfs/dbraw/zinc/82/16/85/720821685.db2.gz	WQBQSOGKELWYPD-YQVWRLOYSA-N	1	1	411.510	1.624	20	0		HDADMO
COC(=O)Cc1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164742604	720825512	/nfs/dbraw/zinc/82/55/12/720825512.db2.gz	QBRZVCSSXVMELX-YZGWKJHDSA-N	1	1	410.522	1.768	20	0		HDADMO
CCOC(=O)c1nccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745569	720828561	/nfs/dbraw/zinc/82/85/61/720828561.db2.gz	WUVYLMYZPHZZIN-RCCFBDPRSA-N	1	1	411.510	1.624	20	0		HDADMO
c1cn(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cn1	ZINC001164748942	720837331	/nfs/dbraw/zinc/83/73/31/720837331.db2.gz	VDKZCHIVSONTLA-GBESFXJTSA-N	1	1	405.510	1.633	20	0		HDADMO
c1cn(-c2cncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cn1	ZINC001164747396	720839135	/nfs/dbraw/zinc/83/91/35/720839135.db2.gz	QMAGQDVXSMQAPT-GBESFXJTSA-N	1	1	405.510	1.633	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc4cc(C(=O)OC)ccc4n3)CC[C@H]2C1	ZINC001164850936	720839275	/nfs/dbraw/zinc/83/92/75/720839275.db2.gz	FRSMJRSXTDBMAT-LPHOPBHVSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4ccc(C(=O)OC)cc43)CC[C@H]2C1	ZINC001164848593	720839329	/nfs/dbraw/zinc/83/93/29/720839329.db2.gz	ANRUPDNDEIYISY-LPHOPBHVSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc4ccc(C(=O)OC)cc4n3)CC[C@H]2C1	ZINC001164856405	720839337	/nfs/dbraw/zinc/83/93/37/720839337.db2.gz	WEGSXRCHBJKGQB-HKUYNNGSSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc5c(cc43)OCCO5)CC[C@H]2C1	ZINC001164851828	720840876	/nfs/dbraw/zinc/84/08/76/720840876.db2.gz	IAMLBSUOYUMOSC-YWZLYKJASA-N	1	1	400.479	1.575	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164850288	720850930	/nfs/dbraw/zinc/85/09/30/720850930.db2.gz	FDLKURJEOIZWLO-HUUCEWRRSA-N	1	1	412.918	1.409	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)Nc3cc(C)on3)CC[C@@H]2C1	ZINC001164856763	720873806	/nfs/dbraw/zinc/87/38/06/720873806.db2.gz	JDXGYWUUJRLBRP-SJLPKXTDSA-N	1	1	415.494	1.804	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC[C@@H]2C1	ZINC001164864371	720890299	/nfs/dbraw/zinc/89/02/99/720890299.db2.gz	VQCYGODOIFOYCZ-NEPJUHHUSA-N	1	1	419.309	1.744	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164861969	720892596	/nfs/dbraw/zinc/89/25/96/720892596.db2.gz	ZSEZPGOLGCHVCF-HOCLYGCPSA-N	1	1	411.934	1.443	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C	ZINC001164859856	720976873	/nfs/dbraw/zinc/97/68/73/720976873.db2.gz	MSQQPPVNQYOCDK-HNNXBMFYSA-N	1	1	406.556	1.998	20	0		HDADMO
CN(C)C(=O)NC[C@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]21	ZINC001164758958	721000383	/nfs/dbraw/zinc/00/03/83/721000383.db2.gz	XRUOFWGCZYLYLJ-LSTHTHJFSA-N	1	1	417.554	1.667	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164871423	721048181	/nfs/dbraw/zinc/04/81/81/721048181.db2.gz	YQOMOAZKHASDKU-LSDHHAIUSA-N	1	1	403.870	1.791	20	0		HDADMO
Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CCNC2	ZINC001164865851	721058356	/nfs/dbraw/zinc/05/83/56/721058356.db2.gz	APAGUGFJMNNBPW-CVEARBPZSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CCNC2	ZINC001164865851	721058360	/nfs/dbraw/zinc/05/83/60/721058360.db2.gz	APAGUGFJMNNBPW-CVEARBPZSA-N	1	1	400.914	1.650	20	0		HDADMO
CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12	ZINC001164768662	721095053	/nfs/dbraw/zinc/09/50/53/721095053.db2.gz	OCAAOWAKKQTKPL-HZPDHXFCSA-N	1	1	409.494	1.826	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164762060	721118942	/nfs/dbraw/zinc/11/89/42/721118942.db2.gz	BHZXHHOAZAHVPT-HZPDHXFCSA-N	1	1	400.483	1.354	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001164876536	721140832	/nfs/dbraw/zinc/14/08/32/721140832.db2.gz	NBEPHDWQZBVTPB-QZTJIDSGSA-N	1	1	417.535	1.207	20	0		HDADMO
CN1CCN(c2nccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1	ZINC001164879869	721167019	/nfs/dbraw/zinc/16/70/19/721167019.db2.gz	UWKHPQNFOYOQCE-PMACEKPBSA-N	1	1	409.538	1.103	20	0		HDADMO
c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@H+]3C2)c1	ZINC001164880986	721168844	/nfs/dbraw/zinc/16/88/44/721168844.db2.gz	YOQQMWAOYIXYFW-RTBURBONSA-N	1	1	412.563	1.905	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164866504	721195412	/nfs/dbraw/zinc/19/54/12/721195412.db2.gz	BPXQYIZBSLOGMI-QZTJIDSGSA-N	1	1	402.520	1.750	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164866504	721195418	/nfs/dbraw/zinc/19/54/18/721195418.db2.gz	BPXQYIZBSLOGMI-QZTJIDSGSA-N	1	1	402.520	1.750	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@H]3C2)cn1	ZINC001164773314	721207629	/nfs/dbraw/zinc/20/76/29/721207629.db2.gz	WEMAMKSMRPBBGP-LEWJYISDSA-N	1	1	404.518	1.983	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ccc4S(N)(=O)=O)C[C@H]3C2)cn1	ZINC001164765944	721224557	/nfs/dbraw/zinc/22/45/57/721224557.db2.gz	IRJWZDMYGYTINY-UONOGXRCSA-N	1	1	410.931	1.074	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164760692	721246891	/nfs/dbraw/zinc/24/68/91/721246891.db2.gz	FXXRFMXQUYNIIJ-HUUCEWRRSA-N	1	1	403.918	1.572	20	0		HDADMO
COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164878761	721262031	/nfs/dbraw/zinc/26/20/31/721262031.db2.gz	VMXWVMGRXDXMHU-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc(Cl)n3)CC2)C1	ZINC001164869898	721268215	/nfs/dbraw/zinc/26/82/15/721268215.db2.gz	SSTJTZVXXYQHJU-UHFFFAOYSA-N	1	1	403.314	1.185	20	0		HDADMO
COc1c(Cl)nc(C)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164870425	721273001	/nfs/dbraw/zinc/27/30/01/721273001.db2.gz	YLCRPBRAHGKMKZ-UHFFFAOYSA-N	1	1	411.934	1.454	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)cc(N(C)C)n3)CC2)C1	ZINC001164875642	721275419	/nfs/dbraw/zinc/27/54/19/721275419.db2.gz	YGMRMVKSHYCOCD-UHFFFAOYSA-N	1	1	410.950	1.203	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4cc(Cl)cnc43)CC2)C1	ZINC001164872764	721277535	/nfs/dbraw/zinc/27/75/35/721277535.db2.gz	FRXPKZSFIZUHFH-UHFFFAOYSA-N	1	1	418.929	1.685	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nccnc3Cl)CC2)C1	ZINC001164874428	721281830	/nfs/dbraw/zinc/28/18/30/721281830.db2.gz	ROHOMFDYZINKKG-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
COC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1	ZINC001164778177	721339132	/nfs/dbraw/zinc/33/91/32/721339132.db2.gz	JYTCKOSAWXFWEM-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1	ZINC001164778177	721339135	/nfs/dbraw/zinc/33/91/35/721339135.db2.gz	JYTCKOSAWXFWEM-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1	ZINC001164779979	721340651	/nfs/dbraw/zinc/34/06/51/721340651.db2.gz	XUTQWJULWKEFJK-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1	ZINC001164779979	721340656	/nfs/dbraw/zinc/34/06/56/721340656.db2.gz	XUTQWJULWKEFJK-OAQYLSRUSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164892283	721383501	/nfs/dbraw/zinc/38/35/01/721383501.db2.gz	SRGQUSBVNVDCKC-YWZLYKJASA-N	1	1	423.945	1.682	20	0		HDADMO
CCOC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164887792	721391964	/nfs/dbraw/zinc/39/19/64/721391964.db2.gz	IJYXRGPUMPFJFA-UWJYYQICSA-N	1	1	403.527	1.419	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21	ZINC001164886271	721413744	/nfs/dbraw/zinc/41/37/44/721413744.db2.gz	IPQMBRUMRRPZKA-DRSNIGMVSA-N	1	1	414.554	1.688	20	0		HDADMO
COC(=O)c1nc(Cl)cnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164883865	721414158	/nfs/dbraw/zinc/41/41/58/721414158.db2.gz	CBKKJLXLGAXKGO-QRWLVFNGSA-N	1	1	423.945	1.682	20	0		HDADMO
C[C@@H]1C(=O)Nc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21	ZINC001164886598	721418167	/nfs/dbraw/zinc/41/81/67/721418167.db2.gz	KHDRKJCXGXSYAB-MRUHUIDDSA-N	1	1	400.527	1.298	20	0		HDADMO
CNC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1Cl	ZINC001164889801	721420551	/nfs/dbraw/zinc/42/05/51/721420551.db2.gz	RMFKXUGQVLOENN-IIBYNOLFSA-N	1	1	421.973	1.860	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1	ZINC001164897724	721424453	/nfs/dbraw/zinc/42/44/53/721424453.db2.gz	UNUKOPMXAUSCTL-SIKLNZKXSA-N	1	1	400.571	1.842	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164890266	721426239	/nfs/dbraw/zinc/42/62/39/721426239.db2.gz	CWTBTIRSVMXUNJ-PGRDOPGGSA-N	1	1	417.554	1.480	20	0		HDADMO
O=S(=O)(c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1)N1CCCC1	ZINC001164784809	721426509	/nfs/dbraw/zinc/42/65/09/721426509.db2.gz	MMCJIMLGNAAAEL-HZPDHXFCSA-N	1	1	419.576	1.891	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164897143	721441886	/nfs/dbraw/zinc/44/18/86/721441886.db2.gz	SQELMDQODCJEJB-DENIHFKCSA-N	1	1	417.554	1.480	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2)CC1	ZINC001164898958	721484649	/nfs/dbraw/zinc/48/46/49/721484649.db2.gz	XNXQDCIPIKRRPN-FDDCHVKYSA-N	1	1	414.550	1.924	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@@H]2CCCO[C@@H]12	ZINC001164801221	721562710	/nfs/dbraw/zinc/56/27/10/721562710.db2.gz	GLYNIAYQWBAHOI-IIAWOOMASA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@@H]2CCCO[C@@H]12	ZINC001164801221	721562712	/nfs/dbraw/zinc/56/27/12/721562712.db2.gz	GLYNIAYQWBAHOI-IIAWOOMASA-N	1	1	402.886	1.492	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164806259	721565217	/nfs/dbraw/zinc/56/52/17/721565217.db2.gz	PLNQOUGWGKWPOZ-ZIFCJYIRSA-N	1	1	417.535	1.253	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164806259	721565221	/nfs/dbraw/zinc/56/52/21/721565221.db2.gz	PLNQOUGWGKWPOZ-ZIFCJYIRSA-N	1	1	417.535	1.253	20	0		HDADMO
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@@H]12	ZINC001164800350	721569711	/nfs/dbraw/zinc/56/97/11/721569711.db2.gz	FCUZZHMQENITQL-QZNHQXDQSA-N	1	1	408.550	1.754	20	0		HDADMO
Cc1cc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n1)C(=O)NC2=O	ZINC001164806735	721575577	/nfs/dbraw/zinc/57/55/77/721575577.db2.gz	RJYMQQPKTOHFTO-LNLFQRSKSA-N	1	1	407.474	1.537	20	0		HDADMO
Cc1cc2c(c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n1)C(=O)NC2=O	ZINC001164806735	721575578	/nfs/dbraw/zinc/57/55/78/721575578.db2.gz	RJYMQQPKTOHFTO-LNLFQRSKSA-N	1	1	407.474	1.537	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2CCCO[C@@H]12	ZINC001164800736	721584505	/nfs/dbraw/zinc/58/45/05/721584505.db2.gz	CQUPDBPAAHASQP-QKNQBKEWSA-N	1	1	408.506	1.632	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2CCCO[C@@H]12	ZINC001164800736	721584506	/nfs/dbraw/zinc/58/45/06/721584506.db2.gz	CQUPDBPAAHASQP-QKNQBKEWSA-N	1	1	408.506	1.632	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2CCCO[C@H]12	ZINC001164800748	721584669	/nfs/dbraw/zinc/58/46/69/721584669.db2.gz	CQUPDBPAAHASQP-ZVDOUQERSA-N	1	1	408.506	1.632	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2CCCO[C@H]12	ZINC001164800748	721584673	/nfs/dbraw/zinc/58/46/73/721584673.db2.gz	CQUPDBPAAHASQP-ZVDOUQERSA-N	1	1	408.506	1.632	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@H]2CCCO[C@@H]12	ZINC001164808871	721591602	/nfs/dbraw/zinc/59/16/02/721591602.db2.gz	QZYFHSKMPMHTEQ-NLWGTHIKSA-N	1	1	408.506	1.716	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@H]2CCCO[C@@H]12	ZINC001164808871	721591604	/nfs/dbraw/zinc/59/16/04/721591604.db2.gz	QZYFHSKMPMHTEQ-NLWGTHIKSA-N	1	1	408.506	1.716	20	0		HDADMO
NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1	ZINC001164910654	721731367	/nfs/dbraw/zinc/73/13/67/721731367.db2.gz	HPAHMOSHEJBAKI-QGZVFWFLSA-N	1	1	424.477	1.257	20	0		HDADMO
CN(C)C(=O)CN1CCC2(CCCN2c2ccc(OCC3CC[NH2+]CC3)nn2)CC1	ZINC001165012899	721747993	/nfs/dbraw/zinc/74/79/93/721747993.db2.gz	RCFGCWSBVFUZRK-UHFFFAOYSA-N	1	1	416.570	1.378	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1)C1CC1	ZINC001165023736	721777766	/nfs/dbraw/zinc/77/77/66/721777766.db2.gz	UNHANGASDHNGIB-NFBKMPQASA-N	1	1	414.550	1.910	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)n2)CC1	ZINC001164922625	721840653	/nfs/dbraw/zinc/84/06/53/721840653.db2.gz	HIBHTANXCBQISD-PGRDOPGGSA-N	1	1	410.522	1.293	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1C(=O)OCC	ZINC001164929013	721855858	/nfs/dbraw/zinc/85/58/58/721855858.db2.gz	PRYBAVASPYKYBB-HZPDHXFCSA-N	1	1	405.499	1.045	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1C(=O)OCC	ZINC001164929013	721855860	/nfs/dbraw/zinc/85/58/60/721855860.db2.gz	PRYBAVASPYKYBB-HZPDHXFCSA-N	1	1	405.499	1.045	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C	ZINC001164925197	721869364	/nfs/dbraw/zinc/86/93/64/721869364.db2.gz	MXDIFRLQJDRREZ-UONOGXRCSA-N	1	1	421.933	1.257	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C	ZINC001164925197	721869366	/nfs/dbraw/zinc/86/93/66/721869366.db2.gz	MXDIFRLQJDRREZ-UONOGXRCSA-N	1	1	421.933	1.257	20	0		HDADMO
CCOC(=O)C[C@@H]1C(=O)NCCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2	ZINC001165034921	721874656	/nfs/dbraw/zinc/87/46/56/721874656.db2.gz	QFLIIMHNFQBKLH-HXUWFJFHSA-N	1	1	408.502	1.898	20	0		HDADMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(N)(=O)=O)nn4)CC3)C2)cc1	ZINC001164938990	721932624	/nfs/dbraw/zinc/93/26/24/721932624.db2.gz	GBIXJSHQSJEMFH-UHFFFAOYSA-N	1	1	417.535	1.304	20	0		HDADMO
CCN(CCC(N)=O)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1	ZINC001165048415	721983852	/nfs/dbraw/zinc/98/38/52/721983852.db2.gz	WWJNETODVMDHLM-HNNXBMFYSA-N	1	1	405.543	1.582	20	0		HDADMO
CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]2C1	ZINC001164948837	721989991	/nfs/dbraw/zinc/98/99/91/721989991.db2.gz	FJEWTRDZFDITLI-IAGOWNOFSA-N	1	1	423.583	1.119	20	0		HDADMO
NC(=O)[C@H]1CCCN1c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncn1	ZINC001164960643	722023375	/nfs/dbraw/zinc/02/33/75/722023375.db2.gz	MABVHCDAXWYMMU-LJQANCHMSA-N	1	1	421.549	1.818	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)n2)CC1	ZINC001164963084	722029740	/nfs/dbraw/zinc/02/97/40/722029740.db2.gz	ZSMNGSHYPAXBIG-AOIWGVFYSA-N	1	1	414.485	1.578	20	0		HDADMO
Cn1cc(C(=O)NC[C@H]2OC[C@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]32)cn1	ZINC001164958370	722032145	/nfs/dbraw/zinc/03/21/45/722032145.db2.gz	OQUXEUZJXUNYJE-HMXCVIKNSA-N	1	1	424.549	1.681	20	0		HDADMO
CN(C)c1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc2nc[nH]c21	ZINC001164964191	722057485	/nfs/dbraw/zinc/05/74/85/722057485.db2.gz	SXERKKWMEZTLBA-UHFFFAOYSA-N	1	1	422.537	1.933	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1	ZINC001164961494	722061140	/nfs/dbraw/zinc/06/11/40/722061140.db2.gz	KUMMFNWOFXUJFI-UHFFFAOYSA-N	1	1	422.533	1.883	20	0		HDADMO
Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CNCC2	ZINC001164985913	722100041	/nfs/dbraw/zinc/10/00/41/722100041.db2.gz	XQWRGKLQOHOBMZ-APWZRJJASA-N	1	1	414.941	1.898	20	0		HDADMO
Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CNCC2	ZINC001164985913	722100043	/nfs/dbraw/zinc/10/00/43/722100043.db2.gz	XQWRGKLQOHOBMZ-APWZRJJASA-N	1	1	414.941	1.898	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC001164986094	722102263	/nfs/dbraw/zinc/10/22/63/722102263.db2.gz	XYUPVCGRKIBSCU-DOTOQJQBSA-N	1	1	401.898	1.956	20	0		HDADMO
c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@@H]3C2)c1	ZINC001164982802	722103106	/nfs/dbraw/zinc/10/31/06/722103106.db2.gz	PDBYXZDMJJFLCC-UXHICEINSA-N	1	1	410.522	1.436	20	0		HDADMO
CCOC(=O)Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164979159	722124434	/nfs/dbraw/zinc/12/44/34/722124434.db2.gz	PHDIBMFPQHVEEI-VQTJNVASSA-N	1	1	411.506	1.705	20	0		HDADMO
NC(=O)c1nc(Cl)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164971043	722125970	/nfs/dbraw/zinc/12/59/70/722125970.db2.gz	BDTSVNKZSVLXCB-LSDHHAIUSA-N	1	1	402.886	1.351	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164983826	722136215	/nfs/dbraw/zinc/13/62/15/722136215.db2.gz	VKDLUISAJWZZTM-PKOBYXMFSA-N	1	1	402.520	1.607	20	0		HDADMO
CN1CCN(c2nccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1	ZINC001164978903	722149296	/nfs/dbraw/zinc/14/92/96/722149296.db2.gz	KRHGRMNBNJXEOD-NHCUHLMSSA-N	1	1	423.565	1.351	20	0		HDADMO
COc1ccc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2c1	ZINC001164997094	722231710	/nfs/dbraw/zinc/23/17/10/722231710.db2.gz	PKOUOKBBIJVZGK-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2SCC4)CC3)CC1	ZINC001164996495	722232055	/nfs/dbraw/zinc/23/20/55/722232055.db2.gz	IHPKISNHFXSBMO-UHFFFAOYSA-N	1	1	417.970	1.925	20	0		HDADMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000429044443	1073456915	/nfs/dbraw/zinc/45/69/15/1073456915.db2.gz	UIZMCLQOOJSHKV-DENIHFKCSA-N	1	1	400.523	1.589	20	0		HDADMO
CCOc1ccc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1S(=O)(=O)N(CC)CC	ZINC000509071389	1073457609	/nfs/dbraw/zinc/45/76/09/1073457609.db2.gz	PVEZJZZMSQGCGP-HOCLYGCPSA-N	1	1	413.540	1.367	20	0		HDADMO
CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1S(=O)(=O)N(CC)CC	ZINC000509071389	1073457612	/nfs/dbraw/zinc/45/76/12/1073457612.db2.gz	PVEZJZZMSQGCGP-HOCLYGCPSA-N	1	1	413.540	1.367	20	0		HDADMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000429047557	1073467588	/nfs/dbraw/zinc/46/75/88/1073467588.db2.gz	XKEQEDLZMNUOMD-NHCUHLMSSA-N	1	1	412.538	1.991	20	0		HDADMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCOc1ccccc1I	ZINC001299281223	1073470060	/nfs/dbraw/zinc/47/00/60/1073470060.db2.gz	LPNDTOUMWWESMO-CYBMUJFWSA-N	1	1	418.275	1.585	20	0		HDADMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCOc1ccccc1I	ZINC001299281223	1073470065	/nfs/dbraw/zinc/47/00/65/1073470065.db2.gz	LPNDTOUMWWESMO-CYBMUJFWSA-N	1	1	418.275	1.585	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c(C)nn(C)c2C)C3)CC[N@H+]1C	ZINC001004547227	1073473817	/nfs/dbraw/zinc/47/38/17/1073473817.db2.gz	WYMRTURBLNXJKQ-LHDHZVESSA-N	1	1	401.555	1.558	20	0		HDADMO
O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000673643131	1073488423	/nfs/dbraw/zinc/48/84/23/1073488423.db2.gz	LYZQMHLYDYUIBM-CVDCTZTESA-N	1	1	408.502	1.896	20	0		HDADMO
CCOC(=O)C1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CCOCC1	ZINC000509098376	1073522833	/nfs/dbraw/zinc/52/28/33/1073522833.db2.gz	LBZSUJKHBNONNV-KRWDZBQOSA-N	1	1	417.506	1.682	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1	ZINC000429080051	1073523296	/nfs/dbraw/zinc/52/32/96/1073523296.db2.gz	XLOJXYXZBSAWBK-DOTOQJQBSA-N	1	1	400.483	1.303	20	0		HDADMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000429081710	1073526903	/nfs/dbraw/zinc/52/69/03/1073526903.db2.gz	PWAHOZAEANDCIZ-ZACQAIPSSA-N	1	1	400.531	1.369	20	0		HDADMO
COc1cccc(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC2)c1	ZINC000673648026	1073535777	/nfs/dbraw/zinc/53/57/77/1073535777.db2.gz	FKFGGSIZSMTHII-JOCHJYFZSA-N	1	1	422.529	1.968	20	0		HDADMO
COc1cccc(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC2)c1	ZINC000673648026	1073535791	/nfs/dbraw/zinc/53/57/91/1073535791.db2.gz	FKFGGSIZSMTHII-JOCHJYFZSA-N	1	1	422.529	1.968	20	0		HDADMO
COc1cccc(-c2noc(SCC(=O)NCCC(=O)N3CC[NH+](C)CC3)n2)c1	ZINC000544558740	1073549679	/nfs/dbraw/zinc/54/96/79/1073549679.db2.gz	NWJYBQRGFVJRRD-UHFFFAOYSA-N	1	1	419.507	1.118	20	0		HDADMO
Cc1sc2ncn(CC(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)c(=O)c2c1C	ZINC000625189505	1073556895	/nfs/dbraw/zinc/55/68/95/1073556895.db2.gz	MHVGEXZKFJPKSI-MRXNPFEDSA-N	1	1	404.536	1.788	20	0		HDADMO
O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625185622	1073564018	/nfs/dbraw/zinc/56/40/18/1073564018.db2.gz	SPVGADLYAZPLGR-ZDUSSCGKSA-N	1	1	421.972	1.393	20	0		HDADMO
Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625186537	1073565205	/nfs/dbraw/zinc/56/52/05/1073565205.db2.gz	XBOZMLZFEMPUJZ-GOSISDBHSA-N	1	1	411.506	1.396	20	0		HDADMO
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000055407336	1073582534	/nfs/dbraw/zinc/58/25/34/1073582534.db2.gz	KUZPMQOSPXJSIS-HOTGVXAUSA-N	1	1	405.543	1.084	20	0		HDADMO
CN1C(=O)C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H]1c1ccc(Cl)cc1	ZINC000509119417	1073597196	/nfs/dbraw/zinc/59/71/96/1073597196.db2.gz	CHMQWGPIKNHNKE-BQFCYCMXSA-N	1	1	421.929	1.251	20	0		HDADMO
Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)c1	ZINC000673661571	1073615384	/nfs/dbraw/zinc/61/53/84/1073615384.db2.gz	INFFSGPLSRTXRW-FGZHOGPDSA-N	1	1	400.567	1.565	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668947	1073623161	/nfs/dbraw/zinc/62/31/61/1073623161.db2.gz	CVKUEKAJXBTYLR-WIYYLYMNSA-N	1	1	419.614	1.978	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668947	1073623166	/nfs/dbraw/zinc/62/31/66/1073623166.db2.gz	CVKUEKAJXBTYLR-WIYYLYMNSA-N	1	1	419.614	1.978	20	0		HDADMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1	ZINC000673703216	1073644881	/nfs/dbraw/zinc/64/48/81/1073644881.db2.gz	ZCIVOKREGXOKBD-QGZVFWFLSA-N	1	1	400.589	1.612	20	0		HDADMO
COCc1ccc(C[N@@H+]2CCO[C@@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001108085045	1073655720	/nfs/dbraw/zinc/65/57/20/1073655720.db2.gz	PXBMQUWNJAIBNG-OJMNFPMESA-N	1	1	400.519	1.964	20	0		HDADMO
COCc1ccc(C[N@H+]2CCO[C@@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001108085045	1073655724	/nfs/dbraw/zinc/65/57/24/1073655724.db2.gz	PXBMQUWNJAIBNG-OJMNFPMESA-N	1	1	400.519	1.964	20	0		HDADMO
C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)CCO1	ZINC000509130697	1073671894	/nfs/dbraw/zinc/67/18/94/1073671894.db2.gz	ZYZDIHADJLTYBQ-XLIONFOSSA-N	1	1	403.523	1.328	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1	ZINC000673748962	1073672381	/nfs/dbraw/zinc/67/23/81/1073672381.db2.gz	JCGQUSMTUFABNN-KRWDZBQOSA-N	1	1	401.532	2.000	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1	ZINC000673748963	1073672533	/nfs/dbraw/zinc/67/25/33/1073672533.db2.gz	JCGQUSMTUFABNN-QGZVFWFLSA-N	1	1	401.532	2.000	20	0		HDADMO
CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1	ZINC000946684672	1073674991	/nfs/dbraw/zinc/67/49/91/1073674991.db2.gz	MQOWUDJODINKNY-XWEXYQFDSA-N	1	1	400.527	1.348	20	0		HDADMO
CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1	ZINC000946684672	1073674997	/nfs/dbraw/zinc/67/49/97/1073674997.db2.gz	MQOWUDJODINKNY-XWEXYQFDSA-N	1	1	400.527	1.348	20	0		HDADMO
CCC[C@@H]1C[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCO1	ZINC000509130569	1073680846	/nfs/dbraw/zinc/68/08/46/1073680846.db2.gz	YGDLUWYGNFYZBW-WOJBJXKFSA-N	1	1	409.571	1.659	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1	ZINC000673749646	1073684354	/nfs/dbraw/zinc/68/43/54/1073684354.db2.gz	DWFCNCAVUUHJQZ-SFHVURJKSA-N	1	1	416.547	1.873	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000673757099	1073692458	/nfs/dbraw/zinc/69/24/58/1073692458.db2.gz	IQLCIKDFIXTRNC-KRWDZBQOSA-N	1	1	416.547	1.869	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@@H](C)C1	ZINC000429142870	1073763474	/nfs/dbraw/zinc/76/34/74/1073763474.db2.gz	OLENRLSVHNSWFL-QFBILLFUSA-N	1	1	411.568	1.978	20	0		HDADMO
CN(C)C(=O)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1	ZINC000015501294	1073783025	/nfs/dbraw/zinc/78/30/25/1073783025.db2.gz	PJHYKHAXUAYLQI-FQEVSTJZSA-N	1	1	417.531	1.627	20	0		HDADMO
Cc1c(C(=O)N2CCN(C3CCOCC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000673828612	1073786141	/nfs/dbraw/zinc/78/61/41/1073786141.db2.gz	IAQVFLRXQCKQKE-UHFFFAOYSA-N	1	1	424.549	1.500	20	0		HDADMO
Cc1c(C(=O)N2CCN(C3CCOCC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000673828612	1073786143	/nfs/dbraw/zinc/78/61/43/1073786143.db2.gz	IAQVFLRXQCKQKE-UHFFFAOYSA-N	1	1	424.549	1.500	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)CC2)CC1	ZINC000673836953	1073811125	/nfs/dbraw/zinc/81/11/25/1073811125.db2.gz	BEBDUWQGROBFLF-IBGZPJMESA-N	1	1	414.554	1.238	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CCOCC2)C1=O	ZINC000673849599	1073815115	/nfs/dbraw/zinc/81/51/15/1073815115.db2.gz	DEHBBVKFGASMHG-TZIWHRDSSA-N	1	1	414.550	1.978	20	0		HDADMO
COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c(OC)c1	ZINC000029630626	1073845100	/nfs/dbraw/zinc/84/51/00/1073845100.db2.gz	PRXZEHUQUCDNQW-IBGZPJMESA-N	1	1	416.474	1.749	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000429162832	1073889797	/nfs/dbraw/zinc/88/97/97/1073889797.db2.gz	SYEABAQXPDZFJM-WMZOPIPTSA-N	1	1	409.552	1.323	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000429162832	1073889809	/nfs/dbraw/zinc/88/98/09/1073889809.db2.gz	SYEABAQXPDZFJM-WMZOPIPTSA-N	1	1	409.552	1.323	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3csc(-c4ccco4)n3)CC2)C1	ZINC000673928197	1073897938	/nfs/dbraw/zinc/89/79/38/1073897938.db2.gz	FSTXAEIPSONDQJ-MRXNPFEDSA-N	1	1	417.535	1.258	20	0		HDADMO
Cn1cc(N2CCN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)CC2=O)cn1	ZINC000429175215	1073948281	/nfs/dbraw/zinc/94/82/81/1073948281.db2.gz	IJRTYMXKTLSMRN-KRWDZBQOSA-N	1	1	404.902	1.735	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc(C(=O)OCC)c1	ZINC000429176550	1073951094	/nfs/dbraw/zinc/95/10/94/1073951094.db2.gz	OQKSRBGCTGFJQK-AWEZNQCLSA-N	1	1	407.467	1.570	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc(C(=O)OCC)c1	ZINC000429176550	1073951098	/nfs/dbraw/zinc/95/10/98/1073951098.db2.gz	OQKSRBGCTGFJQK-AWEZNQCLSA-N	1	1	407.467	1.570	20	0		HDADMO
Cc1c([C@H](C)[NH2+]CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cnn1C	ZINC000543514920	1073952436	/nfs/dbraw/zinc/95/24/36/1073952436.db2.gz	NDSPXWLDIIKKLG-ZFWWWQNUSA-N	1	1	410.565	1.657	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)C1	ZINC000466584874	1074028865	/nfs/dbraw/zinc/02/88/65/1074028865.db2.gz	DRASSLWMHDXTFX-MRXNPFEDSA-N	1	1	422.961	1.565	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NCCC2CCS(=O)(=O)CC2)[C@@H](C)C1	ZINC000509193884	1074040208	/nfs/dbraw/zinc/04/02/08/1074040208.db2.gz	FSWPHXCUJFYUBU-WMZOPIPTSA-N	1	1	403.589	1.638	20	0		HDADMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1	ZINC000543535623	1074040688	/nfs/dbraw/zinc/04/06/88/1074040688.db2.gz	YBWKZUPPODCSJT-QGZVFWFLSA-N	1	1	415.538	1.779	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=O)N3CCN(CCOC)C(=O)C3)CC2)cs1	ZINC000509193603	1074041342	/nfs/dbraw/zinc/04/13/42/1074041342.db2.gz	FJKVCAGMCXLPEF-UHFFFAOYSA-N	1	1	423.583	1.418	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCO1	ZINC001649123320	1074053886	/nfs/dbraw/zinc/05/38/86/1074053886.db2.gz	VHTHEPKEABXXLI-OPYAIIAOSA-N	1	1	406.527	1.415	20	0		HDADMO
CNC(=O)N[C@H]1CCN(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000466593033	1074054482	/nfs/dbraw/zinc/05/44/82/1074054482.db2.gz	LOVVDYPJKIOKNS-FQEVSTJZSA-N	1	1	416.570	1.297	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@@H](C)c2cn(-c3ccccc3)nn2)C1	ZINC000543545296	1074058707	/nfs/dbraw/zinc/05/87/07/1074058707.db2.gz	JWMCNMJYFNZDOR-HKUYNNGSSA-N	1	1	400.527	1.391	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc2)C[C@H](C)O1	ZINC000429198239	1074061180	/nfs/dbraw/zinc/06/11/80/1074061180.db2.gz	RBGQUOMXFPKXBU-FCEWJHQRSA-N	1	1	400.523	1.858	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2=O)c1	ZINC000466610196	1074090308	/nfs/dbraw/zinc/09/03/08/1074090308.db2.gz	WQLRSKJVUOTSHY-FASAQXTFSA-N	1	1	402.495	1.591	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)C2=O)c1	ZINC000466610195	1074090410	/nfs/dbraw/zinc/09/04/10/1074090410.db2.gz	WQLRSKJVUOTSHY-AGRHKRQWSA-N	1	1	402.495	1.591	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC(F)F)cc3)CC2)C1	ZINC000674039209	1074113083	/nfs/dbraw/zinc/11/30/83/1074113083.db2.gz	LDEBVCPRUCJVOE-MRXNPFEDSA-N	1	1	410.465	1.507	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCCSC3)cc2)CC1	ZINC000674042052	1074120557	/nfs/dbraw/zinc/12/05/57/1074120557.db2.gz	LUZNKLRLKCOELW-KRWDZBQOSA-N	1	1	404.536	1.415	20	0		HDADMO
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000229625203	1074147024	/nfs/dbraw/zinc/14/70/24/1074147024.db2.gz	PSYGYUQEUDETAK-RTBURBONSA-N	1	1	417.554	1.214	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1	ZINC000674055542	1074149766	/nfs/dbraw/zinc/14/97/66/1074149766.db2.gz	DMRYZDCPMONAJH-ZBFHGGJFSA-N	1	1	409.556	1.974	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1	ZINC000509218780	1074170082	/nfs/dbraw/zinc/17/00/82/1074170082.db2.gz	PWJCOJJLSMMSLB-PBHICJAKSA-N	1	1	403.570	1.478	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1	ZINC000509218780	1074170085	/nfs/dbraw/zinc/17/00/85/1074170085.db2.gz	PWJCOJJLSMMSLB-PBHICJAKSA-N	1	1	403.570	1.478	20	0		HDADMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC000429221573	1074173862	/nfs/dbraw/zinc/17/38/62/1074173862.db2.gz	KHWAFGPHBWCKNV-CQSZACIVSA-N	1	1	402.499	1.866	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCO)[C@@H]1CCc2ccccc21	ZINC000674158683	1074195671	/nfs/dbraw/zinc/19/56/71/1074195671.db2.gz	IELHBMULSIKROD-TZIWHRDSSA-N	1	1	402.539	1.084	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCO)[C@H]1CCc2ccccc21	ZINC000674158681	1074195719	/nfs/dbraw/zinc/19/57/19/1074195719.db2.gz	IELHBMULSIKROD-FPOVZHCZSA-N	1	1	402.539	1.084	20	0		HDADMO
CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nnc2n1CCCCC2	ZINC000674162263	1074198044	/nfs/dbraw/zinc/19/80/44/1074198044.db2.gz	ZYFBHOWTFRNAHR-ZWKOTPCHSA-N	1	1	419.574	1.161	20	0		HDADMO
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674149900	1074198711	/nfs/dbraw/zinc/19/87/11/1074198711.db2.gz	JRGVNMLYBCHLOE-MOPGFXCFSA-N	1	1	408.568	1.622	20	0		HDADMO
COCC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000674168821	1074201142	/nfs/dbraw/zinc/20/11/42/1074201142.db2.gz	NRVOQAKJEQGMEX-YLJYHZDGSA-N	1	1	402.539	1.834	20	0		HDADMO
Cn1ccnc1-c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1	ZINC000674194440	1074209745	/nfs/dbraw/zinc/20/97/45/1074209745.db2.gz	KGRDHBCJRUKYEU-IBGZPJMESA-N	1	1	410.522	1.264	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cccnc2OCc2ccccc2)CC1	ZINC000674202022	1074217072	/nfs/dbraw/zinc/21/70/72/1074217072.db2.gz	KEAYFAJEOYKGPX-UHFFFAOYSA-N	1	1	412.490	1.514	20	0		HDADMO
Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CCN(c4cc(C)[nH+]c(C)n4)CC3)cc12	ZINC000674230444	1074236813	/nfs/dbraw/zinc/23/68/13/1074236813.db2.gz	XHSDTLYDLVBEMY-UHFFFAOYSA-N	1	1	422.493	1.407	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1	ZINC001545674893	1074237743	/nfs/dbraw/zinc/23/77/43/1074237743.db2.gz	MYXXCGAPSUXWGB-WMZOPIPTSA-N	1	1	420.583	1.618	20	0		HDADMO
CC(C)CN(C(=O)CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000674250697	1074243308	/nfs/dbraw/zinc/24/33/08/1074243308.db2.gz	FTCFCGVQEAAGLM-RTWAWAEBSA-N	1	1	421.607	1.864	20	0		HDADMO
CC(C)CN(C(=O)CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000674250697	1074243310	/nfs/dbraw/zinc/24/33/10/1074243310.db2.gz	FTCFCGVQEAAGLM-RTWAWAEBSA-N	1	1	421.607	1.864	20	0		HDADMO
CCN(C(=O)[C@H](C)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000674264936	1074246490	/nfs/dbraw/zinc/24/64/90/1074246490.db2.gz	PGXJLZRHNURABR-IHPCNDPISA-N	1	1	407.580	1.617	20	0		HDADMO
CCN(C(=O)[C@H](C)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000674264936	1074246494	/nfs/dbraw/zinc/24/64/94/1074246494.db2.gz	PGXJLZRHNURABR-IHPCNDPISA-N	1	1	407.580	1.617	20	0		HDADMO
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C12CCCCC2	ZINC000674295632	1074261956	/nfs/dbraw/zinc/26/19/56/1074261956.db2.gz	OJALRGDWEHHODW-XUVXKRRUSA-N	1	1	408.587	1.820	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)C1	ZINC000674299633	1074263714	/nfs/dbraw/zinc/26/37/14/1074263714.db2.gz	RORBQLQILHIWPI-MOPGFXCFSA-N	1	1	419.957	1.867	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)C[N@H+]1C1CC1	ZINC000674300621	1074264104	/nfs/dbraw/zinc/26/41/04/1074264104.db2.gz	LYSIQQBDQDPFRQ-LPHOPBHVSA-N	1	1	415.534	1.740	20	0		HDADMO
CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674316851	1074266044	/nfs/dbraw/zinc/26/60/44/1074266044.db2.gz	FGMWWKDENYIIQH-IBGZPJMESA-N	1	1	403.527	1.131	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@H+](C)C[C@@H](O)C2CC2)c1	ZINC000674314136	1074270000	/nfs/dbraw/zinc/27/00/00/1074270000.db2.gz	XGAMGQNOGFFDOX-QGZVFWFLSA-N	1	1	413.540	1.367	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@@H+](C)C[C@@H](O)C2CC2)c1	ZINC000674314136	1074270005	/nfs/dbraw/zinc/27/00/05/1074270005.db2.gz	XGAMGQNOGFFDOX-QGZVFWFLSA-N	1	1	413.540	1.367	20	0		HDADMO
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1	ZINC000674329943	1074279144	/nfs/dbraw/zinc/27/91/44/1074279144.db2.gz	VGROLBGSNMXBOF-OAQYLSRUSA-N	1	1	409.619	1.450	20	0		HDADMO
COCCCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000674319130	1074279906	/nfs/dbraw/zinc/27/99/06/1074279906.db2.gz	QGNORDQPIMAIRN-FQEVSTJZSA-N	1	1	419.522	1.754	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1	ZINC000674330899	1074285938	/nfs/dbraw/zinc/28/59/38/1074285938.db2.gz	AXGSKTPOJPXCBG-HKUYNNGSSA-N	1	1	423.583	1.173	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)[nH]n2)cc1OC	ZINC000674360145	1074291697	/nfs/dbraw/zinc/29/16/97/1074291697.db2.gz	KJLFGZGZNDNHEN-KRWDZBQOSA-N	1	1	413.522	1.946	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)n[nH]2)cc1OC	ZINC000674360145	1074291699	/nfs/dbraw/zinc/29/16/99/1074291699.db2.gz	KJLFGZGZNDNHEN-KRWDZBQOSA-N	1	1	413.522	1.946	20	0		HDADMO
COc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)n[nH]2)cc1OC	ZINC000674360145	1074291703	/nfs/dbraw/zinc/29/17/03/1074291703.db2.gz	KJLFGZGZNDNHEN-KRWDZBQOSA-N	1	1	413.522	1.946	20	0		HDADMO
Cc1ccc(NC(=O)C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1S(N)(=O)=O	ZINC000674370770	1074299289	/nfs/dbraw/zinc/29/92/89/1074299289.db2.gz	BGCVMMRAEHWRSV-SFHVURJKSA-N	1	1	413.503	1.809	20	0		HDADMO
Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1S(N)(=O)=O	ZINC000674391603	1074306145	/nfs/dbraw/zinc/30/61/45/1074306145.db2.gz	SVUBFJYKVFWNSD-INIZCTEOSA-N	1	1	422.576	1.422	20	0		HDADMO
C[C@H](CNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@H+]1CCc2ccccc2C1	ZINC000674423606	1074326669	/nfs/dbraw/zinc/32/66/69/1074326669.db2.gz	GFHFXTOHZRHYRR-FXCLAUTBSA-N	1	1	413.522	1.453	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000674427693	1074331102	/nfs/dbraw/zinc/33/11/02/1074331102.db2.gz	QWZZPYVPVOOCMM-SPEDKVCISA-N	1	1	413.522	1.671	20	0		HDADMO
COC[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000674427683	1074331176	/nfs/dbraw/zinc/33/11/76/1074331176.db2.gz	ZZRHYPHMHBUYEL-LJQANCHMSA-N	1	1	404.511	1.668	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000674432179	1074342560	/nfs/dbraw/zinc/34/25/60/1074342560.db2.gz	IIRREBQXBUYREJ-IHWFROFDSA-N	1	1	420.579	1.859	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1=O	ZINC000674448003	1074345585	/nfs/dbraw/zinc/34/55/85/1074345585.db2.gz	CBSDNEOVDDREJT-LIRRHRJNSA-N	1	1	405.524	1.126	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1=O	ZINC000674448003	1074345591	/nfs/dbraw/zinc/34/55/91/1074345591.db2.gz	CBSDNEOVDDREJT-LIRRHRJNSA-N	1	1	405.524	1.126	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1=O	ZINC000674448001	1074345644	/nfs/dbraw/zinc/34/56/44/1074345644.db2.gz	CBSDNEOVDDREJT-IFXJQAMLSA-N	1	1	405.524	1.126	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1=O	ZINC000674448001	1074345650	/nfs/dbraw/zinc/34/56/50/1074345650.db2.gz	CBSDNEOVDDREJT-IFXJQAMLSA-N	1	1	405.524	1.126	20	0		HDADMO
COC[C@H]1CCC[N@@H+]1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674499716	1074393397	/nfs/dbraw/zinc/39/33/97/1074393397.db2.gz	FHAKYGVYENNCLN-OAHLLOKOSA-N	1	1	409.531	1.287	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674499716	1074393405	/nfs/dbraw/zinc/39/34/05/1074393405.db2.gz	FHAKYGVYENNCLN-OAHLLOKOSA-N	1	1	409.531	1.287	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000674500615	1074396135	/nfs/dbraw/zinc/39/61/35/1074396135.db2.gz	YEHMWLLORKPLJY-GOSISDBHSA-N	1	1	409.552	1.247	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	ZINC001626100162	1074409202	/nfs/dbraw/zinc/40/92/02/1074409202.db2.gz	DZANQMMJFZWBNO-KRWDZBQOSA-N	1	1	411.543	1.631	20	0		HDADMO
C[C@@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674516733	1074419114	/nfs/dbraw/zinc/41/91/14/1074419114.db2.gz	VNQKWAKGRJCWGY-IEBWSBKVSA-N	1	1	422.595	1.279	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)C[C@H]2C)CC1	ZINC000674535408	1074424575	/nfs/dbraw/zinc/42/45/75/1074424575.db2.gz	BZMHVDJEFJHRJN-SZVBFZGTSA-N	1	1	404.511	1.045	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1	ZINC000674580472	1074456300	/nfs/dbraw/zinc/45/63/00/1074456300.db2.gz	VGFFZIQXRZLDRY-UHFFFAOYSA-N	1	1	404.511	1.221	20	0		HDADMO
CC(C)([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccccc1F	ZINC000429233843	1074477387	/nfs/dbraw/zinc/47/73/87/1074477387.db2.gz	APISTCHRXNQSSV-HOTGVXAUSA-N	1	1	412.527	1.845	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000674633749	1074489269	/nfs/dbraw/zinc/48/92/69/1074489269.db2.gz	PJCZWEVCVPJRMZ-DOTOQJQBSA-N	1	1	414.597	1.808	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1Oc2ccccc2[C@H]1C	ZINC000674631747	1074495905	/nfs/dbraw/zinc/49/59/05/1074495905.db2.gz	URBSRGNNBHQRLI-IIMDRIAPSA-N	1	1	402.539	1.645	20	0		HDADMO
O=S(=O)(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc2c1OCO2	ZINC000509232981	1074502534	/nfs/dbraw/zinc/50/25/34/1074502534.db2.gz	JWWKLAAIYDMCGT-QGZVFWFLSA-N	1	1	404.488	1.985	20	0		HDADMO
O=S(=O)(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc2c1OCO2	ZINC000509232981	1074502537	/nfs/dbraw/zinc/50/25/37/1074502537.db2.gz	JWWKLAAIYDMCGT-QGZVFWFLSA-N	1	1	404.488	1.985	20	0		HDADMO
CC[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)C(=O)N1CCOCC1	ZINC000674647195	1074503834	/nfs/dbraw/zinc/50/38/34/1074503834.db2.gz	HTJJMJMCMXRHAZ-ICSRJNTNSA-N	1	1	402.539	1.930	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000429238245	1074516073	/nfs/dbraw/zinc/51/60/73/1074516073.db2.gz	YOEVMVUZBYIMLZ-UHFFFAOYSA-N	1	1	401.504	1.015	20	0		HDADMO
CCCCN(C(=O)C[N@@H+]1CCCC[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674714190	1074532953	/nfs/dbraw/zinc/53/29/53/1074532953.db2.gz	PPAXUJPKAUKKGZ-OAHLLOKOSA-N	1	1	409.531	1.167	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CCCC[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674714190	1074532954	/nfs/dbraw/zinc/53/29/54/1074532954.db2.gz	PPAXUJPKAUKKGZ-OAHLLOKOSA-N	1	1	409.531	1.167	20	0		HDADMO
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000670482922	1074550313	/nfs/dbraw/zinc/55/03/13/1074550313.db2.gz	RQTZIPNCMYGVEL-RXVVDRJESA-N	1	1	400.567	1.751	20	0		HDADMO
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000670482922	1074550320	/nfs/dbraw/zinc/55/03/20/1074550320.db2.gz	RQTZIPNCMYGVEL-RXVVDRJESA-N	1	1	400.567	1.751	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCN2CCCS2(=O)=O)cc1	ZINC000674760182	1074550872	/nfs/dbraw/zinc/55/08/72/1074550872.db2.gz	AKQSZBWTKWVTAQ-OAHLLOKOSA-N	1	1	405.524	1.967	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCN2CCCS2(=O)=O)cc1	ZINC000674761526	1074550891	/nfs/dbraw/zinc/55/08/91/1074550891.db2.gz	IJCQKQGZPBPRNU-OAHLLOKOSA-N	1	1	405.524	1.919	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCCOC[C@H]3CCOC3)C2)cc(OC)c1	ZINC000674777044	1074553435	/nfs/dbraw/zinc/55/34/35/1074553435.db2.gz	HBAFKGBLGVRQHQ-FUHWJXTLSA-N	1	1	407.511	1.630	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCCOC[C@H]3CCOC3)C2)cc(OC)c1	ZINC000674777044	1074553439	/nfs/dbraw/zinc/55/34/39/1074553439.db2.gz	HBAFKGBLGVRQHQ-FUHWJXTLSA-N	1	1	407.511	1.630	20	0		HDADMO
C[C@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc2)CCO1	ZINC000766068445	1074561496	/nfs/dbraw/zinc/56/14/96/1074561496.db2.gz	CBMQPLLTSKGBEI-PXNSSMCTSA-N	1	1	415.538	1.682	20	0		HDADMO
COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1	ZINC001128848907	1074591473	/nfs/dbraw/zinc/59/14/73/1074591473.db2.gz	QRFMWAHDSWOUBH-UHFFFAOYSA-N	1	1	416.459	1.948	20	0		HDADMO
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674872206	1074593321	/nfs/dbraw/zinc/59/33/21/1074593321.db2.gz	MYWPIVFTHFWLRZ-NHCUHLMSSA-N	1	1	415.582	1.833	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)nn2)cc1	ZINC000674874725	1074593926	/nfs/dbraw/zinc/59/39/26/1074593926.db2.gz	WZBKPCVZIIXZFY-LJQANCHMSA-N	1	1	413.526	1.197	20	0		HDADMO
CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000674869149	1074596753	/nfs/dbraw/zinc/59/67/53/1074596753.db2.gz	BCEONSJMXAYXMK-QGZVFWFLSA-N	1	1	410.522	1.554	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)CC2)C1	ZINC000674877386	1074599632	/nfs/dbraw/zinc/59/96/32/1074599632.db2.gz	RBDNZWLZIZJHTC-SJORKVTESA-N	1	1	407.509	1.965	20	0		HDADMO
COCCOc1cc(C)ccc1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000674879356	1074600029	/nfs/dbraw/zinc/60/00/29/1074600029.db2.gz	CYGFNNXOMWEPSX-FQEVSTJZSA-N	1	1	404.555	1.942	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1	ZINC000674907090	1074614698	/nfs/dbraw/zinc/61/46/98/1074614698.db2.gz	RGDRXBPWKHRLRG-OTWHNJEPSA-N	1	1	402.495	1.548	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1	ZINC000674907090	1074614703	/nfs/dbraw/zinc/61/47/03/1074614703.db2.gz	RGDRXBPWKHRLRG-OTWHNJEPSA-N	1	1	402.495	1.548	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1	ZINC000674926556	1074624405	/nfs/dbraw/zinc/62/44/05/1074624405.db2.gz	CIPQXSIEUFFWIM-ROUUACIJSA-N	1	1	401.555	1.742	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1	ZINC000674926556	1074624411	/nfs/dbraw/zinc/62/44/11/1074624411.db2.gz	CIPQXSIEUFFWIM-ROUUACIJSA-N	1	1	401.555	1.742	20	0		HDADMO
CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000670487735	1074637351	/nfs/dbraw/zinc/63/73/51/1074637351.db2.gz	CLPGRRJYTQTMBT-IBGZPJMESA-N	1	1	411.550	1.454	20	0		HDADMO
CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000670487735	1074637362	/nfs/dbraw/zinc/63/73/62/1074637362.db2.gz	CLPGRRJYTQTMBT-IBGZPJMESA-N	1	1	411.550	1.454	20	0		HDADMO
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1	ZINC000674981015	1074657670	/nfs/dbraw/zinc/65/76/70/1074657670.db2.gz	WRONMHNXRVWMBX-FXAWDEMLSA-N	1	1	412.538	1.803	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1	ZINC000804218891	1074659106	/nfs/dbraw/zinc/65/91/06/1074659106.db2.gz	KEJRKOPZKCREGN-QGZVFWFLSA-N	1	1	403.571	1.684	20	0		HDADMO
CNc1nnc(CC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1	ZINC000546790594	1074670132	/nfs/dbraw/zinc/67/01/32/1074670132.db2.gz	FBJUXPZHPZWOCZ-UHFFFAOYSA-N	1	1	419.551	1.928	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)CCN2C1=O	ZINC000675083925	1074699581	/nfs/dbraw/zinc/69/95/81/1074699581.db2.gz	DMJIGJXACQTTQS-HOTGVXAUSA-N	1	1	407.902	1.621	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)s1	ZINC000569892688	1074703431	/nfs/dbraw/zinc/70/34/31/1074703431.db2.gz	SZEYRPCBYDVHQP-OAHLLOKOSA-N	1	1	403.508	2.554	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1	ZINC000569892688	1074703440	/nfs/dbraw/zinc/70/34/40/1074703440.db2.gz	SZEYRPCBYDVHQP-OAHLLOKOSA-N	1	1	403.508	2.554	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1	ZINC000488472971	1074703917	/nfs/dbraw/zinc/70/39/17/1074703917.db2.gz	VSSHPJGKAFLAIR-CYBMUJFWSA-N	1	1	411.528	1.751	20	0		HDADMO
CC(C)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1	ZINC001005542619	1074709842	/nfs/dbraw/zinc/70/98/42/1074709842.db2.gz	ULXQWJCIGPRTGH-RXABAKJHSA-N	1	1	403.527	1.120	20	0		HDADMO
CC(C)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1	ZINC001005542619	1074709850	/nfs/dbraw/zinc/70/98/50/1074709850.db2.gz	ULXQWJCIGPRTGH-RXABAKJHSA-N	1	1	403.527	1.120	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)Nc1ccn(-c2ccccc2)n1	ZINC000498636656	1074712069	/nfs/dbraw/zinc/71/20/69/1074712069.db2.gz	DZGPUPRWBAUYMB-UHFFFAOYSA-N	1	1	411.506	1.962	20	0		HDADMO
CC(C)n1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000507785409	1074714620	/nfs/dbraw/zinc/71/46/20/1074714620.db2.gz	VXNUSFOWTPWUPM-HXUWFJFHSA-N	1	1	424.549	1.821	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nn1[C@H](C)C1CC1	ZINC000544203231	1074715638	/nfs/dbraw/zinc/71/56/38/1074715638.db2.gz	HYKBCKKOHLYBET-IEBWSBKVSA-N	1	1	416.570	1.730	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1	ZINC000675101829	1074718230	/nfs/dbraw/zinc/71/82/30/1074718230.db2.gz	APXAGMSDHTZARH-HZPDHXFCSA-N	1	1	406.962	1.781	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1	ZINC000675101829	1074718243	/nfs/dbraw/zinc/71/82/43/1074718243.db2.gz	APXAGMSDHTZARH-HZPDHXFCSA-N	1	1	406.962	1.781	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(C(F)(F)F)nn1	ZINC000483872335	1074725802	/nfs/dbraw/zinc/72/58/02/1074725802.db2.gz	WYOVMPBGTGMRTK-UHFFFAOYSA-N	1	1	410.404	1.619	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccn(CCN2CCOCC2)n1	ZINC000438318834	1074726094	/nfs/dbraw/zinc/72/60/94/1074726094.db2.gz	DXWVXJOGVNIISL-UHFFFAOYSA-N	1	1	412.538	1.785	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CNC(=O)c1sc2ccccc2c1Cl	ZINC000675113188	1074726137	/nfs/dbraw/zinc/72/61/37/1074726137.db2.gz	QGLWYPVAKSQURQ-UHFFFAOYSA-N	1	1	422.938	1.517	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675134254	1074727717	/nfs/dbraw/zinc/72/77/17/1074727717.db2.gz	DYTXDFINRSKKDB-ZWKOTPCHSA-N	1	1	410.522	1.728	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)nn1-c1ccc(F)cc1F	ZINC000518433460	1074728958	/nfs/dbraw/zinc/72/89/58/1074728958.db2.gz	OBCVQHCYKCEIOR-DYVFJYSZSA-N	1	1	403.433	1.950	20	0		HDADMO
O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccn(CCc2ccncc2)n1	ZINC000468471236	1074741704	/nfs/dbraw/zinc/74/17/04/1074741704.db2.gz	UGRPSAXZPOCVHP-UHFFFAOYSA-N	1	1	418.501	1.634	20	0		HDADMO
O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccn(CCc2ccncc2)n1	ZINC000468471236	1074741714	/nfs/dbraw/zinc/74/17/14/1074741714.db2.gz	UGRPSAXZPOCVHP-UHFFFAOYSA-N	1	1	418.501	1.634	20	0		HDADMO
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675189834	1074752278	/nfs/dbraw/zinc/75/22/78/1074752278.db2.gz	DCECIUAHWLMGNH-WBVHZDCISA-N	1	1	408.493	2.000	20	0		HDADMO
C[C@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C[NH+]1CCOCC1	ZINC000670496264	1074753697	/nfs/dbraw/zinc/75/36/97/1074753697.db2.gz	KDUJCVMDRAAUOF-CYBMUJFWSA-N	1	1	402.322	1.737	20	0		HDADMO
Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)CC2	ZINC000675209110	1074757288	/nfs/dbraw/zinc/75/72/88/1074757288.db2.gz	OGOUAYUKZIAGQE-ZDUSSCGKSA-N	1	1	413.444	1.141	20	0		HDADMO
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000675219577	1074762438	/nfs/dbraw/zinc/76/24/38/1074762438.db2.gz	ZCYXKQJAHJBDQV-ONUXSRJRSA-N	1	1	404.555	1.578	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC[N@@H+](Cc2ccccc2)C1	ZINC001128961221	1074766947	/nfs/dbraw/zinc/76/69/47/1074766947.db2.gz	REXWDRWPEQLIQQ-NNWRFLSQSA-N	1	1	401.551	1.847	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000581922612	1074784135	/nfs/dbraw/zinc/78/41/35/1074784135.db2.gz	KIWGWKKFFFGVOF-IBGZPJMESA-N	1	1	410.522	2.178	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1)[NH+]1CCOCC1	ZINC000468448883	1074784202	/nfs/dbraw/zinc/78/42/02/1074784202.db2.gz	KDJCCGLCCMZARH-GOSISDBHSA-N	1	1	405.543	1.972	20	0		HDADMO
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000675280087	1074784368	/nfs/dbraw/zinc/78/43/68/1074784368.db2.gz	CSAZVWPVQVOMRC-IBGZPJMESA-N	1	1	421.563	1.337	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCOCC1	ZINC000448534897	1074786229	/nfs/dbraw/zinc/78/62/29/1074786229.db2.gz	MTEJNIYQARBKOT-AWEZNQCLSA-N	1	1	419.448	1.637	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[NH+]1CCOCC1	ZINC000433664781	1074786297	/nfs/dbraw/zinc/78/62/97/1074786297.db2.gz	QEYFHTLRDDVWCW-SFHVURJKSA-N	1	1	401.515	2.136	20	0		HDADMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1	ZINC000675306990	1074795344	/nfs/dbraw/zinc/79/53/44/1074795344.db2.gz	DENOHTBDUUCUAJ-MAUKXSAKSA-N	1	1	420.941	1.798	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675326775	1074807915	/nfs/dbraw/zinc/80/79/15/1074807915.db2.gz	ZXKICLDEIXIXQK-CSMYWGQOSA-N	1	1	404.898	1.160	20	0		HDADMO
CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N3CCOC[C@H]3C3CC3)cc2F)CC1	ZINC000766105080	1074809280	/nfs/dbraw/zinc/80/92/80/1074809280.db2.gz	RHNOXEGUSUDGBD-FQEVSTJZSA-N	1	1	419.497	1.762	20	0		HDADMO
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ncn(Cc2ccccc2)n1	ZINC000588253903	1074811438	/nfs/dbraw/zinc/81/14/38/1074811438.db2.gz	UQIAMAHDKHUUMX-UHFFFAOYSA-N	1	1	406.490	2.480	20	0		HDADMO
CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC	ZINC000670501964	1074816444	/nfs/dbraw/zinc/81/64/44/1074816444.db2.gz	CCJLRNPMXBTOJH-ZWKOTPCHSA-N	1	1	403.523	1.886	20	0		HDADMO
CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC	ZINC000670501962	1074816617	/nfs/dbraw/zinc/81/66/17/1074816617.db2.gz	CCJLRNPMXBTOJH-QZTJIDSGSA-N	1	1	403.523	1.886	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)CC1	ZINC000670506004	1075092380	/nfs/dbraw/zinc/09/23/80/1075092380.db2.gz	YHLOFSKZXWOTNF-UHFFFAOYSA-N	1	1	414.472	1.856	20	0		HDADMO
Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)no1	ZINC000533504330	1075095795	/nfs/dbraw/zinc/09/57/95/1075095795.db2.gz	ARYJXXAHWNKHLD-OAHLLOKOSA-N	1	1	410.471	1.894	20	0		HDADMO
Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)no1	ZINC000533504330	1075095803	/nfs/dbraw/zinc/09/58/03/1075095803.db2.gz	ARYJXXAHWNKHLD-OAHLLOKOSA-N	1	1	410.471	1.894	20	0		HDADMO
COC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)nn1	ZINC000619627660	1075097182	/nfs/dbraw/zinc/09/71/82/1075097182.db2.gz	DPOYFVGHNPNWHC-AWEZNQCLSA-N	1	1	415.450	1.676	20	0		HDADMO
COC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)nn1	ZINC000619627660	1075097184	/nfs/dbraw/zinc/09/71/84/1075097184.db2.gz	DPOYFVGHNPNWHC-AWEZNQCLSA-N	1	1	415.450	1.676	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)C1	ZINC000670513592	1075116635	/nfs/dbraw/zinc/11/66/35/1075116635.db2.gz	WFJXPMYUJLYYQQ-KRWDZBQOSA-N	1	1	415.456	1.837	20	0		HDADMO
O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000675379839	1075118767	/nfs/dbraw/zinc/11/87/67/1075118767.db2.gz	QYNRHHAUYUTYDW-SUMWQHHRSA-N	1	1	422.888	1.301	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CCCC1	ZINC000675389618	1075122094	/nfs/dbraw/zinc/12/20/94/1075122094.db2.gz	XRLWRUOIXQKSRA-KRWDZBQOSA-N	1	1	424.904	1.691	20	0		HDADMO
O=C(NCCc1ccc(Cl)nc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000785479064	1075135548	/nfs/dbraw/zinc/13/55/48/1075135548.db2.gz	FVQFPRASUALGOD-UHFFFAOYSA-N	1	1	416.909	1.542	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC3(CC2)OCc2ccccc23)C1	ZINC000675424742	1075140116	/nfs/dbraw/zinc/14/01/16/1075140116.db2.gz	YVEXSBBFNMQFPF-KRWDZBQOSA-N	1	1	400.523	1.805	20	0		HDADMO
C[C@@H]1C[NH+](CCOC2CCN(Cc3nnnn3CC(F)(F)F)CC2)C[C@@H](C)O1	ZINC000429347191	1075142726	/nfs/dbraw/zinc/14/27/26/1075142726.db2.gz	VVEFVUJNQOXESE-ZIAGYGMSSA-N	1	1	406.453	1.326	20	0		HDADMO
C[C@H]1C[NH+](CCOC2CCN(Cc3nnnn3CC(F)(F)F)CC2)C[C@H](C)O1	ZINC000429347189	1075142765	/nfs/dbraw/zinc/14/27/65/1075142765.db2.gz	VVEFVUJNQOXESE-KBPBESRZSA-N	1	1	406.453	1.326	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000444518848	1075143250	/nfs/dbraw/zinc/14/32/50/1075143250.db2.gz	FDZREZCMITXMIY-IBGZPJMESA-N	1	1	413.522	1.981	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCOC[C@@H]1c1ccco1	ZINC000670527045	1075150764	/nfs/dbraw/zinc/15/07/64/1075150764.db2.gz	OTYWLJPPIJGGIZ-QGZVFWFLSA-N	1	1	405.495	1.331	20	0		HDADMO
CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1	ZINC000546790253	1075162398	/nfs/dbraw/zinc/16/23/98/1075162398.db2.gz	WPKGMRSZNYKIBF-UHFFFAOYSA-N	1	1	410.434	1.280	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000016202650	1075163978	/nfs/dbraw/zinc/16/39/78/1075163978.db2.gz	DWJQTGNYQXCEQI-UHFFFAOYSA-N	1	1	401.532	1.736	20	0		HDADMO
COCCN(C)c1ccc(CNc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)cn1	ZINC000432752108	1075165866	/nfs/dbraw/zinc/16/58/66/1075165866.db2.gz	IMUSRHPKHUFHRH-UHFFFAOYSA-N	1	1	411.510	2.437	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1	ZINC000144233062	1075166243	/nfs/dbraw/zinc/16/62/43/1075166243.db2.gz	GNSZJENGDAMOFK-IRXDYDNUSA-N	1	1	404.511	1.815	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1	ZINC000144232875	1075166247	/nfs/dbraw/zinc/16/62/47/1075166247.db2.gz	GNSZJENGDAMOFK-DLBZAZTESA-N	1	1	404.511	1.815	20	0		HDADMO
CCS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1	ZINC000675471532	1075168013	/nfs/dbraw/zinc/16/80/13/1075168013.db2.gz	IMJOIABHPODWJE-OAHLLOKOSA-N	1	1	424.544	1.998	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2ccnn2)C[N@H+]1Cc1ccccc1	ZINC000466681948	1075169594	/nfs/dbraw/zinc/16/95/94/1075169594.db2.gz	VGZTZVDZLPMRMU-WMZOPIPTSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)c2)CCO1	ZINC000675481114	1075171279	/nfs/dbraw/zinc/17/12/79/1075171279.db2.gz	QOEVCMVNHSEGMV-INIZCTEOSA-N	1	1	409.552	1.626	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)c2)CCO1	ZINC000675481114	1075171280	/nfs/dbraw/zinc/17/12/80/1075171280.db2.gz	QOEVCMVNHSEGMV-INIZCTEOSA-N	1	1	409.552	1.626	20	0		HDADMO
CC[C@H](NC(=O)c1ccc(=O)n(CCOC)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675501080	1075179304	/nfs/dbraw/zinc/17/93/04/1075179304.db2.gz	WHLMMZQKSTTWEC-SFTDATJTSA-N	1	1	413.518	1.904	20	0		HDADMO
CC[C@H](NC(=O)c1ccc(=O)n(CCOC)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675501080	1075179310	/nfs/dbraw/zinc/17/93/10/1075179310.db2.gz	WHLMMZQKSTTWEC-SFTDATJTSA-N	1	1	413.518	1.904	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1OCC	ZINC000675518974	1075184825	/nfs/dbraw/zinc/18/48/25/1075184825.db2.gz	LORVVVDXDVLQPF-UHFFFAOYSA-N	1	1	420.510	1.045	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1	ZINC000675518973	1075184856	/nfs/dbraw/zinc/18/48/56/1075184856.db2.gz	LNVSTOZHUBRGAZ-UHFFFAOYSA-N	1	1	418.538	1.563	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(S(C)(=O)=O)CC2)CC1	ZINC000675504174	1075186279	/nfs/dbraw/zinc/18/62/79/1075186279.db2.gz	ZVWAJQTYCUPZNA-UHFFFAOYSA-N	1	1	407.580	1.538	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)NCCOc2ccc(C(F)(F)F)cn2)CC1	ZINC000675531315	1075192170	/nfs/dbraw/zinc/19/21/70/1075192170.db2.gz	VXXIBYCNTZYAFE-UHFFFAOYSA-N	1	1	403.449	1.804	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675557887	1075202372	/nfs/dbraw/zinc/20/23/72/1075202372.db2.gz	ADLABKQXDLJRIK-GOSISDBHSA-N	1	1	407.559	1.067	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[N@@H+]1CCc2ccccc2C1	ZINC000675587181	1075216356	/nfs/dbraw/zinc/21/63/56/1075216356.db2.gz	XOXDACXJEMIOGL-JXFKEZNVSA-N	1	1	411.506	1.564	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[N@H+]1CCc2ccccc2C1	ZINC000675587181	1075216361	/nfs/dbraw/zinc/21/63/61/1075216361.db2.gz	XOXDACXJEMIOGL-JXFKEZNVSA-N	1	1	411.506	1.564	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@]3(CCO)CCOC3)cc2)CC1	ZINC000675566815	1075217544	/nfs/dbraw/zinc/21/75/44/1075217544.db2.gz	AQXHOFALYMOKHS-NRFANRHFSA-N	1	1	404.511	1.375	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)no1	ZINC000497380496	1075220804	/nfs/dbraw/zinc/22/08/04/1075220804.db2.gz	CCNSSZZZRKPPRC-GJZGRUSLSA-N	1	1	410.540	1.755	20	0		HDADMO
CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675606089	1075222771	/nfs/dbraw/zinc/22/27/71/1075222771.db2.gz	VACWVDOOIMCINU-FYYLOGMGSA-N	1	1	414.594	1.811	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)no1	ZINC000557023542	1075226271	/nfs/dbraw/zinc/22/62/71/1075226271.db2.gz	RQPIPSYHGGKDLZ-YOEHRIQHSA-N	1	1	418.519	2.249	20	0		HDADMO
COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1	ZINC000470194100	1075231725	/nfs/dbraw/zinc/23/17/25/1075231725.db2.gz	NEJCUCFJSONICY-MRXNPFEDSA-N	1	1	403.504	1.846	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1	ZINC000509356272	1075233554	/nfs/dbraw/zinc/23/35/54/1075233554.db2.gz	HGJGXVJOXBMZTQ-AEFFLSMTSA-N	1	1	405.543	1.657	20	0		HDADMO
O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000675598447	1075235277	/nfs/dbraw/zinc/23/52/77/1075235277.db2.gz	UYBLSBRZEDUXFH-UYAOXDASSA-N	1	1	411.506	1.231	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)Cc1ccc(F)cc1	ZINC000675599003	1075236542	/nfs/dbraw/zinc/23/65/42/1075236542.db2.gz	RBGMZAVXTRGBGP-SFHVURJKSA-N	1	1	403.458	1.388	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000804220255	1075240173	/nfs/dbraw/zinc/24/01/73/1075240173.db2.gz	SCXDKYGIGUBGCY-IERDGZPVSA-N	1	1	412.575	1.986	20	0		HDADMO
CCCN(CCC[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1	ZINC000470665598	1075240780	/nfs/dbraw/zinc/24/07/80/1075240780.db2.gz	CUHGRZMKFYCWMT-UHFFFAOYSA-N	1	1	401.529	1.879	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N(CCCO)C3CC3)c2)CC1	ZINC000675624830	1075242963	/nfs/dbraw/zinc/24/29/63/1075242963.db2.gz	UNBBSZUCRSZYAU-UHFFFAOYSA-N	1	1	410.540	1.392	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N(CCCO)C3CC3)c2)CC1	ZINC000675624830	1075242970	/nfs/dbraw/zinc/24/29/70/1075242970.db2.gz	UNBBSZUCRSZYAU-UHFFFAOYSA-N	1	1	410.540	1.392	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1	ZINC000472969329	1075245386	/nfs/dbraw/zinc/24/53/86/1075245386.db2.gz	YBWPNZKBDBQOOI-YTQUADARSA-N	1	1	411.506	1.619	20	0		HDADMO
COc1cc(OC)cc(OCCNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000675650364	1075247287	/nfs/dbraw/zinc/24/72/87/1075247287.db2.gz	BAKZUOUQEXNLMO-INIZCTEOSA-N	1	1	406.527	1.550	20	0		HDADMO
COc1cc(OC)cc(OCCNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000675650364	1075247293	/nfs/dbraw/zinc/24/72/93/1075247293.db2.gz	BAKZUOUQEXNLMO-INIZCTEOSA-N	1	1	406.527	1.550	20	0		HDADMO
COCCn1c(N)c(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)c(=O)[nH]c1=O	ZINC000675663585	1075251444	/nfs/dbraw/zinc/25/14/44/1075251444.db2.gz	BMIUFNWXASHTJB-SFHVURJKSA-N	1	1	400.479	1.616	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000675665646	1075251980	/nfs/dbraw/zinc/25/19/80/1075251980.db2.gz	MWTPVWGXLFUHFX-FXAWDEMLSA-N	1	1	406.571	1.617	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000675666941	1075252193	/nfs/dbraw/zinc/25/21/93/1075252193.db2.gz	UZHJYMKJODDINZ-IBGZPJMESA-N	1	1	402.520	1.661	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000675666941	1075252200	/nfs/dbraw/zinc/25/22/00/1075252200.db2.gz	UZHJYMKJODDINZ-IBGZPJMESA-N	1	1	402.520	1.661	20	0		HDADMO
COc1cc(Br)c(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1OC	ZINC000429372159	1075255095	/nfs/dbraw/zinc/25/50/95/1075255095.db2.gz	LTPFBAAADISJQX-NSHDSACASA-N	1	1	402.289	1.997	20	0		HDADMO
COc1cc(Br)c(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1OC	ZINC000429372159	1075255101	/nfs/dbraw/zinc/25/51/01/1075255101.db2.gz	LTPFBAAADISJQX-NSHDSACASA-N	1	1	402.289	1.997	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)cc2)CC1	ZINC000675703099	1075257240	/nfs/dbraw/zinc/25/72/40/1075257240.db2.gz	FYOZMPPNPCQNJR-KRWDZBQOSA-N	1	1	422.476	1.636	20	0		HDADMO
CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1nc(N2CCOCC2)cc[nH+]1	ZINC000675720566	1075258317	/nfs/dbraw/zinc/25/83/17/1075258317.db2.gz	CBZWEVZJUNXEPO-UHFFFAOYSA-N	1	1	406.508	1.622	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1c2c(nn1C)CCCC2	ZINC000675770132	1075268788	/nfs/dbraw/zinc/26/87/88/1075268788.db2.gz	VZHDFMXOAPXFAZ-UHFFFAOYSA-N	1	1	411.506	1.947	20	0		HDADMO
O=S(=O)(C1CCOCC1)N1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1	ZINC000544676739	1075274797	/nfs/dbraw/zinc/27/47/97/1075274797.db2.gz	GGBWWTMWAJYNCR-UHFFFAOYSA-N	1	1	409.556	1.852	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)Cc3cccc(O)c3)n2)c1C	ZINC000571242016	1075277574	/nfs/dbraw/zinc/27/75/74/1075277574.db2.gz	GYRHOHDNEXJNOV-UHFFFAOYSA-N	1	1	424.461	1.650	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)Cc3occc3C)n2)c1C	ZINC000551278435	1075277586	/nfs/dbraw/zinc/27/75/86/1075277586.db2.gz	XTVCNUCLBVLGQK-UHFFFAOYSA-N	1	1	412.450	1.845	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)n2)c1C	ZINC000434791901	1075277599	/nfs/dbraw/zinc/27/75/99/1075277599.db2.gz	CEEJEWKRCITYLL-CZUORRHYSA-N	1	1	414.510	2.322	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466698424	1075279262	/nfs/dbraw/zinc/27/92/62/1075279262.db2.gz	XLPBVSNCJYDOHF-VQIMIIECSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466698421	1075279402	/nfs/dbraw/zinc/27/94/02/1075279402.db2.gz	XLPBVSNCJYDOHF-APWZRJJASA-N	1	1	404.474	1.985	20	0		HDADMO
CC(=O)NC1CCN(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000675844153	1075281853	/nfs/dbraw/zinc/28/18/53/1075281853.db2.gz	SEKKBKKWRZVCNF-UHFFFAOYSA-N	1	1	407.946	1.772	20	0		HDADMO
CC[C@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC[N@H+]1C[C@@H](C)O	ZINC000543651511	1075284189	/nfs/dbraw/zinc/28/41/89/1075284189.db2.gz	IPVDKTYZGDNRJA-CVEARBPZSA-N	1	1	404.511	1.531	20	0		HDADMO
COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429382045	1075286589	/nfs/dbraw/zinc/28/65/89/1075286589.db2.gz	IMAQEIIRRNVGPQ-AWEZNQCLSA-N	1	1	410.540	1.087	20	0		HDADMO
CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](n2ccnn2)C1	ZINC001129122900	1075290737	/nfs/dbraw/zinc/29/07/37/1075290737.db2.gz	XFIZDCREQVVYKM-LWMJJDPFSA-N	1	1	403.527	1.418	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CC[N@@H+](CCCN3CCCC3=O)C2)CC1	ZINC001035208126	1075293525	/nfs/dbraw/zinc/29/35/25/1075293525.db2.gz	OTDRPLFVKWJAHI-IYWGDAJJSA-N	1	1	401.551	1.737	20	0		HDADMO
O=C(N[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@@H]1n1ccnn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001129118218	1075293925	/nfs/dbraw/zinc/29/39/25/1075293925.db2.gz	HUOPFKOIRDLKBM-KDNLLOOPSA-N	1	1	413.444	1.776	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)NCCCCN1CC[NH+](C)CC1	ZINC000543652145	1075296751	/nfs/dbraw/zinc/29/67/51/1075296751.db2.gz	MCOKCUVVQBDAFP-UHFFFAOYSA-N	1	1	403.527	1.371	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466706636	1075297939	/nfs/dbraw/zinc/29/79/39/1075297939.db2.gz	QSQJZEHPGZPSIL-RHSMWYFYSA-N	1	1	408.458	1.849	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)C(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)cc21	ZINC000675939195	1075301033	/nfs/dbraw/zinc/30/10/33/1075301033.db2.gz	WYEKNTPSOQZKPX-UHFFFAOYSA-N	1	1	422.489	1.673	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)[nH+]c1	ZINC000443516942	1075301825	/nfs/dbraw/zinc/30/18/25/1075301825.db2.gz	CRSULIXWMYLURT-HNNXBMFYSA-N	1	1	405.524	2.242	20	0		HDADMO
COc1cc(C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)ccc1OCC(N)=O	ZINC000731299189	1075302134	/nfs/dbraw/zinc/30/21/34/1075302134.db2.gz	KVSINHNRKVFYKE-INIZCTEOSA-N	1	1	414.462	1.792	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CN3C(=O)NC4(CCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731295212	1075305641	/nfs/dbraw/zinc/30/56/41/1075305641.db2.gz	QVSDYQXUSKEXEE-OAHLLOKOSA-N	1	1	401.467	1.470	20	0		HDADMO
CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1	ZINC000731296788	1075306106	/nfs/dbraw/zinc/30/61/06/1075306106.db2.gz	NERSHSVWQYIGKC-IAGOWNOFSA-N	1	1	410.540	1.667	20	0		HDADMO
OC[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccc(Br)cc1	ZINC000428650299	1075307275	/nfs/dbraw/zinc/30/72/75/1075307275.db2.gz	IFQKSOBLDHIEHQ-HNNXBMFYSA-N	1	1	407.312	2.339	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000441690841	1075315052	/nfs/dbraw/zinc/31/50/52/1075315052.db2.gz	RESILJRSKRJGET-CYBMUJFWSA-N	1	1	424.461	1.907	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)CC1	ZINC000675988746	1075315290	/nfs/dbraw/zinc/31/52/90/1075315290.db2.gz	DKTUNCXOKVCGHM-FQEVSTJZSA-N	1	1	403.546	1.821	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)CC1	ZINC000675988746	1075315294	/nfs/dbraw/zinc/31/52/94/1075315294.db2.gz	DKTUNCXOKVCGHM-FQEVSTJZSA-N	1	1	403.546	1.821	20	0		HDADMO
COc1cccc2c1OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000675976000	1075317790	/nfs/dbraw/zinc/31/77/90/1075317790.db2.gz	CNSBWOQMTUMQAL-IRXDYDNUSA-N	1	1	402.495	1.467	20	0		HDADMO
COc1ccccc1OCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000675978542	1075317874	/nfs/dbraw/zinc/31/78/74/1075317874.db2.gz	JDQGZPJEBNFXGV-QGZVFWFLSA-N	1	1	404.511	1.412	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)CC1	ZINC000731356114	1075318478	/nfs/dbraw/zinc/31/84/78/1075318478.db2.gz	OMMOSHUGPNVDHT-UHFFFAOYSA-N	1	1	406.600	1.974	20	0		HDADMO
CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000429386747	1075318872	/nfs/dbraw/zinc/31/88/72/1075318872.db2.gz	NJTRUGFZIYLWTE-RTBURBONSA-N	1	1	419.957	1.867	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)CC1	ZINC000731355950	1075318891	/nfs/dbraw/zinc/31/88/91/1075318891.db2.gz	KPHWVXCVRJGAEC-UHFFFAOYSA-N	1	1	405.543	1.075	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3nnn(-c4ccccc4)c3=S)CC2)CC1	ZINC000731355633	1075319261	/nfs/dbraw/zinc/31/92/61/1075319261.db2.gz	DCKPSLZLBQRPAJ-UHFFFAOYSA-N	1	1	415.567	1.632	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1	ZINC000544258039	1075319816	/nfs/dbraw/zinc/31/98/16/1075319816.db2.gz	RMVKYOFRRGVHBG-UHFFFAOYSA-N	1	1	406.531	1.669	20	0		HDADMO
CC(C)n1c(N(C)C)nn(CN2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1=S	ZINC000731356612	1075319859	/nfs/dbraw/zinc/31/98/59/1075319859.db2.gz	XYTLNKPNKWIGFT-UHFFFAOYSA-N	1	1	423.631	1.895	20	0		HDADMO
Cn1ccnc1C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000675996169	1075320159	/nfs/dbraw/zinc/32/01/59/1075320159.db2.gz	GRKQKMVLJZVGKW-UXHICEINSA-N	1	1	424.549	1.652	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@]1(O)CCCc2ccccc21	ZINC000731359723	1075320669	/nfs/dbraw/zinc/32/06/69/1075320669.db2.gz	ZEQGKOBTIHXNJL-QHCPKHFHSA-N	1	1	424.549	1.512	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000544256993	1075321101	/nfs/dbraw/zinc/32/11/01/1075321101.db2.gz	DICVJQHIEGAXGT-UHFFFAOYSA-N	1	1	401.467	1.751	20	0		HDADMO
CO[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1Cl	ZINC000676004187	1075322349	/nfs/dbraw/zinc/32/23/49/1075322349.db2.gz	RMAZOKXARBQCKD-ROUUACIJSA-N	1	1	408.930	1.976	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1	ZINC000731401004	1075330103	/nfs/dbraw/zinc/33/01/03/1075330103.db2.gz	IUJLQAOWHSFRMX-OKZBNKHCSA-N	1	1	423.535	1.624	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)N2CCCC2)cc1	ZINC000532997330	1075334733	/nfs/dbraw/zinc/33/47/33/1075334733.db2.gz	WCBXDMNTCRQQDR-IBGZPJMESA-N	1	1	412.538	1.645	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1	ZINC000676044600	1075339401	/nfs/dbraw/zinc/33/94/01/1075339401.db2.gz	DHWJQAVWUNHRBI-NRFANRHFSA-N	1	1	415.534	1.937	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000466710153	1075342172	/nfs/dbraw/zinc/34/21/72/1075342172.db2.gz	KDBWWXYDUFYNAB-ZBFHGGJFSA-N	1	1	405.520	1.974	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000466710153	1075342175	/nfs/dbraw/zinc/34/21/75/1075342175.db2.gz	KDBWWXYDUFYNAB-ZBFHGGJFSA-N	1	1	405.520	1.974	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)cn1	ZINC000731447362	1075344148	/nfs/dbraw/zinc/34/41/48/1075344148.db2.gz	LCAFXJORTFVNGT-UHFFFAOYSA-N	1	1	421.504	1.239	20	0		HDADMO
C[C@H](NC(=O)CNC(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccc(F)cc1	ZINC000429394820	1075349057	/nfs/dbraw/zinc/34/90/57/1075349057.db2.gz	PLDBIYUEZVLMGG-SJORKVTESA-N	1	1	404.530	1.925	20	0		HDADMO
CS[C@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000804083720	1075353932	/nfs/dbraw/zinc/35/39/32/1075353932.db2.gz	FABGUMBTQBISND-AEFFLSMTSA-N	1	1	405.568	1.110	20	0		HDADMO
Cc1c(C(=O)N2CCCC[C@@H]2C2OCCO2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731460765	1075356037	/nfs/dbraw/zinc/35/60/37/1075356037.db2.gz	BACBIVJQUBUELM-LJQANCHMSA-N	1	1	411.506	1.931	20	0		HDADMO
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000676097040	1075360783	/nfs/dbraw/zinc/36/07/83/1075360783.db2.gz	LYRKBFHWKIWXIG-GOSISDBHSA-N	1	1	412.538	1.506	20	0		HDADMO
NC(=O)c1ccc(N2CC[NH+](CCCN3CCN(c4ccccc4)CC3)CC2)nc1	ZINC000509383054	1075370551	/nfs/dbraw/zinc/37/05/51/1075370551.db2.gz	CRFVCNOZTQOFRT-UHFFFAOYSA-N	1	1	408.550	1.515	20	0		HDADMO
O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676088483	1075371473	/nfs/dbraw/zinc/37/14/73/1075371473.db2.gz	AKTGCIOKTAZMOU-UHFFFAOYSA-N	1	1	414.535	1.684	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731531643	1075377630	/nfs/dbraw/zinc/37/76/30/1075377630.db2.gz	FPYVDHVUCWKWRA-HOTGVXAUSA-N	1	1	404.467	1.463	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)C1	ZINC000804088921	1075379142	/nfs/dbraw/zinc/37/91/42/1075379142.db2.gz	FIXWELGRJAZWQU-CABCVRRESA-N	1	1	414.572	1.104	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804090794	1075387053	/nfs/dbraw/zinc/38/70/53/1075387053.db2.gz	LFSYHKFVMFTMKS-YESZJQIVSA-N	1	1	410.559	1.739	20	0		HDADMO
CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[N@@H+](C[C@H]3CCCO3)CC1)C2=O	ZINC000676113487	1075387078	/nfs/dbraw/zinc/38/70/78/1075387078.db2.gz	SFTJFGWEROMSIA-VGSWGCGISA-N	1	1	420.554	1.591	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)CN1CC[NH+](C)CC1	ZINC000429400871	1075390319	/nfs/dbraw/zinc/39/03/19/1075390319.db2.gz	LJHRJVGJIOQZEW-KRWDZBQOSA-N	1	1	411.506	1.812	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804092385	1075391576	/nfs/dbraw/zinc/39/15/76/1075391576.db2.gz	JWTORBYBXJHKDA-NCOADZHNSA-N	1	1	410.559	1.737	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000804093765	1075393277	/nfs/dbraw/zinc/39/32/77/1075393277.db2.gz	POEGQTHADIKTLL-SJORKVTESA-N	1	1	410.559	1.881	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000731607294	1075397951	/nfs/dbraw/zinc/39/79/51/1075397951.db2.gz	SMJVCBHCBCFLOC-UHFFFAOYSA-N	1	1	415.465	1.964	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1	ZINC000676147487	1075398483	/nfs/dbraw/zinc/39/84/83/1075398483.db2.gz	HLZYGIDFROQEPA-OPAMFIHVSA-N	1	1	419.570	1.162	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1	ZINC000676147487	1075398491	/nfs/dbraw/zinc/39/84/91/1075398491.db2.gz	HLZYGIDFROQEPA-OPAMFIHVSA-N	1	1	419.570	1.162	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)n2)cc1	ZINC000444903705	1075408653	/nfs/dbraw/zinc/40/86/53/1075408653.db2.gz	OJFRAIZBJQSUFX-MRXNPFEDSA-N	1	1	401.511	2.249	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)n2)cc1	ZINC000444909228	1075408715	/nfs/dbraw/zinc/40/87/15/1075408715.db2.gz	YHBWMJIXJASJPD-INIZCTEOSA-N	1	1	401.511	2.249	20	0		HDADMO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000731624251	1075418251	/nfs/dbraw/zinc/41/82/51/1075418251.db2.gz	FHFDYDXWHNTHNS-LJQANCHMSA-N	1	1	415.513	1.860	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000731624251	1075418255	/nfs/dbraw/zinc/41/82/55/1075418255.db2.gz	FHFDYDXWHNTHNS-LJQANCHMSA-N	1	1	415.513	1.860	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nn1	ZINC000574409078	1075420243	/nfs/dbraw/zinc/42/02/43/1075420243.db2.gz	BXOLUHQBULZHRZ-UHFFFAOYSA-N	1	1	409.490	1.938	20	0		HDADMO
CCCc1ccc(N2C[C@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1	ZINC000731655475	1075438575	/nfs/dbraw/zinc/43/85/75/1075438575.db2.gz	ODNWCTNZJSHOIZ-GOSISDBHSA-N	1	1	414.550	1.661	20	0		HDADMO
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000731655005	1075439474	/nfs/dbraw/zinc/43/94/74/1075439474.db2.gz	AZRBRIZLHRDKPO-FQEVSTJZSA-N	1	1	418.538	1.606	20	0		HDADMO
C[C@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1	ZINC000676243052	1075444245	/nfs/dbraw/zinc/44/42/45/1075444245.db2.gz	GVVAWQQKJJTSNI-UNMCSNQZSA-N	1	1	417.598	1.603	20	0		HDADMO
C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1C[N@H+](C)CCO1	ZINC000676244071	1075445232	/nfs/dbraw/zinc/44/52/32/1075445232.db2.gz	NOVDFMVKUWQQGJ-HOCLYGCPSA-N	1	1	412.556	1.282	20	0		HDADMO
C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244071	1075445236	/nfs/dbraw/zinc/44/52/36/1075445236.db2.gz	NOVDFMVKUWQQGJ-HOCLYGCPSA-N	1	1	412.556	1.282	20	0		HDADMO
COc1cc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc(Br)c1OC	ZINC000676244139	1075445245	/nfs/dbraw/zinc/44/52/45/1075445245.db2.gz	PVQNZPDCZHBPHI-IAQYHMDHSA-N	1	1	416.316	1.985	20	0		HDADMO
COc1cc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc(Br)c1OC	ZINC000676244139	1075445247	/nfs/dbraw/zinc/44/52/47/1075445247.db2.gz	PVQNZPDCZHBPHI-IAQYHMDHSA-N	1	1	416.316	1.985	20	0		HDADMO
O=C(NCc1cccc2c1OCCCO2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676245581	1075446860	/nfs/dbraw/zinc/44/68/60/1075446860.db2.gz	OJUNDKQREBEFRF-SFHVURJKSA-N	1	1	404.511	1.054	20	0		HDADMO
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000544156968	1075447725	/nfs/dbraw/zinc/44/77/25/1075447725.db2.gz	SGEMSCVAPYFVKU-GOSISDBHSA-N	1	1	405.543	1.988	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1	ZINC000676231072	1075449503	/nfs/dbraw/zinc/44/95/03/1075449503.db2.gz	FCAZDIYCZHIBEV-INIZCTEOSA-N	1	1	403.907	1.723	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1	ZINC000676231072	1075449506	/nfs/dbraw/zinc/44/95/06/1075449506.db2.gz	FCAZDIYCZHIBEV-INIZCTEOSA-N	1	1	403.907	1.723	20	0		HDADMO
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676256776	1075451697	/nfs/dbraw/zinc/45/16/97/1075451697.db2.gz	HQTGXJZKSZJWBW-VQIMIIECSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676256776	1075451698	/nfs/dbraw/zinc/45/16/98/1075451698.db2.gz	HQTGXJZKSZJWBW-VQIMIIECSA-N	1	1	409.552	1.239	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676258935	1075454284	/nfs/dbraw/zinc/45/42/84/1075454284.db2.gz	GRFTVEDLBRJSRH-APWZRJJASA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258935	1075454287	/nfs/dbraw/zinc/45/42/87/1075454287.db2.gz	GRFTVEDLBRJSRH-APWZRJJASA-N	1	1	409.552	1.619	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCc1ccccc1F	ZINC000731671814	1075456381	/nfs/dbraw/zinc/45/63/81/1075456381.db2.gz	UXISNYCOTZHGBS-HNNXBMFYSA-N	1	1	407.511	1.695	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1	ZINC000731672569	1075456890	/nfs/dbraw/zinc/45/68/90/1075456890.db2.gz	WVKJLUQSWZGZCN-QZTJIDSGSA-N	1	1	412.575	1.401	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676259387	1075456913	/nfs/dbraw/zinc/45/69/13/1075456913.db2.gz	LHUJRNZIGCHNIY-RLFYNMQTSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259387	1075456919	/nfs/dbraw/zinc/45/69/19/1075456919.db2.gz	LHUJRNZIGCHNIY-RLFYNMQTSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676260476	1075458790	/nfs/dbraw/zinc/45/87/90/1075458790.db2.gz	KGGLPKVONFICJM-KKSFZXQISA-N	1	1	421.497	1.974	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260476	1075458795	/nfs/dbraw/zinc/45/87/95/1075458795.db2.gz	KGGLPKVONFICJM-KKSFZXQISA-N	1	1	421.497	1.974	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676263764	1075462728	/nfs/dbraw/zinc/46/27/28/1075462728.db2.gz	CCRWTZHTCDOOIZ-WFASDCNBSA-N	1	1	416.519	1.743	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676263764	1075462732	/nfs/dbraw/zinc/46/27/32/1075462732.db2.gz	CCRWTZHTCDOOIZ-WFASDCNBSA-N	1	1	416.519	1.743	20	0		HDADMO
Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1	ZINC000676264680	1075463324	/nfs/dbraw/zinc/46/33/24/1075463324.db2.gz	XLPRQDFFPUPIKH-WMLDXEAASA-N	1	1	410.540	1.585	20	0		HDADMO
Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1	ZINC000676264680	1075463329	/nfs/dbraw/zinc/46/33/29/1075463329.db2.gz	XLPRQDFFPUPIKH-WMLDXEAASA-N	1	1	410.540	1.585	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000676248198	1075464963	/nfs/dbraw/zinc/46/49/63/1075464963.db2.gz	PBWGIYAKLQBVLY-RTBURBONSA-N	1	1	417.554	1.288	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000676248198	1075464970	/nfs/dbraw/zinc/46/49/70/1075464970.db2.gz	PBWGIYAKLQBVLY-RTBURBONSA-N	1	1	417.554	1.288	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000676248579	1075465936	/nfs/dbraw/zinc/46/59/36/1075465936.db2.gz	FRGHXBPAACAVHY-TXPKVOOTSA-N	1	1	403.527	1.632	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000676248579	1075465939	/nfs/dbraw/zinc/46/59/39/1075465939.db2.gz	FRGHXBPAACAVHY-TXPKVOOTSA-N	1	1	403.527	1.632	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(n2cc(Br)cn2)CC1	ZINC000731684194	1075467461	/nfs/dbraw/zinc/46/74/61/1075467461.db2.gz	RGPAVGQMHSRPLJ-JKSUJKDBSA-N	1	1	412.332	1.855	20	0		HDADMO
COc1cccc(OC)c1OC1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676249447	1075467515	/nfs/dbraw/zinc/46/75/15/1075467515.db2.gz	AJQCOPNYHUGPFD-KXBFYZLASA-N	1	1	407.511	1.976	20	0		HDADMO
COc1cccc(OC)c1OC1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676249447	1075467519	/nfs/dbraw/zinc/46/75/19/1075467519.db2.gz	AJQCOPNYHUGPFD-KXBFYZLASA-N	1	1	407.511	1.976	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(n2cc(Br)cn2)CC1	ZINC000731684192	1075467554	/nfs/dbraw/zinc/46/75/54/1075467554.db2.gz	RGPAVGQMHSRPLJ-HOTGVXAUSA-N	1	1	412.332	1.855	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251557	1075469065	/nfs/dbraw/zinc/46/90/65/1075469065.db2.gz	QHYFHYHKGMGDBE-IUODEOHRSA-N	1	1	402.326	1.939	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251557	1075469067	/nfs/dbraw/zinc/46/90/67/1075469067.db2.gz	QHYFHYHKGMGDBE-IUODEOHRSA-N	1	1	402.326	1.939	20	0		HDADMO
CC[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)CC1	ZINC000434584740	1075469235	/nfs/dbraw/zinc/46/92/35/1075469235.db2.gz	KHTCLLJKDYDTMF-MRXNPFEDSA-N	1	1	414.510	2.324	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252247	1075469578	/nfs/dbraw/zinc/46/95/78/1075469578.db2.gz	QSRFOZMOOUPHEN-MAUKXSAKSA-N	1	1	408.568	1.548	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252247	1075469585	/nfs/dbraw/zinc/46/95/85/1075469585.db2.gz	QSRFOZMOOUPHEN-MAUKXSAKSA-N	1	1	408.568	1.548	20	0		HDADMO
Cc1c[nH+]c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000444073569	1075472943	/nfs/dbraw/zinc/47/29/43/1075472943.db2.gz	KJOQJQMHWZMHTC-HUUCEWRRSA-N	1	1	402.543	2.408	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(OCC(F)(F)F)c1	ZINC000676276730	1075475610	/nfs/dbraw/zinc/47/56/10/1075475610.db2.gz	USFGWYMFYFZPSC-MRXNPFEDSA-N	1	1	401.429	1.764	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278175	1075476219	/nfs/dbraw/zinc/47/62/19/1075476219.db2.gz	FLILHPOJEYIEQS-HNAYVOBHSA-N	1	1	411.506	1.660	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278175	1075476224	/nfs/dbraw/zinc/47/62/24/1075476224.db2.gz	FLILHPOJEYIEQS-HNAYVOBHSA-N	1	1	411.506	1.660	20	0		HDADMO
CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676277915	1075476321	/nfs/dbraw/zinc/47/63/21/1075476321.db2.gz	DGIOZOHTWMJEAP-CXAGYDPISA-N	1	1	413.902	1.529	20	0		HDADMO
CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676277915	1075476325	/nfs/dbraw/zinc/47/63/25/1075476325.db2.gz	DGIOZOHTWMJEAP-CXAGYDPISA-N	1	1	413.902	1.529	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1C[N@H+](C)CCO1	ZINC000676277831	1075477443	/nfs/dbraw/zinc/47/74/43/1075477443.db2.gz	CJEZGBJISYZTDB-MLGOLLRUSA-N	1	1	408.886	1.241	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1C[N@@H+](C)CCO1	ZINC000676277831	1075477449	/nfs/dbraw/zinc/47/74/49/1075477449.db2.gz	CJEZGBJISYZTDB-MLGOLLRUSA-N	1	1	408.886	1.241	20	0		HDADMO
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676277607	1075477546	/nfs/dbraw/zinc/47/75/46/1075477546.db2.gz	AWDRRVVXQAYWRH-CRAIPNDOSA-N	1	1	404.511	1.155	20	0		HDADMO
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676277607	1075477549	/nfs/dbraw/zinc/47/75/49/1075477549.db2.gz	AWDRRVVXQAYWRH-CRAIPNDOSA-N	1	1	404.511	1.155	20	0		HDADMO
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)c2)n1	ZINC000676278947	1075479109	/nfs/dbraw/zinc/47/91/09/1075479109.db2.gz	KVAJCECBDUVCCL-CZUORRHYSA-N	1	1	401.467	1.381	20	0		HDADMO
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c2)n1	ZINC000676278947	1075479114	/nfs/dbraw/zinc/47/91/14/1075479114.db2.gz	KVAJCECBDUVCCL-CZUORRHYSA-N	1	1	401.467	1.381	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278627	1075480423	/nfs/dbraw/zinc/48/04/23/1075480423.db2.gz	JBJUEMBZVXQPNZ-WMLDXEAASA-N	1	1	412.494	1.055	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278627	1075480429	/nfs/dbraw/zinc/48/04/29/1075480429.db2.gz	JBJUEMBZVXQPNZ-WMLDXEAASA-N	1	1	412.494	1.055	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279641	1075483220	/nfs/dbraw/zinc/48/32/20/1075483220.db2.gz	PPENLSASXPOPTE-HIFRSBDPSA-N	1	1	401.492	1.402	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279641	1075483222	/nfs/dbraw/zinc/48/32/22/1075483222.db2.gz	PPENLSASXPOPTE-HIFRSBDPSA-N	1	1	401.492	1.402	20	0		HDADMO
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676279704	1075483246	/nfs/dbraw/zinc/48/32/46/1075483246.db2.gz	QIPWSWRYAHZCAO-PBHICJAKSA-N	1	1	404.511	1.753	20	0		HDADMO
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279704	1075483251	/nfs/dbraw/zinc/48/32/51/1075483251.db2.gz	QIPWSWRYAHZCAO-PBHICJAKSA-N	1	1	404.511	1.753	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280954	1075485036	/nfs/dbraw/zinc/48/50/36/1075485036.db2.gz	LAIQTIFNDKUHNZ-HNAYVOBHSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280954	1075485041	/nfs/dbraw/zinc/48/50/41/1075485041.db2.gz	LAIQTIFNDKUHNZ-HNAYVOBHSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@@H]1C[N@H+](C)CCO1	ZINC000676280726	1075486055	/nfs/dbraw/zinc/48/60/55/1075486055.db2.gz	WARNKDBBNOSJIN-NHYWBVRUSA-N	1	1	402.417	1.545	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280726	1075486057	/nfs/dbraw/zinc/48/60/57/1075486057.db2.gz	WARNKDBBNOSJIN-NHYWBVRUSA-N	1	1	402.417	1.545	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676280495	1075486571	/nfs/dbraw/zinc/48/65/71/1075486571.db2.gz	IVZUPAQMBARETR-SUMWQHHRSA-N	1	1	400.435	1.306	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280495	1075486574	/nfs/dbraw/zinc/48/65/74/1075486574.db2.gz	IVZUPAQMBARETR-SUMWQHHRSA-N	1	1	400.435	1.306	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(OC[C@H]2CCCO2)c1	ZINC000676280354	1075487199	/nfs/dbraw/zinc/48/71/99/1075487199.db2.gz	RYTJZWNZNVSCIK-MDZRGWNJSA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OC[C@H]2CCCO2)c1	ZINC000676280354	1075487203	/nfs/dbraw/zinc/48/72/03/1075487203.db2.gz	RYTJZWNZNVSCIK-MDZRGWNJSA-N	1	1	405.495	1.327	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676280355	1075487273	/nfs/dbraw/zinc/48/72/73/1075487273.db2.gz	SAMCLJOVCJBSDG-GWCFXTLKSA-N	1	1	405.442	1.957	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280355	1075487275	/nfs/dbraw/zinc/48/72/75/1075487275.db2.gz	SAMCLJOVCJBSDG-GWCFXTLKSA-N	1	1	405.442	1.957	20	0		HDADMO
Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676281571	1075488653	/nfs/dbraw/zinc/48/86/53/1075488653.db2.gz	NVPLBWWWSIWCNF-YOEHRIQHSA-N	1	1	415.519	1.710	20	0		HDADMO
Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281571	1075488658	/nfs/dbraw/zinc/48/86/58/1075488658.db2.gz	NVPLBWWWSIWCNF-YOEHRIQHSA-N	1	1	415.519	1.710	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)s1	ZINC000676288945	1075492726	/nfs/dbraw/zinc/49/27/26/1075492726.db2.gz	BSYWQNNYQDYIOW-RBSFLKMASA-N	1	1	401.554	1.045	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)s1	ZINC000676288945	1075492730	/nfs/dbraw/zinc/49/27/30/1075492730.db2.gz	BSYWQNNYQDYIOW-RBSFLKMASA-N	1	1	401.554	1.045	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H](N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1=O	ZINC000466726078	1075493938	/nfs/dbraw/zinc/49/39/38/1075493938.db2.gz	DMBSZIQIWCCHAU-WMLDXEAASA-N	1	1	407.536	1.825	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676291294	1075495638	/nfs/dbraw/zinc/49/56/38/1075495638.db2.gz	OHSHRXQQOFGRIM-KXBFYZLASA-N	1	1	400.479	1.728	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676291294	1075495641	/nfs/dbraw/zinc/49/56/41/1075495641.db2.gz	OHSHRXQQOFGRIM-KXBFYZLASA-N	1	1	400.479	1.728	20	0		HDADMO
NC(=O)C1(C(=O)OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1	ZINC000731728914	1075495807	/nfs/dbraw/zinc/49/58/07/1075495807.db2.gz	UBZRXQYSCVWNCA-UHFFFAOYSA-N	1	1	421.497	1.729	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC[N@@H+]1CCO	ZINC000429420338	1075496616	/nfs/dbraw/zinc/49/66/16/1075496616.db2.gz	SLEFCYRUCLSVCL-WBVHZDCISA-N	1	1	411.524	1.170	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC[N@H+]1CCO	ZINC000429420338	1075496618	/nfs/dbraw/zinc/49/66/18/1075496618.db2.gz	SLEFCYRUCLSVCL-WBVHZDCISA-N	1	1	411.524	1.170	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)cc1C	ZINC000676304019	1075501909	/nfs/dbraw/zinc/50/19/09/1075501909.db2.gz	JDNRMHAQVMLQEI-UHFFFAOYSA-N	1	1	417.535	1.441	20	0		HDADMO
CC[C@H](c1nnc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)s1)c1ccccc1	ZINC000438020667	1075502806	/nfs/dbraw/zinc/50/28/06/1075502806.db2.gz	FPPJKPDJLZETAM-JXFKEZNVSA-N	1	1	419.551	2.285	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676306227	1075503123	/nfs/dbraw/zinc/50/31/23/1075503123.db2.gz	KSIHSQRPFWKWPD-SUMWQHHRSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676306227	1075503128	/nfs/dbraw/zinc/50/31/28/1075503128.db2.gz	KSIHSQRPFWKWPD-SUMWQHHRSA-N	1	1	412.893	1.666	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1F	ZINC000676305525	1075503534	/nfs/dbraw/zinc/50/35/34/1075503534.db2.gz	PVZITBXPSBZRKQ-OXQOHEQNSA-N	1	1	420.529	1.891	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1F	ZINC000676305525	1075503536	/nfs/dbraw/zinc/50/35/36/1075503536.db2.gz	PVZITBXPSBZRKQ-OXQOHEQNSA-N	1	1	420.529	1.891	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676305552	1075503542	/nfs/dbraw/zinc/50/35/42/1075503542.db2.gz	QHWHZVAYMDZEBF-NOLJZWGESA-N	1	1	405.417	1.463	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676305552	1075503544	/nfs/dbraw/zinc/50/35/44/1075503544.db2.gz	QHWHZVAYMDZEBF-NOLJZWGESA-N	1	1	405.417	1.463	20	0		HDADMO
CCNC(=O)COc1ccc(CNc2nc(N3CCOCC3)cc[nH+]2)cc1OC	ZINC000676308228	1075504724	/nfs/dbraw/zinc/50/47/24/1075504724.db2.gz	CWONYDPJHFTDII-UHFFFAOYSA-N	1	1	401.467	1.449	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676308123	1075504871	/nfs/dbraw/zinc/50/48/71/1075504871.db2.gz	VIVGQQPNKQYWTN-YSVLISHTSA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676308123	1075504878	/nfs/dbraw/zinc/50/48/78/1075504878.db2.gz	VIVGQQPNKQYWTN-YSVLISHTSA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307576	1075505194	/nfs/dbraw/zinc/50/51/94/1075505194.db2.gz	PTZBLXRSBUKZOL-LZWOXQAQSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307576	1075505200	/nfs/dbraw/zinc/50/52/00/1075505200.db2.gz	PTZBLXRSBUKZOL-LZWOXQAQSA-N	1	1	409.918	1.814	20	0		HDADMO
O=C(C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2)NC1CCCCC1	ZINC001035752349	1075505699	/nfs/dbraw/zinc/50/56/99/1075505699.db2.gz	HZLIWPIZSDUNEG-IYWGDAJJSA-N	1	1	401.551	1.783	20	0		HDADMO
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000676316813	1075506401	/nfs/dbraw/zinc/50/64/01/1075506401.db2.gz	BDSLNVRYYSGEFB-HKUYNNGSSA-N	1	1	402.539	1.441	20	0		HDADMO
O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000676317962	1075506844	/nfs/dbraw/zinc/50/68/44/1075506844.db2.gz	RIHAFGVNQKDJPT-LJQANCHMSA-N	1	1	418.563	1.221	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc2)CC1	ZINC000676320193	1075507148	/nfs/dbraw/zinc/50/71/48/1075507148.db2.gz	OBEXHWIGDJKEKO-QGZVFWFLSA-N	1	1	424.567	1.367	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3nccc(N4CCOCC4)n3)c2)C1	ZINC000676310913	1075509013	/nfs/dbraw/zinc/50/90/13/1075509013.db2.gz	QDFSHIJSOJOTCR-LJQANCHMSA-N	1	1	410.522	1.623	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676334695	1075510135	/nfs/dbraw/zinc/51/01/35/1075510135.db2.gz	DUSFRMMUCVJURU-AZUAARDMSA-N	1	1	418.538	1.255	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676334695	1075510143	/nfs/dbraw/zinc/51/01/43/1075510143.db2.gz	DUSFRMMUCVJURU-AZUAARDMSA-N	1	1	418.538	1.255	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1	ZINC000543669881	1075510507	/nfs/dbraw/zinc/51/05/07/1075510507.db2.gz	LMFKADVDVGZZRN-AQNXPRMDSA-N	1	1	418.513	1.994	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1	ZINC000731758666	1075514185	/nfs/dbraw/zinc/51/41/85/1075514185.db2.gz	KPXUAFLRKGBKJN-UHFFFAOYSA-N	1	1	411.547	1.238	20	0		HDADMO
Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2=O)c1	ZINC000676342232	1075514880	/nfs/dbraw/zinc/51/48/80/1075514880.db2.gz	ZLBWBDWUGRMLTD-ZWKOTPCHSA-N	1	1	400.479	1.133	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1	ZINC000731761848	1075516322	/nfs/dbraw/zinc/51/63/22/1075516322.db2.gz	JTLSBJYCIFYMQJ-UHFFFAOYSA-N	1	1	411.547	1.238	20	0		HDADMO
Cc1ccc(N2CCCN(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2)cc1	ZINC000731761824	1075516737	/nfs/dbraw/zinc/51/67/37/1075516737.db2.gz	HUYCMIIQYYSZBA-UHFFFAOYSA-N	1	1	401.555	1.769	20	0		HDADMO
C[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@@H]1C[N@H+](C)CCO1	ZINC000676346592	1075519799	/nfs/dbraw/zinc/51/97/99/1075519799.db2.gz	BHPZEDRYCJPRHU-LRDDRELGSA-N	1	1	404.492	1.479	20	0		HDADMO
C[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676346592	1075519804	/nfs/dbraw/zinc/51/98/04/1075519804.db2.gz	BHPZEDRYCJPRHU-LRDDRELGSA-N	1	1	404.492	1.479	20	0		HDADMO
CC(=O)N1c2ccc(S(=O)(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2C[C@@H]1C	ZINC000429427761	1075522527	/nfs/dbraw/zinc/52/25/27/1075522527.db2.gz	SIIUKRUXJSQJCJ-RDJZCZTQSA-N	1	1	407.536	1.327	20	0		HDADMO
Cc1nc(C)c(CCC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)[nH]1	ZINC000509408279	1075523364	/nfs/dbraw/zinc/52/33/64/1075523364.db2.gz	XSCWYUYWZUBRCO-UHFFFAOYSA-N	1	1	401.486	1.809	20	0		HDADMO
CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000142113656	1075527199	/nfs/dbraw/zinc/52/71/99/1075527199.db2.gz	KZOQQWOSYUCBAD-CALCHBBNSA-N	1	1	418.538	1.723	20	0		HDADMO
C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676358325	1075531879	/nfs/dbraw/zinc/53/18/79/1075531879.db2.gz	DITRZPRLIVGJGP-LMNJBCLMSA-N	1	1	402.539	1.427	20	0		HDADMO
C[C@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676402236	1075544307	/nfs/dbraw/zinc/54/43/07/1075544307.db2.gz	RFNHOPBLYLXIKX-KSSFIOAISA-N	1	1	414.531	1.922	20	0		HDADMO
C[C@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676402236	1075544310	/nfs/dbraw/zinc/54/43/10/1075544310.db2.gz	RFNHOPBLYLXIKX-KSSFIOAISA-N	1	1	414.531	1.922	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1	ZINC000731843294	1075548053	/nfs/dbraw/zinc/54/80/53/1075548053.db2.gz	OKCSDYWRLKWIHI-HNNXBMFYSA-N	1	1	419.595	1.376	20	0		HDADMO
Cc1cc(S(=O)(=O)NCCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(C)s1	ZINC000676422281	1075550049	/nfs/dbraw/zinc/55/00/49/1075550049.db2.gz	UDKPNCSSERHAJY-HNNXBMFYSA-N	1	1	400.570	1.427	20	0		HDADMO
COc1c(C)c[nH+]c(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1C	ZINC000731890101	1075557613	/nfs/dbraw/zinc/55/76/13/1075557613.db2.gz	QRNRCOXRNGJYPY-UHFFFAOYSA-N	1	1	400.504	1.974	20	0		HDADMO
C[C@H](CC(=O)NC[C@H](c1ccco1)[NH+](C)C)NS(=O)(=O)c1cccnc1Cl	ZINC000731890839	1075557852	/nfs/dbraw/zinc/55/78/52/1075557852.db2.gz	HAVCGUXHQJQELV-CHWSQXEVSA-N	1	1	414.915	1.804	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N2CCc3sc(Br)cc3C2)CC1	ZINC000676460652	1075560623	/nfs/dbraw/zinc/56/06/23/1075560623.db2.gz	RLXCUITYKBRYFC-UHFFFAOYSA-N	1	1	415.357	1.742	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1(OCc2ccccc2)CCOCC1	ZINC000676473961	1075564166	/nfs/dbraw/zinc/56/41/66/1075564166.db2.gz	YNNWLSLLKIBWPF-NRFANRHFSA-N	1	1	417.550	1.275	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000676500808	1075570352	/nfs/dbraw/zinc/57/03/52/1075570352.db2.gz	DZEZTNAGSXIGCF-SBHAEUEKSA-N	1	1	405.587	1.051	20	0		HDADMO
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000676500808	1075570356	/nfs/dbraw/zinc/57/03/56/1075570356.db2.gz	DZEZTNAGSXIGCF-SBHAEUEKSA-N	1	1	405.587	1.051	20	0		HDADMO
CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000676503095	1075571039	/nfs/dbraw/zinc/57/10/39/1075571039.db2.gz	XJLBVDJCMBZYLP-QGZVFWFLSA-N	1	1	415.538	1.094	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)CCO2	ZINC000676522959	1075574351	/nfs/dbraw/zinc/57/43/51/1075574351.db2.gz	SKHWHSJRLMZPOM-CRAIPNDOSA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CCO2	ZINC000676522959	1075574356	/nfs/dbraw/zinc/57/43/56/1075574356.db2.gz	SKHWHSJRLMZPOM-CRAIPNDOSA-N	1	1	419.522	1.329	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1COc2ccccc2C1	ZINC000731961892	1075577223	/nfs/dbraw/zinc/57/72/23/1075577223.db2.gz	BSDGOEFRHZVIIF-PXNSSMCTSA-N	1	1	401.507	1.067	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCSCc1ccccc1	ZINC000731963892	1075577623	/nfs/dbraw/zinc/57/76/23/1075577623.db2.gz	TUCSKNYANGWDQR-LJQANCHMSA-N	1	1	405.564	1.749	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)O[C@H](C)C2	ZINC000676543779	1075581755	/nfs/dbraw/zinc/58/17/55/1075581755.db2.gz	GKWDNGXXQGYOPP-VQIMIIECSA-N	1	1	402.539	1.940	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C1	ZINC000676552224	1075584849	/nfs/dbraw/zinc/58/48/49/1075584849.db2.gz	ZCWWYPHDBCGOGC-NRFANRHFSA-N	1	1	418.501	1.998	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccccn4)c3)CC2)c1	ZINC000676554324	1075586368	/nfs/dbraw/zinc/58/63/68/1075586368.db2.gz	IDSVCQGKEDDJQU-UHFFFAOYSA-N	1	1	405.462	1.317	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](CO)CC(C)(C)C)cc2)CC1	ZINC000676556910	1075589461	/nfs/dbraw/zinc/58/94/61/1075589461.db2.gz	XSJJRVIBSQWXIU-GOSISDBHSA-N	1	1	418.538	1.316	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)CNC(=O)OCC(F)(F)F)CC1	ZINC000732056983	1075596719	/nfs/dbraw/zinc/59/67/19/1075596719.db2.gz	AKZNWVRMGRWBPB-UHFFFAOYSA-N	1	1	416.444	1.729	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1	ZINC000468427316	1075602053	/nfs/dbraw/zinc/60/20/53/1075602053.db2.gz	GVACUUBYLNEXNL-GOSISDBHSA-N	1	1	412.538	2.230	20	0		HDADMO
C[C@@H]1CCC[N@@H+](CCCCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1	ZINC000468699556	1075603629	/nfs/dbraw/zinc/60/36/29/1075603629.db2.gz	JIVJNYJVEGLFCD-QGZVFWFLSA-N	1	1	408.568	1.876	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)[NH+]2CCCC2)o1	ZINC000804178827	1075605185	/nfs/dbraw/zinc/60/51/85/1075605185.db2.gz	QIILBUYQXHQBIN-IAGOWNOFSA-N	1	1	405.495	1.453	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1	ZINC000599456201	1075617362	/nfs/dbraw/zinc/61/73/62/1075617362.db2.gz	INPRKTRLDATQQJ-UHFFFAOYSA-N	1	1	416.526	1.610	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1	ZINC000599456201	1075617365	/nfs/dbraw/zinc/61/73/65/1075617365.db2.gz	INPRKTRLDATQQJ-UHFFFAOYSA-N	1	1	416.526	1.610	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(cnn4C(F)F)c3)CC2)C1	ZINC000676619360	1075618336	/nfs/dbraw/zinc/61/83/36/1075618336.db2.gz	SETXUZGFUKCNGE-MRXNPFEDSA-N	1	1	420.464	1.608	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CCOCC1	ZINC000676622379	1075620611	/nfs/dbraw/zinc/62/06/11/1075620611.db2.gz	YGARODDQYJTRJI-IRXDYDNUSA-N	1	1	419.522	1.546	20	0		HDADMO
CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676627851	1075623966	/nfs/dbraw/zinc/62/39/66/1075623966.db2.gz	WTYAYNXJRBFEBL-GIWBLDEGSA-N	1	1	407.514	1.963	20	0		HDADMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1=O	ZINC000429456775	1075625418	/nfs/dbraw/zinc/62/54/18/1075625418.db2.gz	XUPNNHMJEKQMDC-RUGGUXRKSA-N	1	1	400.523	1.178	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	ZINC000732120446	1075629311	/nfs/dbraw/zinc/62/93/11/1075629311.db2.gz	MKHCUWBQAOGINA-UHFFFAOYSA-N	1	1	415.515	1.988	20	0		HDADMO
COC1CCC(C)(CNC(=O)N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CC1	ZINC000409607112	1075630351	/nfs/dbraw/zinc/63/03/51/1075630351.db2.gz	DTUFFKNXCTUCBK-SHPPYHEDSA-N	1	1	406.531	1.575	20	0		HDADMO
COC1CCC(C)(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CC1	ZINC000409607112	1075630355	/nfs/dbraw/zinc/63/03/55/1075630355.db2.gz	DTUFFKNXCTUCBK-SHPPYHEDSA-N	1	1	406.531	1.575	20	0		HDADMO
Cc1csc([C@](O)(CC(=O)N(C)CCC[NH+]2CCN(C)CC2)C(F)(F)F)n1	ZINC000732113994	1075635505	/nfs/dbraw/zinc/63/55/05/1075635505.db2.gz	JXODUQIFCREBAE-MRXNPFEDSA-N	1	1	408.490	1.687	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000732114401	1075635884	/nfs/dbraw/zinc/63/58/84/1075635884.db2.gz	KMQLUIKVMKTELC-SFHVURJKSA-N	1	1	406.958	1.784	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1	ZINC000732137486	1075645952	/nfs/dbraw/zinc/64/59/52/1075645952.db2.gz	HHBUSJGFABTILM-VIFPVBQESA-N	1	1	410.359	1.762	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O	ZINC000732138481	1075646950	/nfs/dbraw/zinc/64/69/50/1075646950.db2.gz	DCRRIJQEURCXGH-OAHLLOKOSA-N	1	1	409.508	1.082	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000732139954	1075647252	/nfs/dbraw/zinc/64/72/52/1075647252.db2.gz	VTSPWHUIDPNTEP-OAHLLOKOSA-N	1	1	413.515	1.451	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000732149538	1075649772	/nfs/dbraw/zinc/64/97/72/1075649772.db2.gz	KWAIXCYTWUMNLW-OAHLLOKOSA-N	1	1	414.959	1.100	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)OC(C)C	ZINC000676695990	1075650013	/nfs/dbraw/zinc/65/00/13/1075650013.db2.gz	ZCJTXQJBFSQWON-AYOQOUSVSA-N	1	1	407.511	1.113	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)OC(C)C	ZINC000676695990	1075650018	/nfs/dbraw/zinc/65/00/18/1075650018.db2.gz	ZCJTXQJBFSQWON-AYOQOUSVSA-N	1	1	407.511	1.113	20	0		HDADMO
C[C@]1(c2ccccc2F)NC(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732191885	1075655798	/nfs/dbraw/zinc/65/57/98/1075655798.db2.gz	USHWBNHHRFLIBZ-YCRPNKLZSA-N	1	1	402.470	1.885	20	0		HDADMO
C[C@]1(c2ccccc2F)NC(=O)N(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732191885	1075655802	/nfs/dbraw/zinc/65/58/02/1075655802.db2.gz	USHWBNHHRFLIBZ-YCRPNKLZSA-N	1	1	402.470	1.885	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CCCOC[C@H]3C)CC2)cc1OC	ZINC000676710338	1075657029	/nfs/dbraw/zinc/65/70/29/1075657029.db2.gz	CCIXIDQQEPPOBB-GOSISDBHSA-N	1	1	405.539	1.767	20	0		HDADMO
COc1cc(OC)c(OC)cc1CNC(=O)CON=C(N)C[N@H+]1CCCC[C@@H]1C	ZINC000732195767	1075657075	/nfs/dbraw/zinc/65/70/75/1075657075.db2.gz	PBRKZZMXFVLFLH-AWEZNQCLSA-N	1	1	408.499	1.701	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCOC[C@H]2C)CC1	ZINC000676711609	1075657362	/nfs/dbraw/zinc/65/73/62/1075657362.db2.gz	SWPCFFIHCKZWRE-GOSISDBHSA-N	1	1	402.539	1.443	20	0		HDADMO
CCCCCN(C(=O)C[N@@H+]1CCCOC[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000676711941	1075657740	/nfs/dbraw/zinc/65/77/40/1075657740.db2.gz	GFFDMGQDCRENDI-INIZCTEOSA-N	1	1	423.558	1.965	20	0		HDADMO
CCCCCN(C(=O)C[N@H+]1CCCOC[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000676711941	1075657742	/nfs/dbraw/zinc/65/77/42/1075657742.db2.gz	GFFDMGQDCRENDI-INIZCTEOSA-N	1	1	423.558	1.965	20	0		HDADMO
C[C@@H]1COCCC[N@@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000676714162	1075657960	/nfs/dbraw/zinc/65/79/60/1075657960.db2.gz	UKULYZWROQCSHN-QGZVFWFLSA-N	1	1	409.552	1.588	20	0		HDADMO
C[C@@H]1COCCC[N@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000676714162	1075657961	/nfs/dbraw/zinc/65/79/61/1075657961.db2.gz	UKULYZWROQCSHN-QGZVFWFLSA-N	1	1	409.552	1.588	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)CNC(=O)OCC(F)(F)F)CC2)oc1C	ZINC000732174449	1075660300	/nfs/dbraw/zinc/66/03/00/1075660300.db2.gz	BSVFZIWATGCREV-UHFFFAOYSA-N	1	1	406.405	1.908	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@](CC)(c3ccc(OC)cc3)C2=O)CC1	ZINC000732180877	1075662512	/nfs/dbraw/zinc/66/25/12/1075662512.db2.gz	QVIMLXCJCMZCOI-OAQYLSRUSA-N	1	1	404.511	1.464	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1	ZINC000732180583	1075662552	/nfs/dbraw/zinc/66/25/52/1075662552.db2.gz	PRZUYECEFZOWJT-QGZVFWFLSA-N	1	1	400.932	1.780	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)CC1	ZINC000732181134	1075662920	/nfs/dbraw/zinc/66/29/20/1075662920.db2.gz	YSIXQYHDYLYBBW-LJQANCHMSA-N	1	1	412.893	1.858	20	0		HDADMO
Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCC[N@H+](C(C)(C)C)CC1	ZINC000676730763	1075663416	/nfs/dbraw/zinc/66/34/16/1075663416.db2.gz	UFYKFYZCOHNEGL-UHFFFAOYSA-N	1	1	411.514	1.197	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000732206857	1075663685	/nfs/dbraw/zinc/66/36/85/1075663685.db2.gz	MIUVDPCQPSRDGL-ZDUSSCGKSA-N	1	1	422.482	1.951	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000732206857	1075663687	/nfs/dbraw/zinc/66/36/87/1075663687.db2.gz	MIUVDPCQPSRDGL-ZDUSSCGKSA-N	1	1	422.482	1.951	20	0		HDADMO
COCCOc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1	ZINC000732212946	1075668783	/nfs/dbraw/zinc/66/87/83/1075668783.db2.gz	PODSFBUGJBEQMY-LJQANCHMSA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1	ZINC000732212946	1075668788	/nfs/dbraw/zinc/66/87/88/1075668788.db2.gz	PODSFBUGJBEQMY-LJQANCHMSA-N	1	1	403.523	1.805	20	0		HDADMO
NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000732213230	1075669552	/nfs/dbraw/zinc/66/95/52/1075669552.db2.gz	RZJROUALJVDRLA-LJQANCHMSA-N	1	1	400.523	1.368	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc32)C1	ZINC000488905007	1075671583	/nfs/dbraw/zinc/67/15/83/1075671583.db2.gz	VWTZHRWFSZDVBX-DZGCQCFKSA-N	1	1	403.870	1.627	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc32)C1	ZINC000488905007	1075671584	/nfs/dbraw/zinc/67/15/84/1075671584.db2.gz	VWTZHRWFSZDVBX-DZGCQCFKSA-N	1	1	403.870	1.627	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1	ZINC000732238819	1075676836	/nfs/dbraw/zinc/67/68/36/1075676836.db2.gz	SKLMXTPMOVIEFP-OAHLLOKOSA-N	1	1	403.310	1.536	20	0		HDADMO
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1	ZINC000507208650	1075677062	/nfs/dbraw/zinc/67/70/62/1075677062.db2.gz	IHDHHSKWBHPIQU-HXUWFJFHSA-N	1	1	409.490	1.971	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1	ZINC000732245614	1075679095	/nfs/dbraw/zinc/67/90/95/1075679095.db2.gz	BRZPOHUCYBHNLN-LRDDRELGSA-N	1	1	417.337	1.913	20	0		HDADMO
O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000732246361	1075679451	/nfs/dbraw/zinc/67/94/51/1075679451.db2.gz	RDTOAUQJBJWXQA-JKSUJKDBSA-N	1	1	400.479	1.225	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000732228220	1075684428	/nfs/dbraw/zinc/68/44/28/1075684428.db2.gz	PRNDDTWJCUEGIW-QGZVFWFLSA-N	1	1	410.540	1.212	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000732228220	1075684432	/nfs/dbraw/zinc/68/44/32/1075684432.db2.gz	PRNDDTWJCUEGIW-QGZVFWFLSA-N	1	1	410.540	1.212	20	0		HDADMO
Cc1cc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1	ZINC001084996445	1075696354	/nfs/dbraw/zinc/69/63/54/1075696354.db2.gz	JAOLDODMOIXXOJ-NXNFSMPISA-N	1	1	402.539	1.474	20	0		HDADMO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc(-n3cccn3)nc(N)n2)CC1	ZINC000538085818	1075698777	/nfs/dbraw/zinc/69/87/77/1075698777.db2.gz	GHSNURYZCSVPQE-UHFFFAOYSA-N	1	1	400.531	1.165	20	0		HDADMO
CC[C@H](CSC)N(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509437681	1075700129	/nfs/dbraw/zinc/70/01/29/1075700129.db2.gz	KTXBOGWIBDFSCH-QZTJIDSGSA-N	1	1	406.596	1.913	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000550838188	1075700399	/nfs/dbraw/zinc/70/03/99/1075700399.db2.gz	CRJPOWHLGILBCK-DOMZBBRYSA-N	1	1	413.444	1.618	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1	ZINC001545676659	1075701354	/nfs/dbraw/zinc/70/13/54/1075701354.db2.gz	HOHQHUPCPYMSPG-KRWDZBQOSA-N	1	1	419.574	1.189	20	0		HDADMO
COc1cc2nc(NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)nc(N)c2cc1OC	ZINC000536304782	1075702185	/nfs/dbraw/zinc/70/21/85/1075702185.db2.gz	HZQYFXGGONJOBJ-JKSUJKDBSA-N	1	1	409.490	1.698	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1	ZINC000466077135	1075702386	/nfs/dbraw/zinc/70/23/86/1075702386.db2.gz	KZPONHDRWJLBHI-KSSFIOAISA-N	1	1	404.540	2.237	20	0		HDADMO
COc1cc2nc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)nc(N)c2cc1OC	ZINC000541005219	1075702965	/nfs/dbraw/zinc/70/29/65/1075702965.db2.gz	KWYDOTVKFIZEQJ-MRXNPFEDSA-N	1	1	409.490	1.830	20	0		HDADMO
C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O	ZINC000429466370	1075704706	/nfs/dbraw/zinc/70/47/06/1075704706.db2.gz	YPSGSUIFCZIRPQ-QLFBSQMISA-N	1	1	406.449	1.292	20	0		HDADMO
COC(=O)c1ccc(CS(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)cc1	ZINC000543685143	1075705304	/nfs/dbraw/zinc/70/53/04/1075705304.db2.gz	CGEGODBVHVBLHN-UHFFFAOYSA-N	1	1	423.579	1.653	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCOC2(CCCC2)C1	ZINC000509437246	1075705713	/nfs/dbraw/zinc/70/57/13/1075705713.db2.gz	IXEPGLMIYQCAEX-IBGZPJMESA-N	1	1	414.550	1.485	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1	ZINC000475865494	1075709651	/nfs/dbraw/zinc/70/96/51/1075709651.db2.gz	NWTJDLXOSTWJEL-UHFFFAOYSA-N	1	1	413.526	1.742	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2nc(N)ns2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000498719321	1075712748	/nfs/dbraw/zinc/71/27/48/1075712748.db2.gz	UWXFBIXRGIPGLJ-RDJZCZTQSA-N	1	1	415.567	1.863	20	0		HDADMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000486225696	1075720511	/nfs/dbraw/zinc/72/05/11/1075720511.db2.gz	LLPXMWVGUYMXKV-HNAYVOBHSA-N	1	1	409.538	1.522	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccn(CCN3CCOCC3)n2)C1	ZINC000438334175	1075721608	/nfs/dbraw/zinc/72/16/08/1075721608.db2.gz	WXWPCCPTDAPGEF-HDICACEKSA-N	1	1	406.575	2.093	20	0		HDADMO
C[C@H](c1cnn(C)c1)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509441357	1075722763	/nfs/dbraw/zinc/72/27/63/1075722763.db2.gz	VSYZPDMKOJJZAQ-ZWKOTPCHSA-N	1	1	412.538	1.266	20	0		HDADMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1	ZINC000509254536	1075725012	/nfs/dbraw/zinc/72/50/12/1075725012.db2.gz	BKAPJVZNAYHNCC-HZPDHXFCSA-N	1	1	414.597	1.742	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000429260802	1075727247	/nfs/dbraw/zinc/72/72/47/1075727247.db2.gz	OFRYCIDIDGYIHN-OAHLLOKOSA-N	1	1	407.540	1.832	20	0		HDADMO
CC(C)[C@H](NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nncn1C	ZINC000509255880	1075727613	/nfs/dbraw/zinc/72/76/13/1075727613.db2.gz	GRHUWQWWTKLPHU-RXVVDRJESA-N	1	1	400.527	1.791	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)nc2ccccc12	ZINC000485546175	1075727909	/nfs/dbraw/zinc/72/79/09/1075727909.db2.gz	GBZGVNDCXWKBNJ-RBUKOAKNSA-N	1	1	409.538	1.666	20	0		HDADMO
CCn1nc(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)ccc1=O	ZINC000732374362	1075729488	/nfs/dbraw/zinc/72/94/88/1075729488.db2.gz	KYPBKEIGBKSBKL-UHFFFAOYSA-N	1	1	412.490	1.463	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCOC(C)(C)[C@@H]1C	ZINC000509442586	1075737132	/nfs/dbraw/zinc/73/71/32/1075737132.db2.gz	QXFOITBSGOOEGV-MSOLQXFVSA-N	1	1	402.539	1.339	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1	ZINC000509443068	1075738112	/nfs/dbraw/zinc/73/81/12/1075738112.db2.gz	WZHXWOHZDFQDLY-AZUAARDMSA-N	1	1	424.549	1.790	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@]1(C)CCCS1	ZINC000509443203	1075739171	/nfs/dbraw/zinc/73/91/71/1075739171.db2.gz	YEZMRMKXQGTFQH-LAUBAEHRSA-N	1	1	404.580	1.715	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCSCC[C@H]1C	ZINC000509443310	1075739481	/nfs/dbraw/zinc/73/94/81/1075739481.db2.gz	ZCIPDJAOYRCUMG-ZWKOTPCHSA-N	1	1	404.580	1.667	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000804221366	1075743198	/nfs/dbraw/zinc/74/31/98/1075743198.db2.gz	KYBJOAHETGYIIX-JKSUJKDBSA-N	1	1	412.575	1.985	20	0		HDADMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509259557	1075745323	/nfs/dbraw/zinc/74/53/23/1075745323.db2.gz	VNCUIFSDIUICEM-GJZGRUSLSA-N	1	1	400.570	1.494	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1	ZINC000732463849	1075751899	/nfs/dbraw/zinc/75/18/99/1075751899.db2.gz	SSGJYVJCBKOCKQ-QGZVFWFLSA-N	1	1	403.527	1.307	20	0		HDADMO
C[C@H](CN1CCCC1=O)Nc1cc(N[C@@H](C)CN2CCCC2=O)c2ccncc2[nH+]1	ZINC000555925693	1075754321	/nfs/dbraw/zinc/75/43/21/1075754321.db2.gz	RJXNXWWVHNBXLO-JKSUJKDBSA-N	1	1	410.522	2.475	20	0		HDADMO
CC(C)n1cnnc1CN(C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000429271546	1075756942	/nfs/dbraw/zinc/75/69/42/1075756942.db2.gz	HLRUUCXHOROKHB-GOSISDBHSA-N	1	1	414.554	1.828	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1	ZINC000490458508	1075759934	/nfs/dbraw/zinc/75/99/34/1075759934.db2.gz	NTUHAORUXRUQEK-UHFFFAOYSA-N	1	1	419.913	1.769	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000471278755	1075762736	/nfs/dbraw/zinc/76/27/36/1075762736.db2.gz	URIBFZZPDSIDIL-GOSISDBHSA-N	1	1	407.522	1.894	20	0		HDADMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)c1)C1CC1	ZINC000436693720	1075763251	/nfs/dbraw/zinc/76/32/51/1075763251.db2.gz	CYGCGRTVSAONTG-UHFFFAOYSA-N	1	1	418.501	2.540	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000467694990	1075764745	/nfs/dbraw/zinc/76/47/45/1075764745.db2.gz	CYLGDFAEPHCNHV-KBXCAEBGSA-N	1	1	407.522	2.035	20	0		HDADMO
C[N@@H+](Cc1ccccc1NC(=O)C(=O)Nc1ccn(CC(N)=O)n1)C1CCCCC1	ZINC000556181718	1075770174	/nfs/dbraw/zinc/77/01/74/1075770174.db2.gz	IKTOUGUZMGWMIE-UHFFFAOYSA-N	1	1	412.494	1.710	20	0		HDADMO
CCN1C[C@H](CN(C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)Oc2ccccc21	ZINC000016423725	1075787313	/nfs/dbraw/zinc/78/73/13/1075787313.db2.gz	XUVUAIUBMLSINE-UXHICEINSA-N	1	1	418.582	1.679	20	0		HDADMO
COc1ccc(C)cc1[C@]1(C)NC(=O)N(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1=O	ZINC000486454333	1075787347	/nfs/dbraw/zinc/78/73/47/1075787347.db2.gz	IOIIERGUIOHBMA-CMBDLQSPSA-N	1	1	405.495	1.241	20	0		HDADMO
CC(C)(C)n1cnc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000568700769	1075788880	/nfs/dbraw/zinc/78/88/80/1075788880.db2.gz	HRLRZFXPQUFRLZ-SFHVURJKSA-N	1	1	412.538	2.390	20	0		HDADMO
CC(=O)[C@H]1CC(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1	ZINC000732563643	1075789349	/nfs/dbraw/zinc/78/93/49/1075789349.db2.gz	LYPHQMCVZQHUFI-RBBKRZOGSA-N	1	1	411.550	1.837	20	0		HDADMO
CC(=O)[C@H]1CC(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1	ZINC000732563643	1075789353	/nfs/dbraw/zinc/78/93/53/1075789353.db2.gz	LYPHQMCVZQHUFI-RBBKRZOGSA-N	1	1	411.550	1.837	20	0		HDADMO
O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000016498102	1075789403	/nfs/dbraw/zinc/78/94/03/1075789403.db2.gz	KAXQYGOIMWQNQX-UHFFFAOYSA-N	1	1	408.458	1.652	20	0		HDADMO
CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1	ZINC000559027274	1075789702	/nfs/dbraw/zinc/78/97/02/1075789702.db2.gz	FMXYAZWUKVZONS-KRWDZBQOSA-N	1	1	412.538	2.389	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC3(CC2)OCCc2ccsc23)C1	ZINC000486966298	1075791457	/nfs/dbraw/zinc/79/14/57/1075791457.db2.gz	NCRLBQIJRWZALP-KRWDZBQOSA-N	1	1	420.579	1.909	20	0		HDADMO
CC(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nncn1C	ZINC000509274684	1075792948	/nfs/dbraw/zinc/79/29/48/1075792948.db2.gz	RUYTXIZNZUJXEW-QRVBRYPASA-N	1	1	400.527	1.694	20	0		HDADMO
C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1	ZINC000645620724	1075800387	/nfs/dbraw/zinc/80/03/87/1075800387.db2.gz	QSDULZFAHRQLFI-NHYWBVRUSA-N	1	1	408.289	2.280	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1	ZINC000545907560	1075809669	/nfs/dbraw/zinc/80/96/69/1075809669.db2.gz	DSIRUBNVHQKFPY-RXVVDRJESA-N	1	1	417.513	2.507	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1	ZINC000545907558	1075809929	/nfs/dbraw/zinc/80/99/29/1075809929.db2.gz	DSIRUBNVHQKFPY-GHTZIAJQSA-N	1	1	417.513	2.507	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000550834574	1075811949	/nfs/dbraw/zinc/81/19/49/1075811949.db2.gz	BRLUHUKJGBJEFM-JSGCOSHPSA-N	1	1	401.433	1.618	20	0		HDADMO
CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC3CC(OCC)C3)CC2)cc1	ZINC000509279151	1075811951	/nfs/dbraw/zinc/81/19/51/1075811951.db2.gz	LOHSPQUMKZTINT-UHFFFAOYSA-N	1	1	410.536	1.985	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611037239	1075818153	/nfs/dbraw/zinc/81/81/53/1075818153.db2.gz	HBWXDFJZMWTSJO-HUUCEWRRSA-N	1	1	411.524	1.716	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611038054	1075818574	/nfs/dbraw/zinc/81/85/74/1075818574.db2.gz	IRMZDRXNAPEQTK-ROUUACIJSA-N	1	1	403.527	1.569	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000732673568	1075828308	/nfs/dbraw/zinc/82/83/08/1075828308.db2.gz	NTJWMYCRSNUVEF-UONOGXRCSA-N	1	1	412.478	1.474	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732676213	1075830091	/nfs/dbraw/zinc/83/00/91/1075830091.db2.gz	SAAGZCSCTLUKBY-AWEZNQCLSA-N	1	1	414.494	1.722	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C[C@H]1C	ZINC000611100725	1075833367	/nfs/dbraw/zinc/83/33/67/1075833367.db2.gz	PLDCQUSLSTVXSJ-LLVKDONJSA-N	1	1	401.248	1.782	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C[C@H]1C	ZINC000611100725	1075833371	/nfs/dbraw/zinc/83/33/71/1075833371.db2.gz	PLDCQUSLSTVXSJ-LLVKDONJSA-N	1	1	401.248	1.782	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1	ZINC000732704038	1075837651	/nfs/dbraw/zinc/83/76/51/1075837651.db2.gz	PXSDNQAZPKXBDY-UHFFFAOYSA-N	1	1	414.494	1.674	20	0		HDADMO
CN(CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)CC(F)(F)F	ZINC000732704084	1075837704	/nfs/dbraw/zinc/83/77/04/1075837704.db2.gz	JSPGJOCSTODHKL-UHFFFAOYSA-N	1	1	415.460	1.377	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Nc3nnc4ccccn43)c2)C1	ZINC000522776942	1075842047	/nfs/dbraw/zinc/84/20/47/1075842047.db2.gz	IKGANSWZKBHQEF-KRWDZBQOSA-N	1	1	407.478	1.748	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1	ZINC000611099767	1075843232	/nfs/dbraw/zinc/84/32/32/1075843232.db2.gz	SDXKYWRYBZCZSD-INIZCTEOSA-N	1	1	413.478	1.506	20	0		HDADMO
COc1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c(C(=O)NC2CC2)c1	ZINC000732767229	1075849187	/nfs/dbraw/zinc/84/91/87/1075849187.db2.gz	WMBFVDJPIBNRBG-UHFFFAOYSA-N	1	1	409.490	1.987	20	0		HDADMO
COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000611145137	1075855413	/nfs/dbraw/zinc/85/54/13/1075855413.db2.gz	KWGGMEYKPAKFAS-HNNXBMFYSA-N	1	1	400.472	1.488	20	0		HDADMO
COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000611145137	1075855418	/nfs/dbraw/zinc/85/54/18/1075855418.db2.gz	KWGGMEYKPAKFAS-HNNXBMFYSA-N	1	1	400.472	1.488	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)c(=O)[nH]c21	ZINC000732779228	1075863839	/nfs/dbraw/zinc/86/38/39/1075863839.db2.gz	BDWCKHYFWNGKMO-WRFKIARRSA-N	1	1	412.538	1.603	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)c(=O)[nH]c21	ZINC000732779228	1075863847	/nfs/dbraw/zinc/86/38/47/1075863847.db2.gz	BDWCKHYFWNGKMO-WRFKIARRSA-N	1	1	412.538	1.603	20	0		HDADMO
COC(=O)[C@@]1(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CCSC1	ZINC000611160428	1075864031	/nfs/dbraw/zinc/86/40/31/1075864031.db2.gz	ADBHRSXKVZIMMT-HXUWFJFHSA-N	1	1	415.519	1.342	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)C2)CC1	ZINC000732781409	1075865043	/nfs/dbraw/zinc/86/50/43/1075865043.db2.gz	QYPHSXAYALEPPT-UYAOXDASSA-N	1	1	400.523	1.855	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)C2)CC1	ZINC000732781409	1075865048	/nfs/dbraw/zinc/86/50/48/1075865048.db2.gz	QYPHSXAYALEPPT-UYAOXDASSA-N	1	1	400.523	1.855	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1	ZINC000732782739	1075867757	/nfs/dbraw/zinc/86/77/57/1075867757.db2.gz	ZCHVNARPDXZLHD-QZTJIDSGSA-N	1	1	418.969	1.973	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1	ZINC000732782739	1075867764	/nfs/dbraw/zinc/86/77/64/1075867764.db2.gz	ZCHVNARPDXZLHD-QZTJIDSGSA-N	1	1	418.969	1.973	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)no1	ZINC000611177000	1075869571	/nfs/dbraw/zinc/86/95/71/1075869571.db2.gz	UILAMJYLRQIUBN-UHFFFAOYSA-N	1	1	423.583	1.672	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(C(=O)c2cccs2)CC1	ZINC000732808739	1075871302	/nfs/dbraw/zinc/87/13/02/1075871302.db2.gz	BQLWZKBRRJAXGX-KRWDZBQOSA-N	1	1	418.563	1.509	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(C(=O)c2cccs2)CC1	ZINC000732808739	1075871303	/nfs/dbraw/zinc/87/13/03/1075871303.db2.gz	BQLWZKBRRJAXGX-KRWDZBQOSA-N	1	1	418.563	1.509	20	0		HDADMO
COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810346	1075871423	/nfs/dbraw/zinc/87/14/23/1075871423.db2.gz	LOETWIVCKPOATA-CHWSQXEVSA-N	1	1	406.401	1.539	20	0		HDADMO
Cc1ccccc1[C@H](O)CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000732823431	1075879749	/nfs/dbraw/zinc/87/97/49/1075879749.db2.gz	TZNZFJNIKZVPSA-OAQYLSRUSA-N	1	1	410.518	1.915	20	0		HDADMO
CCOc1ncc(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl	ZINC000732848053	1075885232	/nfs/dbraw/zinc/88/52/32/1075885232.db2.gz	WFJRUNKTGKCOHW-OAHLLOKOSA-N	1	1	413.902	1.764	20	0		HDADMO
Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1	ZINC000611244236	1075885427	/nfs/dbraw/zinc/88/54/27/1075885427.db2.gz	LVOFPSBQRACDQO-LPHOPBHVSA-N	1	1	415.538	1.754	20	0		HDADMO
COc1c(C(=O)OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c(C)nn1C	ZINC000732851846	1075886378	/nfs/dbraw/zinc/88/63/78/1075886378.db2.gz	UPTQROCVLQDKOH-UHFFFAOYSA-N	1	1	400.479	1.547	20	0		HDADMO
COC(=O)[C@@]1(NCc2nnnn2-c2ccccc2)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265752	1075888855	/nfs/dbraw/zinc/88/88/55/1075888855.db2.gz	CLSFYBLBEBPQJE-JOCHJYFZSA-N	1	1	406.490	1.960	20	0		HDADMO
COC(=O)[C@@]1(NCc2nnnn2-c2ccccc2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265752	1075888859	/nfs/dbraw/zinc/88/88/59/1075888859.db2.gz	CLSFYBLBEBPQJE-JOCHJYFZSA-N	1	1	406.490	1.960	20	0		HDADMO
COC(=O)[C@]1(NCCCN2C(=O)NC(C)(C)C2=O)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611266031	1075888976	/nfs/dbraw/zinc/88/89/76/1075888976.db2.gz	ISPJWFKXIPYUPI-QFIPXVFZSA-N	1	1	416.522	1.504	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1	ZINC000732879750	1075890447	/nfs/dbraw/zinc/89/04/47/1075890447.db2.gz	CUZBLCNDHIYJMO-KRWDZBQOSA-N	1	1	405.543	1.833	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CC1=O	ZINC000611307945	1075896734	/nfs/dbraw/zinc/89/67/34/1075896734.db2.gz	BPWXWOBEQLWYAH-OKZBNKHCSA-N	1	1	407.555	1.757	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611321427	1075899610	/nfs/dbraw/zinc/89/96/10/1075899610.db2.gz	OXHOTVUZFJFFBM-KGLIPLIRSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611321427	1075899616	/nfs/dbraw/zinc/89/96/16/1075899616.db2.gz	OXHOTVUZFJFFBM-KGLIPLIRSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)[C@@H](C)C1	ZINC000611401455	1075925349	/nfs/dbraw/zinc/92/53/49/1075925349.db2.gz	DTDYUUJZBQAKAL-ZDUSSCGKSA-N	1	1	401.511	1.532	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)[C@@H](C)C1	ZINC000611401455	1075925352	/nfs/dbraw/zinc/92/53/52/1075925352.db2.gz	DTDYUUJZBQAKAL-ZDUSSCGKSA-N	1	1	401.511	1.532	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@@H](C)C1	ZINC000611401335	1075925400	/nfs/dbraw/zinc/92/54/00/1075925400.db2.gz	CFBSFXFFHLTFER-PXNSSMCTSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@@H](C)C1	ZINC000611401335	1075925403	/nfs/dbraw/zinc/92/54/03/1075925403.db2.gz	CFBSFXFFHLTFER-PXNSSMCTSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)[C@@H](C)C1	ZINC000611407229	1075926814	/nfs/dbraw/zinc/92/68/14/1075926814.db2.gz	AAUNIPARCVDBQJ-NSHDSACASA-N	1	1	405.455	1.053	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)[C@@H](C)C1	ZINC000611407229	1075926818	/nfs/dbraw/zinc/92/68/18/1075926818.db2.gz	AAUNIPARCVDBQJ-NSHDSACASA-N	1	1	405.455	1.053	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1	ZINC000732955619	1075931139	/nfs/dbraw/zinc/93/11/39/1075931139.db2.gz	NUBOVDBIHJUFFA-XMHGGMMESA-N	1	1	410.474	1.377	20	0		HDADMO
CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000732981514	1075936114	/nfs/dbraw/zinc/93/61/14/1075936114.db2.gz	AEIUDLHODGDSGD-LJQANCHMSA-N	1	1	402.539	1.930	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1	ZINC000732989124	1075940986	/nfs/dbraw/zinc/94/09/86/1075940986.db2.gz	OIDNTYLKECKTIR-IRXDYDNUSA-N	1	1	410.559	1.550	20	0		HDADMO
COC(=O)c1cc(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)on1	ZINC000611489534	1075947994	/nfs/dbraw/zinc/94/79/94/1075947994.db2.gz	BVYLTEIHRKPAIH-UHFFFAOYSA-N	1	1	420.397	1.513	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733047356	1075953883	/nfs/dbraw/zinc/95/38/83/1075953883.db2.gz	BOGAYAZWAKTQNJ-MRXNPFEDSA-N	1	1	414.506	1.968	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1	ZINC000611531501	1075958498	/nfs/dbraw/zinc/95/84/98/1075958498.db2.gz	AKOZLGYODUEXDY-HNNXBMFYSA-N	1	1	408.495	1.979	20	0		HDADMO
COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)c1ccc(OC)cc1	ZINC000611545694	1075959546	/nfs/dbraw/zinc/95/95/46/1075959546.db2.gz	LJZXLDANBSEBDI-QGZVFWFLSA-N	1	1	423.429	1.635	20	0		HDADMO
Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1N1C(=O)CCC1=O	ZINC000733036170	1075960961	/nfs/dbraw/zinc/96/09/61/1075960961.db2.gz	NHHLWNJOWAXMOT-KRWDZBQOSA-N	1	1	400.479	1.977	20	0		HDADMO
Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccccc1F	ZINC001079303848	1075968716	/nfs/dbraw/zinc/96/87/16/1075968716.db2.gz	DKWLCEXMZQSGKD-FHVBJURUSA-N	1	1	411.481	1.462	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2nc(Cc3ccccc3)no2)CC1=O	ZINC000733139830	1075973419	/nfs/dbraw/zinc/97/34/19/1075973419.db2.gz	SEUHXPHOSRBTDL-ROUUACIJSA-N	1	1	411.506	1.609	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CCOC2=O)CC1=O	ZINC000733143188	1075975280	/nfs/dbraw/zinc/97/52/80/1075975280.db2.gz	BUBNKZRYYSXZKT-HZPDHXFCSA-N	1	1	400.479	1.915	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCC[C@@H]3C[NH+]3C[C@@H](C)O[C@H](C)C3)c2C)no1	ZINC000506851384	1075977312	/nfs/dbraw/zinc/97/73/12/1075977312.db2.gz	NPPYPYRRLARVMG-IIDMSEBBSA-N	1	1	402.499	1.645	20	0		HDADMO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O	ZINC000733126392	1075978787	/nfs/dbraw/zinc/97/87/87/1075978787.db2.gz	YAYKDSSOYNZHAQ-WIYYLYMNSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O	ZINC000733126392	1075978794	/nfs/dbraw/zinc/97/87/94/1075978794.db2.gz	YAYKDSSOYNZHAQ-WIYYLYMNSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1=O	ZINC000733135867	1075981708	/nfs/dbraw/zinc/98/17/08/1075981708.db2.gz	KZLKWDYGGNMDRC-IRXDYDNUSA-N	1	1	410.559	1.692	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2nc3cc(F)ccc3n2C)CC1=O	ZINC000733155142	1075989221	/nfs/dbraw/zinc/98/92/21/1075989221.db2.gz	QZKOMMCCIQIFGO-GDBMZVCRSA-N	1	1	401.486	1.661	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H](O)CN2CCOC[C@H]2c2nnc(-c3ccccc3)o2)C[C@@H](C)O1	ZINC000510954508	1075992045	/nfs/dbraw/zinc/99/20/45/1075992045.db2.gz	UTDSDFPTFIMFKI-FPAYPSAMSA-N	1	1	402.495	1.580	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)no1	ZINC000511227407	1075993262	/nfs/dbraw/zinc/99/32/62/1075993262.db2.gz	BWBZLXLQNGJDLI-WMLDXEAASA-N	1	1	404.515	1.415	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCN2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1	ZINC000511822860	1075999068	/nfs/dbraw/zinc/99/90/68/1075999068.db2.gz	IVGLAGIZBNJMKJ-XPNTWCBSSA-N	1	1	404.599	1.206	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCN2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1	ZINC000511822860	1075999075	/nfs/dbraw/zinc/99/90/75/1075999075.db2.gz	IVGLAGIZBNJMKJ-XPNTWCBSSA-N	1	1	404.599	1.206	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000733170757	1076000513	/nfs/dbraw/zinc/00/05/13/1076000513.db2.gz	RQDVEATVEFYMIC-HOTGVXAUSA-N	1	1	400.589	1.686	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000733170034	1076000713	/nfs/dbraw/zinc/00/07/13/1076000713.db2.gz	IZIMIRSEVODOQQ-HUUCEWRRSA-N	1	1	408.465	1.540	20	0		HDADMO
C[C@@H](c1ccccc1)[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1	ZINC000512243165	1076000898	/nfs/dbraw/zinc/00/08/98/1076000898.db2.gz	JLJAUAFSZAJNMO-IBGZPJMESA-N	1	1	414.550	1.215	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[N@H+]1CCC[C@@H]1C	ZINC001081101854	1076001878	/nfs/dbraw/zinc/00/18/78/1076001878.db2.gz	RQCJENDGRBZETI-MZNRPPOFSA-N	1	1	403.567	1.981	20	0		HDADMO
CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)CS(=O)(=O)CC	ZINC000733196018	1076002053	/nfs/dbraw/zinc/00/20/53/1076002053.db2.gz	DECVHNRIIBMEPC-KRWDZBQOSA-N	1	1	411.568	1.997	20	0		HDADMO
CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)CS(=O)(=O)CC	ZINC000733196018	1076002055	/nfs/dbraw/zinc/00/20/55/1076002055.db2.gz	DECVHNRIIBMEPC-KRWDZBQOSA-N	1	1	411.568	1.997	20	0		HDADMO
CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2ccccc2)n1C	ZINC001081148622	1076002737	/nfs/dbraw/zinc/00/27/37/1076002737.db2.gz	SYIMBOFJOORZEX-HWWAQUKGSA-N	1	1	421.545	1.885	20	0		HDADMO
COC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1	ZINC000733197173	1076003576	/nfs/dbraw/zinc/00/35/76/1076003576.db2.gz	PSJRHCJWIPXVSO-OAHLLOKOSA-N	1	1	408.524	1.454	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1	ZINC000733197173	1076003586	/nfs/dbraw/zinc/00/35/86/1076003586.db2.gz	PSJRHCJWIPXVSO-OAHLLOKOSA-N	1	1	408.524	1.454	20	0		HDADMO
COC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1	ZINC000733185047	1076012274	/nfs/dbraw/zinc/01/22/74/1076012274.db2.gz	PKUXCHRIYWLPLV-QVKFZJNVSA-N	1	1	416.478	1.726	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1	ZINC000733185047	1076012281	/nfs/dbraw/zinc/01/22/81/1076012281.db2.gz	PKUXCHRIYWLPLV-QVKFZJNVSA-N	1	1	416.478	1.726	20	0		HDADMO
c1cc(N2CCCC2)nc(N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)[nH+]1	ZINC000733192430	1076013431	/nfs/dbraw/zinc/01/34/31/1076013431.db2.gz	YYQITFOSBNSLOA-QGZVFWFLSA-N	1	1	410.526	1.784	20	0		HDADMO
CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC[NH+](Cc2ccccc2)CC1	ZINC000733227025	1076015811	/nfs/dbraw/zinc/01/58/11/1076015811.db2.gz	BOFJZTQXJBSLGY-UHFFFAOYSA-N	1	1	414.531	1.607	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3CC)C2)no1	ZINC000514033798	1076017356	/nfs/dbraw/zinc/01/73/56/1076017356.db2.gz	YXOQONBEWZAMRF-IRXDYDNUSA-N	1	1	406.531	1.639	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001081958656	1076019133	/nfs/dbraw/zinc/01/91/33/1076019133.db2.gz	YZXPREFBOBBSFM-QVWMHLQHSA-N	1	1	402.491	1.588	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001081958656	1076019137	/nfs/dbraw/zinc/01/91/37/1076019137.db2.gz	YZXPREFBOBBSFM-QVWMHLQHSA-N	1	1	402.491	1.588	20	0		HDADMO
CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1	ZINC000733253223	1076024111	/nfs/dbraw/zinc/02/41/11/1076024111.db2.gz	WZGKVTDQXUKIID-SFHVURJKSA-N	1	1	404.536	1.453	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Oc2ccc(NC(=O)COC)cc2)CC1=O	ZINC000733270252	1076025705	/nfs/dbraw/zinc/02/57/05/1076025705.db2.gz	MGKWZMWVTKSJHW-NVXWUHKLSA-N	1	1	403.479	1.510	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1	ZINC000727038307	1076031803	/nfs/dbraw/zinc/03/18/03/1076031803.db2.gz	NRNDICYUWHSFJF-UHFFFAOYSA-N	1	1	402.418	1.411	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(=NNC(=S)NCC(C)(C)C[NH+](C)C)[nH]c1	ZINC000727068120	1076037641	/nfs/dbraw/zinc/03/76/41/1076037641.db2.gz	YVZVMQKEVDINTB-UHFFFAOYSA-N	1	1	416.617	1.491	20	0		HDADMO
COc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc(OC)c1OCC(N)=O	ZINC000733329154	1076044870	/nfs/dbraw/zinc/04/48/70/1076044870.db2.gz	OBWDYMPIHBKEBH-QGZVFWFLSA-N	1	1	407.511	1.301	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1	ZINC000733352641	1076050039	/nfs/dbraw/zinc/05/00/39/1076050039.db2.gz	WAUDRLHDFKUWDC-QGZVFWFLSA-N	1	1	403.593	1.165	20	0		HDADMO
CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1	ZINC000727135150	1076050969	/nfs/dbraw/zinc/05/09/69/1076050969.db2.gz	RJZSOABRYHTKRE-KRWDZBQOSA-N	1	1	410.559	1.692	20	0		HDADMO
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCn2cc[nH+]c2C(C)C)cc1	ZINC000733360184	1076051880	/nfs/dbraw/zinc/05/18/80/1076051880.db2.gz	OAJHRNUXLXGXFO-UHFFFAOYSA-N	1	1	421.523	1.450	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)N(CC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)ccc12	ZINC000733368172	1076054956	/nfs/dbraw/zinc/05/49/56/1076054956.db2.gz	SJTDVKUBYCSTLO-OAHLLOKOSA-N	1	1	422.503	1.058	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1ccc(Cl)cc1Br	ZINC000733370122	1076056872	/nfs/dbraw/zinc/05/68/72/1076056872.db2.gz	VMCLIKXYIDLRSF-UHFFFAOYSA-N	1	1	402.720	1.877	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1	ZINC000053502561	1076057421	/nfs/dbraw/zinc/05/74/21/1076057421.db2.gz	VQLQSDJCXHCLFF-UHFFFAOYSA-N	1	1	416.547	1.712	20	0		HDADMO
CC[N@@H+]1CCc2[nH]c(=NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)sc2C1	ZINC000021296278	1076062362	/nfs/dbraw/zinc/06/23/62/1076062362.db2.gz	FWQGCVRSVITWGB-UHFFFAOYSA-N	1	1	408.549	1.287	20	0		HDADMO
CC[N@H+]1CCc2[nH]c(=NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)sc2C1	ZINC000021296278	1076062366	/nfs/dbraw/zinc/06/23/66/1076062366.db2.gz	FWQGCVRSVITWGB-UHFFFAOYSA-N	1	1	408.549	1.287	20	0		HDADMO
Cc1nc2n(n1)C[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CC2	ZINC000727223353	1076084126	/nfs/dbraw/zinc/08/41/26/1076084126.db2.gz	APOOOCLQRNQXLD-INIZCTEOSA-N	1	1	421.546	1.143	20	0		HDADMO
CN(C)C(=O)C1CC[NH+](CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1	ZINC000727238033	1076087630	/nfs/dbraw/zinc/08/76/30/1076087630.db2.gz	UBWZDIWRPAZBOL-UHFFFAOYSA-N	1	1	412.490	1.948	20	0		HDADMO
Cc1ccc(C(=O)N2CCC(NC(=S)NCCC[NH+]3CCOCC3)CC2)cc1	ZINC000727281736	1076089872	/nfs/dbraw/zinc/08/98/72/1076089872.db2.gz	UCDBZHATPPSASC-UHFFFAOYSA-N	1	1	404.580	1.786	20	0		HDADMO
C[C@H](NC(=S)NCCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000727287757	1076092679	/nfs/dbraw/zinc/09/26/79/1076092679.db2.gz	PCMCFJZPLZEIMA-HNNXBMFYSA-N	1	1	414.597	1.184	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)NNC(=S)NCCCN(C)c1ccccc1	ZINC000727290979	1076092884	/nfs/dbraw/zinc/09/28/84/1076092884.db2.gz	SEVRDQWQUKNLGU-QGZVFWFLSA-N	1	1	408.641	1.840	20	0		HDADMO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)CN(C)C(=O)C2CC2)CC1	ZINC000733516676	1076093037	/nfs/dbraw/zinc/09/30/37/1076093037.db2.gz	FCPRZOOTWNMLQS-UHFFFAOYSA-N	1	1	401.507	1.441	20	0		HDADMO
CCNC(=O)NC(=O)COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000733530942	1076095522	/nfs/dbraw/zinc/09/55/22/1076095522.db2.gz	LYRTVFOOHJUEPL-KRWDZBQOSA-N	1	1	401.385	1.830	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1	ZINC000727434273	1076128906	/nfs/dbraw/zinc/12/89/06/1076128906.db2.gz	HNMSQHVKTZBBLK-MFOYZWKCSA-N	1	1	413.446	1.815	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1	ZINC000727434273	1076128910	/nfs/dbraw/zinc/12/89/10/1076128910.db2.gz	HNMSQHVKTZBBLK-MFOYZWKCSA-N	1	1	413.446	1.815	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNS(=O)(=O)/C=C\c2cccc(Br)c2)CC1	ZINC000727450752	1076131297	/nfs/dbraw/zinc/13/12/97/1076131297.db2.gz	JRTODXGXLYSYCA-SDQBBNPISA-N	1	1	416.341	1.503	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1F	ZINC000727609246	1076179184	/nfs/dbraw/zinc/17/91/84/1076179184.db2.gz	XEDKOPXTUQXMPB-CQSZACIVSA-N	1	1	410.446	1.416	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	ZINC000733781487	1076204444	/nfs/dbraw/zinc/20/44/44/1076204444.db2.gz	ZLTOMCSTOAYUJC-DLBZAZTESA-N	1	1	406.552	1.597	20	0		HDADMO
CCOC(=O)C1=C(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)NC(=O)N[C@H]1c1ccco1	ZINC000733795130	1076215454	/nfs/dbraw/zinc/21/54/54/1076215454.db2.gz	APNDRPWGVBATEM-GUYCJALGSA-N	1	1	417.462	1.726	20	0		HDADMO
C[C@@H](CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)[N@@H+](C)C1CC1	ZINC000727741650	1076216489	/nfs/dbraw/zinc/21/64/89/1076216489.db2.gz	FFUXFQVSIYBORD-NSHDSACASA-N	1	1	418.357	1.912	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)Cc3csc(-c4nc[nH]n4)n3)cc2)CC1	ZINC000727766960	1076220652	/nfs/dbraw/zinc/22/06/52/1076220652.db2.gz	MULAVFNUUNVWOO-UHFFFAOYSA-N	1	1	411.535	1.535	20	0		HDADMO
O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000727768154	1076221680	/nfs/dbraw/zinc/22/16/80/1076221680.db2.gz	YEPMURBWYCOGIA-UHFFFAOYSA-N	1	1	418.445	1.584	20	0		HDADMO
C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)CN1CC[NH+](C)CC1	ZINC000733882524	1076237962	/nfs/dbraw/zinc/23/79/62/1076237962.db2.gz	QTFUQQFQDMEOMW-CQSZACIVSA-N	1	1	416.975	1.204	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCC[N@@H+](C)CC2)ccc1Cl	ZINC000733882465	1076238038	/nfs/dbraw/zinc/23/80/38/1076238038.db2.gz	OIEHBWPNJIMKRK-UHFFFAOYSA-N	1	1	416.975	1.348	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)ccc1Cl	ZINC000733882465	1076238041	/nfs/dbraw/zinc/23/80/41/1076238041.db2.gz	OIEHBWPNJIMKRK-UHFFFAOYSA-N	1	1	416.975	1.348	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCCN(C)CC2)ccc1Cl	ZINC000733882465	1076238046	/nfs/dbraw/zinc/23/80/46/1076238046.db2.gz	OIEHBWPNJIMKRK-UHFFFAOYSA-N	1	1	416.975	1.348	20	0		HDADMO
Cn1cc(C(=O)NCC2CCN(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)cn1	ZINC000533846941	1076245917	/nfs/dbraw/zinc/24/59/17/1076245917.db2.gz	CBOMWDNRPWJAAL-FQEVSTJZSA-N	1	1	410.522	1.758	20	0		HDADMO
Cn1cc(C(=O)NCC2CCN(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)cn1	ZINC000533846941	1076245924	/nfs/dbraw/zinc/24/59/24/1076245924.db2.gz	CBOMWDNRPWJAAL-FQEVSTJZSA-N	1	1	410.522	1.758	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000533833397	1076245934	/nfs/dbraw/zinc/24/59/34/1076245934.db2.gz	UPBDGOLRSSQKPI-LJQANCHMSA-N	1	1	415.515	1.624	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000533833397	1076245940	/nfs/dbraw/zinc/24/59/40/1076245940.db2.gz	UPBDGOLRSSQKPI-LJQANCHMSA-N	1	1	415.515	1.624	20	0		HDADMO
Cc1nn(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1S(=O)(=O)NC(C)(C)C	ZINC000535121653	1076249980	/nfs/dbraw/zinc/24/99/80/1076249980.db2.gz	RXCXWZNJHDWVMY-XJKCOSOUSA-N	1	1	402.561	1.047	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000535263516	1076250439	/nfs/dbraw/zinc/25/04/39/1076250439.db2.gz	ABFAIEXIQDZOSK-APWZRJJASA-N	1	1	420.521	1.827	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000535263516	1076250446	/nfs/dbraw/zinc/25/04/46/1076250446.db2.gz	ABFAIEXIQDZOSK-APWZRJJASA-N	1	1	420.521	1.827	20	0		HDADMO
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000535268148	1076250925	/nfs/dbraw/zinc/25/09/25/1076250925.db2.gz	FQBQRJUAHLOMDH-IBGZPJMESA-N	1	1	410.518	1.906	20	0		HDADMO
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535268148	1076250930	/nfs/dbraw/zinc/25/09/30/1076250930.db2.gz	FQBQRJUAHLOMDH-IBGZPJMESA-N	1	1	410.518	1.906	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1	ZINC000535269078	1076251015	/nfs/dbraw/zinc/25/10/15/1076251015.db2.gz	KCJMNELCBQVJMH-NHCUHLMSSA-N	1	1	407.518	1.727	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1	ZINC000535269078	1076251018	/nfs/dbraw/zinc/25/10/18/1076251018.db2.gz	KCJMNELCBQVJMH-NHCUHLMSSA-N	1	1	407.518	1.727	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C1	ZINC000535274511	1076251270	/nfs/dbraw/zinc/25/12/70/1076251270.db2.gz	DNOBGRAITCBPTQ-GOSISDBHSA-N	1	1	402.454	1.927	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C1	ZINC000535274511	1076251275	/nfs/dbraw/zinc/25/12/75/1076251275.db2.gz	DNOBGRAITCBPTQ-GOSISDBHSA-N	1	1	402.454	1.927	20	0		HDADMO
CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3CS(N)(=O)=O)cc(=O)oc2c1	ZINC000733895366	1076255897	/nfs/dbraw/zinc/25/58/97/1076255897.db2.gz	VNZHATWPKJKRNC-AWEZNQCLSA-N	1	1	409.464	1.614	20	0		HDADMO
CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]3CS(N)(=O)=O)cc(=O)oc2c1	ZINC000733895366	1076255901	/nfs/dbraw/zinc/25/59/01/1076255901.db2.gz	VNZHATWPKJKRNC-AWEZNQCLSA-N	1	1	409.464	1.614	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000144321464	1076256122	/nfs/dbraw/zinc/25/61/22/1076256122.db2.gz	KNBQZPIFBNZDNN-HZPDHXFCSA-N	1	1	416.522	1.380	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000144321464	1076256126	/nfs/dbraw/zinc/25/61/26/1076256126.db2.gz	KNBQZPIFBNZDNN-HZPDHXFCSA-N	1	1	416.522	1.380	20	0		HDADMO
C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1	ZINC000144318348	1076256183	/nfs/dbraw/zinc/25/61/83/1076256183.db2.gz	XYCCVERVKYJVQF-HNNXBMFYSA-N	1	1	403.483	1.168	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000144331659	1076256841	/nfs/dbraw/zinc/25/68/41/1076256841.db2.gz	BTLZHHSCMLJPQY-HUUCEWRRSA-N	1	1	402.944	1.977	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000144331659	1076256842	/nfs/dbraw/zinc/25/68/42/1076256842.db2.gz	BTLZHHSCMLJPQY-HUUCEWRRSA-N	1	1	402.944	1.977	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[N@H+](C(C)C)CC3)C2=O)cc1	ZINC000727806935	1076260048	/nfs/dbraw/zinc/26/00/48/1076260048.db2.gz	LZQWALVZCFZOBB-NRFANRHFSA-N	1	1	402.495	1.405	20	0		HDADMO
O=C1NC2(CCOCC2)C(=O)N1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1	ZINC000727815887	1076262017	/nfs/dbraw/zinc/26/20/17/1076262017.db2.gz	FWGKDUIZKGACJA-UHFFFAOYSA-N	1	1	422.913	1.395	20	0		HDADMO
COCCS(=O)(=O)CCC[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000727827653	1076262537	/nfs/dbraw/zinc/26/25/37/1076262537.db2.gz	BDGMQGLEXKGBPZ-UHFFFAOYSA-N	1	1	414.543	1.914	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1	ZINC000727828817	1076263245	/nfs/dbraw/zinc/26/32/45/1076263245.db2.gz	NSTBMTFBLARPGH-LJQANCHMSA-N	1	1	402.539	1.884	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(Cc3ccccc3)CC2)CC1	ZINC000727828817	1076263248	/nfs/dbraw/zinc/26/32/48/1076263248.db2.gz	NSTBMTFBLARPGH-LJQANCHMSA-N	1	1	402.539	1.884	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(Cc3ccccc3)CC2)CC1	ZINC000727828817	1076263254	/nfs/dbraw/zinc/26/32/54/1076263254.db2.gz	NSTBMTFBLARPGH-LJQANCHMSA-N	1	1	402.539	1.884	20	0		HDADMO
CC(C)[C@@H](CNC(=O)c1cnn(C)c1I)N1CC[NH+](C)CC1	ZINC000379102054	1076265165	/nfs/dbraw/zinc/26/51/65/1076265165.db2.gz	FVRWFRPQGZUIFM-CYBMUJFWSA-N	1	1	419.311	1.027	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1	ZINC000733975703	1076280097	/nfs/dbraw/zinc/28/00/97/1076280097.db2.gz	JUNWGPYKILNBKC-UHFFFAOYSA-N	1	1	414.547	1.224	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)COCc2ccccc2)CC1	ZINC000733995252	1076287280	/nfs/dbraw/zinc/28/72/80/1076287280.db2.gz	GPRSKDFDIXHCAG-HKUYNNGSSA-N	1	1	407.511	1.185	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCCOc3cccnc3)c2)C1	ZINC000734010738	1076289350	/nfs/dbraw/zinc/28/93/50/1076289350.db2.gz	ICMYXALUPHCXFN-IBGZPJMESA-N	1	1	411.506	1.657	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc(OC3CCCC3)cc2)C1	ZINC000728060967	1076314610	/nfs/dbraw/zinc/31/46/10/1076314610.db2.gz	XQFWWSDTVSMCPZ-MRXNPFEDSA-N	1	1	409.552	1.874	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@H]21	ZINC001083151612	1076317263	/nfs/dbraw/zinc/31/72/63/1076317263.db2.gz	IKZFUQVRHXPXON-ALGQRKQJSA-N	1	1	404.482	1.619	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@H]21	ZINC001083151612	1076317269	/nfs/dbraw/zinc/31/72/69/1076317269.db2.gz	IKZFUQVRHXPXON-ALGQRKQJSA-N	1	1	404.482	1.619	20	0		HDADMO
Cc1ccccc1[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000728042586	1076317702	/nfs/dbraw/zinc/31/77/02/1076317702.db2.gz	MJXMQNMUQILCQM-VGOFRKELSA-N	1	1	414.506	1.290	20	0		HDADMO
Cc1ccccc1[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000728042586	1076317710	/nfs/dbraw/zinc/31/77/10/1076317710.db2.gz	MJXMQNMUQILCQM-VGOFRKELSA-N	1	1	414.506	1.290	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)NC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000728052662	1076320102	/nfs/dbraw/zinc/32/01/02/1076320102.db2.gz	ATGCYOFEDRZTGS-AWEZNQCLSA-N	1	1	405.451	1.581	20	0		HDADMO
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)CC2)C1	ZINC000728053699	1076320527	/nfs/dbraw/zinc/32/05/27/1076320527.db2.gz	PZUXLUNCFQEZOG-IEBWSBKVSA-N	1	1	407.555	1.568	20	0		HDADMO
Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3OCCO3)C2)c(=O)n(-c2ccccc2)n1C	ZINC000728053423	1076320747	/nfs/dbraw/zinc/32/07/47/1076320747.db2.gz	JYIZPPVQVQBMTF-IAGOWNOFSA-N	1	1	414.506	1.896	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)CS(=O)(=O)NC1CCC(C)CC1	ZINC000728071474	1076332553	/nfs/dbraw/zinc/33/25/53/1076332553.db2.gz	PUOWYJFFIVXZSB-UHFFFAOYSA-N	1	1	405.524	1.690	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000728073729	1076333330	/nfs/dbraw/zinc/33/33/30/1076333330.db2.gz	XSWKVLCMRUKJQF-IFORROHYSA-N	1	1	410.584	1.303	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2nc(NCc3ccco3)ncc2Cl)C1	ZINC000728078115	1076334910	/nfs/dbraw/zinc/33/49/10/1076334910.db2.gz	TUTNGMNFBWBZNR-ZDUSSCGKSA-N	1	1	420.901	1.652	20	0		HDADMO
CC(C)(C)NC(=O)CCNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000728127312	1076338702	/nfs/dbraw/zinc/33/87/02/1076338702.db2.gz	ACEFFXBTCSKOOA-UHFFFAOYSA-N	1	1	413.563	1.533	20	0		HDADMO
COc1ccc(C[N@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1	ZINC000027346994	1076359216	/nfs/dbraw/zinc/35/92/16/1076359216.db2.gz	OOYKIKUVQPFHMB-CQSZACIVSA-N	1	1	403.504	1.752	20	0		HDADMO
COc1ccc(C[N@@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1	ZINC000027346994	1076359223	/nfs/dbraw/zinc/35/92/23/1076359223.db2.gz	OOYKIKUVQPFHMB-CQSZACIVSA-N	1	1	403.504	1.752	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000027571479	1076360374	/nfs/dbraw/zinc/36/03/74/1076360374.db2.gz	PJPHTIWHRPPVCL-SFHVURJKSA-N	1	1	424.501	1.915	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(CCC(N)=O)n2C)CC1	ZINC000029619558	1076363097	/nfs/dbraw/zinc/36/30/97/1076363097.db2.gz	CMKGYVYLELNJKK-HNNXBMFYSA-N	1	1	416.551	1.231	20	0		HDADMO
O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N(C1CC1)C1CCCC1	ZINC001084531626	1076368942	/nfs/dbraw/zinc/36/89/42/1076368942.db2.gz	VRKOXVILBUTLLC-FEZKWAHGSA-N	1	1	413.562	1.876	20	0		HDADMO
O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N(C1CC1)C1CCCC1	ZINC001084531626	1076368955	/nfs/dbraw/zinc/36/89/55/1076368955.db2.gz	VRKOXVILBUTLLC-FEZKWAHGSA-N	1	1	413.562	1.876	20	0		HDADMO
COc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)cc1	ZINC001084540446	1076370176	/nfs/dbraw/zinc/37/01/76/1076370176.db2.gz	CWTZFRGROXYLTK-OCFWJZSCSA-N	1	1	400.519	1.822	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccc(I)o1	ZINC000730227401	1076485203	/nfs/dbraw/zinc/48/52/03/1076485203.db2.gz	DLOMNLUIQGFWTM-TXNVCOODSA-N	1	1	403.264	1.650	20	0		HDADMO
C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000730261592	1076502501	/nfs/dbraw/zinc/50/25/01/1076502501.db2.gz	OAMHNNQAEJQOPP-LUQKVYGDSA-N	1	1	402.495	1.196	20	0		HDADMO
C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000730261592	1076502504	/nfs/dbraw/zinc/50/25/04/1076502504.db2.gz	OAMHNNQAEJQOPP-LUQKVYGDSA-N	1	1	402.495	1.196	20	0		HDADMO
COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000730266714	1076507518	/nfs/dbraw/zinc/50/75/18/1076507518.db2.gz	ZYMSRQJTDFSUGM-ZIAGYGMSSA-N	1	1	400.520	1.472	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730275519	1076518445	/nfs/dbraw/zinc/51/84/45/1076518445.db2.gz	KLVIHSWPDUXHGL-QGZVFWFLSA-N	1	1	418.513	1.581	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730275519	1076518450	/nfs/dbraw/zinc/51/84/50/1076518450.db2.gz	KLVIHSWPDUXHGL-QGZVFWFLSA-N	1	1	418.513	1.581	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000730309435	1076525470	/nfs/dbraw/zinc/52/54/70/1076525470.db2.gz	HUJLQLGXXLAMFZ-LJQANCHMSA-N	1	1	419.547	1.494	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000730317834	1076535777	/nfs/dbraw/zinc/53/57/77/1076535777.db2.gz	PREJJTYWWACCPC-RYQLBKOJSA-N	1	1	419.547	1.620	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1	ZINC000730381324	1076553168	/nfs/dbraw/zinc/55/31/68/1076553168.db2.gz	IXDOCYKQDVZNQT-CQSZACIVSA-N	1	1	405.524	1.639	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000730561512	1076603406	/nfs/dbraw/zinc/60/34/06/1076603406.db2.gz	GWTSWJBSNANILY-PVKQIQIRSA-N	1	1	409.538	1.608	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000730593451	1076610599	/nfs/dbraw/zinc/61/05/99/1076610599.db2.gz	TVUZUQBXQUDCKH-QGZVFWFLSA-N	1	1	414.554	1.049	20	0		HDADMO
O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000730774232	1076649771	/nfs/dbraw/zinc/64/97/71/1076649771.db2.gz	SSYZRNFCCRUOQZ-QGZVFWFLSA-N	1	1	406.552	1.772	20	0		HDADMO
CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@@H+](CCOC)C2)cc1	ZINC000730841121	1076670769	/nfs/dbraw/zinc/67/07/69/1076670769.db2.gz	BLOKMKSIHVCBLW-INIZCTEOSA-N	1	1	419.551	1.860	20	0		HDADMO
C[C@H](NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nnc2n1CCC2	ZINC000730935398	1076696094	/nfs/dbraw/zinc/69/60/94/1076696094.db2.gz	SUPHHXKJOWVJDF-HNNXBMFYSA-N	1	1	421.546	1.527	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1	ZINC000730936557	1076696498	/nfs/dbraw/zinc/69/64/98/1076696498.db2.gz	MMASGKFRKWBNAD-HNNXBMFYSA-N	1	1	404.536	1.306	20	0		HDADMO
CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000730938047	1076698597	/nfs/dbraw/zinc/69/85/97/1076698597.db2.gz	OYILHYDIIYKUGU-UHFFFAOYSA-N	1	1	409.533	1.306	20	0		HDADMO
O=S(=O)(c1ccc(NC(=S)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1)N1CCOCC1	ZINC000730958639	1076700943	/nfs/dbraw/zinc/70/09/43/1076700943.db2.gz	ZOMKFZQUKZYPLJ-KRWDZBQOSA-N	1	1	424.592	1.478	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNS(=O)(=O)c3ccc(Cl)nc3)c2)C1	ZINC000731037448	1076715719	/nfs/dbraw/zinc/71/57/19/1076715719.db2.gz	MRMGGUZIRMTVHM-MRXNPFEDSA-N	1	1	422.938	1.911	20	0		HDADMO
COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1	ZINC000731108312	1076728768	/nfs/dbraw/zinc/72/87/68/1076728768.db2.gz	KCIWEDMOKWRQBK-KRWDZBQOSA-N	1	1	403.527	1.445	20	0		HDADMO
COCC[N@H+](CCOc1ccc(F)cc1)CC(=O)NC1CCC2(CC1)OCCO2	ZINC000731214571	1076749317	/nfs/dbraw/zinc/74/93/17/1076749317.db2.gz	JBTTVPVEKSBJCP-UHFFFAOYSA-N	1	1	410.486	1.955	20	0		HDADMO
COCC[N@@H+](CCOc1ccc(F)cc1)CC(=O)NC1CCC2(CC1)OCCO2	ZINC000731214571	1076749322	/nfs/dbraw/zinc/74/93/22/1076749322.db2.gz	JBTTVPVEKSBJCP-UHFFFAOYSA-N	1	1	410.486	1.955	20	0		HDADMO
Cn1cc(/C=C/C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)c(=O)n(C)c1=O	ZINC000731198829	1076751515	/nfs/dbraw/zinc/75/15/15/1076751515.db2.gz	IWNNJSQMIXECCS-CMDGGOBGSA-N	1	1	418.538	1.027	20	0		HDADMO
CN(C)c1nc(N)nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1	ZINC001460423841	1126191097	/nfs/dbraw/zinc/19/10/97/1126191097.db2.gz	QIJLHGQHDBPUQO-KRWDZBQOSA-N	1	1	407.316	1.292	20	0		HDADMO
CN(C)c1nc(N)nc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1	ZINC000328604302	571310776	/nfs/dbraw/zinc/31/07/76/571310776.db2.gz	JHWAOIAIEUIWSH-QVKFZJNVSA-N	1	1	406.494	2.124	20	0		HDADMO
CN(C)c1nc(N)nc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1	ZINC000328604302	571310777	/nfs/dbraw/zinc/31/07/77/571310777.db2.gz	JHWAOIAIEUIWSH-QVKFZJNVSA-N	1	1	406.494	2.124	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4ncccc43)CC2)C1=O	ZINC001164633832	719270085	/nfs/dbraw/zinc/27/00/85/719270085.db2.gz	IOVOOEACWHOEMV-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4ncccc43)CC2)C1=O	ZINC001164633832	719270089	/nfs/dbraw/zinc/27/00/89/719270089.db2.gz	IOVOOEACWHOEMV-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
COCCN1CCN(C)C2(CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1=O	ZINC001164642185	719279719	/nfs/dbraw/zinc/27/97/19/719279719.db2.gz	YCQOWWBVKMGBIC-UHFFFAOYSA-N	1	1	402.543	1.226	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(C4CCC4)nc4[nH]ccc43)CC2)C1=O	ZINC001164644112	719285638	/nfs/dbraw/zinc/28/56/38/719285638.db2.gz	DHCNKRZJFZDJFW-UHFFFAOYSA-N	1	1	412.538	1.985	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(C4CCC4)nc4[nH]ccc43)CC2)C1=O	ZINC001164644112	719285642	/nfs/dbraw/zinc/28/56/42/719285642.db2.gz	DHCNKRZJFZDJFW-UHFFFAOYSA-N	1	1	412.538	1.985	20	0		HDADMO
Cc1cc2c(ncnc2N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1S(=O)(=O)c1ccccc1	ZINC001164669560	719380169	/nfs/dbraw/zinc/38/01/69/719380169.db2.gz	RCEIEELSYURJPU-QZTJIDSGSA-N	1	1	413.503	1.496	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2	ZINC001164685942	719716360	/nfs/dbraw/zinc/71/63/60/719716360.db2.gz	VWXZEIGSCKHKSZ-UHFFFAOYSA-N	1	1	422.533	1.543	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)CC2	ZINC001164684742	719734307	/nfs/dbraw/zinc/73/43/07/719734307.db2.gz	KGBZDPPBYKSHRM-SNAWJCMRSA-N	1	1	411.506	1.930	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2nc(Cl)ccc21	ZINC001164707121	719844129	/nfs/dbraw/zinc/84/41/29/719844129.db2.gz	ZLCVNKZGCISBRM-DJJJIMSYSA-N	1	1	405.886	1.911	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ccn2C	ZINC001164698086	719849147	/nfs/dbraw/zinc/84/91/47/719849147.db2.gz	FDKFUJCKVWTNLB-ORAYPTAESA-N	1	1	407.902	1.854	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1-c1nc(C)no1	ZINC001164702875	719869139	/nfs/dbraw/zinc/86/91/39/719869139.db2.gz	JFZAORBSBYFTCY-FOIQADDNSA-N	1	1	401.467	1.673	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1-c1nc(C)no1	ZINC001164702883	719869402	/nfs/dbraw/zinc/86/94/02/719869402.db2.gz	JFZAORBSBYFTCY-YWZLYKJASA-N	1	1	401.467	1.673	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(N3CCOCC3)n1)C2	ZINC001164812279	720089109	/nfs/dbraw/zinc/08/91/09/720089109.db2.gz	QFDCFWNCFLAMEM-JXFKEZNVSA-N	1	1	422.961	1.546	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2	ZINC001164809969	720118650	/nfs/dbraw/zinc/11/86/50/720118650.db2.gz	IZVCUJYXYIROSD-KXBFYZLASA-N	1	1	410.540	1.073	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)C2	ZINC001164808571	720120445	/nfs/dbraw/zinc/12/04/45/720120445.db2.gz	FOFAWUBTMJDPQI-IVZHQMGZSA-N	1	1	400.527	1.438	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC	ZINC001164807942	720137272	/nfs/dbraw/zinc/13/72/72/720137272.db2.gz	CZOVGABZKMVBIN-YLJYHZDGSA-N	1	1	408.568	1.565	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3C(=O)CCC3=O)cn1)C2	ZINC001164812524	720142674	/nfs/dbraw/zinc/14/26/74/720142674.db2.gz	PBNSVUBHEVOSOT-XXBNENTESA-N	1	1	412.534	1.915	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)C2	ZINC001164819930	720171663	/nfs/dbraw/zinc/17/16/63/720171663.db2.gz	YYJBGRDJLAPVSM-UWJYYQICSA-N	1	1	420.579	1.707	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cncc(SCC(=O)OC)n1)C2	ZINC001164817862	720180770	/nfs/dbraw/zinc/18/07/70/720180770.db2.gz	QPWWGLUMTDCOHO-JXFKEZNVSA-N	1	1	406.552	1.926	20	0		HDADMO
Cn1nnc2c1CCN(c1nc3[nH]cnc3cc1Cl)[C@@H]2COCC[NH+]1CCCC1	ZINC001164719163	720187486	/nfs/dbraw/zinc/18/74/86/720187486.db2.gz	SXKYARKUGNWEND-MRXNPFEDSA-N	1	1	416.917	1.956	20	0		HDADMO
CCOC(=O)/C=C/c1cccnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2	ZINC001164719650	720217562	/nfs/dbraw/zinc/21/75/62/720217562.db2.gz	RXWDHFIOIPSCEM-VQKOGROQSA-N	1	1	416.522	1.323	20	0		HDADMO
CCOC(=O)/C=C/c1cccnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2	ZINC001164719650	720217566	/nfs/dbraw/zinc/21/75/66/720217566.db2.gz	RXWDHFIOIPSCEM-VQKOGROQSA-N	1	1	416.522	1.323	20	0		HDADMO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1S(C)(=O)=O)CCC2	ZINC001164814769	720217792	/nfs/dbraw/zinc/21/77/92/720217792.db2.gz	YWKKARIZQVIUDJ-UHFFFAOYSA-N	1	1	405.524	1.292	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1S(C)(=O)=O)CCC2	ZINC001164814769	720217798	/nfs/dbraw/zinc/21/77/98/720217798.db2.gz	YWKKARIZQVIUDJ-UHFFFAOYSA-N	1	1	405.524	1.292	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)OC(C)(C)C)ccn3)C2)C1	ZINC001164720339	720221565	/nfs/dbraw/zinc/22/15/65/720221565.db2.gz	YTMYHVVEMBYGLT-QFIPXVFZSA-N	1	1	418.538	1.702	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)OC(C)(C)C)ccn3)C2)C1	ZINC001164720339	720221571	/nfs/dbraw/zinc/22/15/71/720221571.db2.gz	YTMYHVVEMBYGLT-QFIPXVFZSA-N	1	1	418.538	1.702	20	0		HDADMO
CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(C)c1	ZINC001164720550	720232748	/nfs/dbraw/zinc/23/27/48/720232748.db2.gz	YFQUMZBZVPKWLF-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(C)c1	ZINC001164720550	720232761	/nfs/dbraw/zinc/23/27/61/720232761.db2.gz	YFQUMZBZVPKWLF-OAQYLSRUSA-N	1	1	404.511	1.232	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(SC)nc4c3CCCC4)C2)C1	ZINC001164717540	720244699	/nfs/dbraw/zinc/24/46/99/720244699.db2.gz	AQVJGXGGIFEPHO-NRFANRHFSA-N	1	1	419.595	1.742	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(SC)nc4c3CCCC4)C2)C1	ZINC001164717540	720244701	/nfs/dbraw/zinc/24/47/01/720244701.db2.gz	AQVJGXGGIFEPHO-NRFANRHFSA-N	1	1	419.595	1.742	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(Cl)c(C(=O)OC)n3)C2)C1	ZINC001164718194	720247126	/nfs/dbraw/zinc/24/71/26/720247126.db2.gz	CTXQQOCUZNJCGV-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(Cl)c(C(=O)OC)n3)C2)C1	ZINC001164718194	720247134	/nfs/dbraw/zinc/24/71/34/720247134.db2.gz	CTXQQOCUZNJCGV-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3/C=C/C(=O)OC)C2)C1	ZINC001164721607	720272790	/nfs/dbraw/zinc/27/27/90/720272790.db2.gz	LXKZVPGKZQKUTH-IOUFHMPJSA-N	1	1	416.522	1.241	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3/C=C/C(=O)OC)C2)C1	ZINC001164721607	720272797	/nfs/dbraw/zinc/27/27/97/720272797.db2.gz	LXKZVPGKZQKUTH-IOUFHMPJSA-N	1	1	416.522	1.241	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1	ZINC001164721995	720276826	/nfs/dbraw/zinc/27/68/26/720276826.db2.gz	ODXTYBRBPTZNMF-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1	ZINC001164721995	720276844	/nfs/dbraw/zinc/27/68/44/720276844.db2.gz	ODXTYBRBPTZNMF-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1	ZINC001164721529	720291898	/nfs/dbraw/zinc/29/18/98/720291898.db2.gz	KOJHJQHXZATAQS-FQEVSTJZSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1	ZINC001164721529	720291909	/nfs/dbraw/zinc/29/19/09/720291909.db2.gz	KOJHJQHXZATAQS-FQEVSTJZSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccc(F)cc4)ncn3)C2)C1	ZINC001164721603	720292151	/nfs/dbraw/zinc/29/21/51/720292151.db2.gz	LUUJCHSDKZJKEP-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccc(F)cc4)ncn3)C2)C1	ZINC001164721603	720292157	/nfs/dbraw/zinc/29/21/57/720292157.db2.gz	LUUJCHSDKZJKEP-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccsc4)nn3)C2)C1	ZINC001164724609	720300855	/nfs/dbraw/zinc/30/08/55/720300855.db2.gz	RZXRYLLAKCPFDC-HXUWFJFHSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccsc4)nn3)C2)C1	ZINC001164724609	720300860	/nfs/dbraw/zinc/30/08/60/720300860.db2.gz	RZXRYLLAKCPFDC-HXUWFJFHSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(-c4ccc(F)cc4)n3)C2)C1	ZINC001164725003	720304351	/nfs/dbraw/zinc/30/43/51/720304351.db2.gz	USQNMHXUFCOMCG-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(-c4ccc(F)cc4)n3)C2)C1	ZINC001164725003	720304360	/nfs/dbraw/zinc/30/43/60/720304360.db2.gz	USQNMHXUFCOMCG-QFIPXVFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CC(C)[N@H+]1[C@@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)N(C)[C@H](C)C(=O)N4)CC[C@H]21	ZINC001164840709	720549557	/nfs/dbraw/zinc/54/95/57/720549557.db2.gz	SQBDZKDQKQWTTP-SFNKJDCFSA-N	1	1	424.553	1.828	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164840210	720568826	/nfs/dbraw/zinc/56/88/26/720568826.db2.gz	SDWFOCFEKREXAX-RCCFBDPRSA-N	1	1	418.567	1.564	20	0		HDADMO
COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC	ZINC001164743647	720645781	/nfs/dbraw/zinc/64/57/81/720645781.db2.gz	PXEWSKUNXAWTQI-LSDHHAIUSA-N	1	1	408.462	1.779	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164740131	720680961	/nfs/dbraw/zinc/68/09/61/720680961.db2.gz	QGZRKTGQSDYARI-KBPBESRZSA-N	1	1	418.885	1.368	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739027	720746566	/nfs/dbraw/zinc/74/65/66/720746566.db2.gz	HRZOOKHZVAHRLW-NWDGAFQWSA-N	1	1	424.839	1.511	20	0		HDADMO
NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164739027	720746576	/nfs/dbraw/zinc/74/65/76/720746576.db2.gz	HRZOOKHZVAHRLW-NWDGAFQWSA-N	1	1	424.839	1.511	20	0		HDADMO
Cc1cc(NC(=O)c2cccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)no1	ZINC001164743428	720755521	/nfs/dbraw/zinc/75/55/21/720755521.db2.gz	QBZBCVIGIAJPHJ-HZPDHXFCSA-N	1	1	421.461	1.762	20	0		HDADMO
c1nc2c(ncnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1-c1ccccc1	ZINC001164751988	720797389	/nfs/dbraw/zinc/79/73/89/720797389.db2.gz	YIYQFHRCTHKXBP-QZTJIDSGSA-N	1	1	414.473	1.947	20	0		HDADMO
COc1cc(OC)c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164744928	720804393	/nfs/dbraw/zinc/80/43/93/720804393.db2.gz	JTDIOPFQIUBEPC-HOCLYGCPSA-N	1	1	408.462	1.779	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164747908	720806266	/nfs/dbraw/zinc/80/62/66/720806266.db2.gz	PSBFIWPVAXLQBE-CHWSQXEVSA-N	1	1	403.874	1.012	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1N	ZINC001164740170	720820641	/nfs/dbraw/zinc/82/06/41/720820641.db2.gz	JJQWPHCOIMLMGE-FRQCXROJSA-N	1	1	411.510	1.421	20	0		HDADMO
CN(C)C(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164741352	720823135	/nfs/dbraw/zinc/82/31/35/720823135.db2.gz	NMZNDMSGMKCKKB-HSALFYBXSA-N	1	1	409.538	1.754	20	0		HDADMO
O=C1COc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2N1	ZINC001164745941	720832972	/nfs/dbraw/zinc/83/29/72/720832972.db2.gz	OGYQYNCVOHCRPN-YESZJQIVSA-N	1	1	409.494	1.383	20	0		HDADMO
CN(C)c1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2nc[nH]c21	ZINC001164748263	720834637	/nfs/dbraw/zinc/83/46/37/720834637.db2.gz	SUVOCBFXGCGSGT-IXDOHACOSA-N	1	1	422.541	1.390	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)CC[C@@H]2C1	ZINC001164853281	720840967	/nfs/dbraw/zinc/84/09/67/720840967.db2.gz	NUIFXBMAZANNTK-HZPDHXFCSA-N	1	1	407.515	1.997	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC)c(OC)cc43)CC[C@@H]2C1	ZINC001164853242	720841488	/nfs/dbraw/zinc/84/14/88/720841488.db2.gz	NMNQUNSQEYWIBJ-FOIQADDNSA-N	1	1	402.495	1.821	20	0		HDADMO
CCOC(=O)c1cc2ccnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c2[nH]1	ZINC001164849627	720849671	/nfs/dbraw/zinc/84/96/71/720849671.db2.gz	CBDMKMFNUOQPAR-SJLPKXTDSA-N	1	1	402.495	1.913	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)CC[C@@H]2C1	ZINC001164859035	720865666	/nfs/dbraw/zinc/86/56/66/720865666.db2.gz	UDHKMCLTHANYAN-MSOLQXFVSA-N	1	1	424.567	1.040	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)[nH]c-2n1	ZINC001164853598	720866473	/nfs/dbraw/zinc/86/64/73/720866473.db2.gz	HVACNGXTFIMSSI-FUHWJXTLSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)nc2[nH]1	ZINC001164853598	720866474	/nfs/dbraw/zinc/86/64/74/720866474.db2.gz	HVACNGXTFIMSSI-FUHWJXTLSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cc2ccc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)nc2[nH]1	ZINC001164853598	720866476	/nfs/dbraw/zinc/86/64/76/720866476.db2.gz	HVACNGXTFIMSSI-FUHWJXTLSA-N	1	1	402.495	1.913	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)nc3OC)CC[C@H]2C1	ZINC001164852320	720870402	/nfs/dbraw/zinc/87/04/02/720870402.db2.gz	CHFBPGLPDUNHIO-JSGCOSHPSA-N	1	1	406.861	1.857	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@@H]2C1	ZINC001164859518	720871420	/nfs/dbraw/zinc/87/14/20/720871420.db2.gz	UFIVYCMOFCUKTM-DOMZBBRYSA-N	1	1	418.872	1.552	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)CC[C@@H]2C1	ZINC001164864773	720875480	/nfs/dbraw/zinc/87/54/80/720875480.db2.gz	XCBGXCZFZWMIBQ-ZIAGYGMSSA-N	1	1	406.861	1.771	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@H]2C1	ZINC001164859191	720877058	/nfs/dbraw/zinc/87/70/58/720877058.db2.gz	LYLKBAFAGOHVBQ-NWDGAFQWSA-N	1	1	416.860	1.676	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)CC[C@H]2C1	ZINC001164855294	720884582	/nfs/dbraw/zinc/88/45/82/720884582.db2.gz	GPIJUTCDVIXENH-NWDGAFQWSA-N	1	1	413.309	1.900	20	0		HDADMO
NC(=O)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164757475	720884932	/nfs/dbraw/zinc/88/49/32/720884932.db2.gz	VCUZJSKHQFOZJA-AUSIDOKSSA-N	1	1	422.533	1.726	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)CC[C@H]2C1	ZINC001164860076	720887364	/nfs/dbraw/zinc/88/73/64/720887364.db2.gz	ODVMJDRRIMDQJB-KBPBESRZSA-N	1	1	419.904	1.914	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nnc3OC)CC[C@H]2C1	ZINC001164862884	720890082	/nfs/dbraw/zinc/89/00/82/720890082.db2.gz	RSLBDRQRYJYCOU-JSGCOSHPSA-N	1	1	406.861	1.857	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC[C@H]2C1	ZINC001164864391	720890375	/nfs/dbraw/zinc/89/03/75/720890375.db2.gz	VQCYGODOIFOYCZ-NWDGAFQWSA-N	1	1	419.309	1.744	20	0		HDADMO
Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CNCC2	ZINC001164869555	721045323	/nfs/dbraw/zinc/04/53/23/721045323.db2.gz	UHSLBNFXGUUNRA-CVEARBPZSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CNCC2	ZINC001164869555	721045333	/nfs/dbraw/zinc/04/53/33/721045333.db2.gz	UHSLBNFXGUUNRA-CVEARBPZSA-N	1	1	400.914	1.650	20	0		HDADMO
O=C(c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCOCC1	ZINC001164869944	721049937	/nfs/dbraw/zinc/04/99/37/721049937.db2.gz	URUCBFXNLGWQJU-RTWAWAEBSA-N	1	1	423.517	1.429	20	0		HDADMO
CCOC(=O)c1cc(Cl)nnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164761582	721096714	/nfs/dbraw/zinc/09/67/14/721096714.db2.gz	CAIJFWBBHWZHJG-HUUCEWRRSA-N	1	1	404.902	1.999	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1	ZINC001164767618	721182123	/nfs/dbraw/zinc/18/21/23/721182123.db2.gz	KEOHYEMPSRRQQC-SJORKVTESA-N	1	1	423.521	1.837	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164866505	721196008	/nfs/dbraw/zinc/19/60/08/721196008.db2.gz	BPXQYIZBSLOGMI-ROUUACIJSA-N	1	1	402.520	1.750	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164866505	721196011	/nfs/dbraw/zinc/19/60/11/721196011.db2.gz	BPXQYIZBSLOGMI-ROUUACIJSA-N	1	1	402.520	1.750	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1	ZINC001164771513	721196483	/nfs/dbraw/zinc/19/64/83/721196483.db2.gz	QTEIFEGWGVKETG-SJORKVTESA-N	1	1	404.540	1.072	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1	ZINC001164764049	721197285	/nfs/dbraw/zinc/19/72/85/721197285.db2.gz	GCXAWGJJEYMPLE-MSOLQXFVSA-N	1	1	418.567	1.460	20	0		HDADMO
Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1NCC1CC1	ZINC001164876074	721260585	/nfs/dbraw/zinc/26/05/85/721260585.db2.gz	NNJPRDMHDCLKAS-UHFFFAOYSA-N	1	1	416.570	1.614	20	0		HDADMO
Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1N1CCCC1	ZINC001164874209	721261039	/nfs/dbraw/zinc/26/10/39/721261039.db2.gz	JOSAPQLGUFYPML-UHFFFAOYSA-N	1	1	416.570	1.392	20	0		HDADMO
COc1ccc2cnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc2c1	ZINC001164868992	721268057	/nfs/dbraw/zinc/26/80/57/721268057.db2.gz	IOTBPMHXDKAEKS-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
CCN(CC)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncn1	ZINC001164873284	721280483	/nfs/dbraw/zinc/28/04/83/721280483.db2.gz	KNCSSOVYNGGZQA-UHFFFAOYSA-N	1	1	404.559	1.330	20	0		HDADMO
CCCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164872906	721285636	/nfs/dbraw/zinc/28/56/36/721285636.db2.gz	IBPHMSHOGRWIEQ-UHFFFAOYSA-N	1	1	417.554	1.228	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)C1	ZINC001164874904	721292933	/nfs/dbraw/zinc/29/29/33/721292933.db2.gz	DYNMTDDOQSYYQO-KRWDZBQOSA-N	1	1	415.897	1.265	20	0		HDADMO
COC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1	ZINC001164779978	721340426	/nfs/dbraw/zinc/34/04/26/721340426.db2.gz	XUTQWJULWKEFJK-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1	ZINC001164779978	721340429	/nfs/dbraw/zinc/34/04/29/721340429.db2.gz	XUTQWJULWKEFJK-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164892281	721383253	/nfs/dbraw/zinc/38/32/53/721383253.db2.gz	SRGQUSBVNVDCKC-QRWLVFNGSA-N	1	1	423.945	1.682	20	0		HDADMO
COC(=O)c1cc(C)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164894562	721383381	/nfs/dbraw/zinc/38/33/81/721383381.db2.gz	ZBEIAYCEBMRSCO-DENIHFKCSA-N	1	1	402.539	1.942	20	0		HDADMO
COc1cnc(SC)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164894641	721386358	/nfs/dbraw/zinc/38/63/58/721386358.db2.gz	ZPIKSRUCOUUDMU-OXJNMPFZSA-N	1	1	407.584	1.973	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)C3)O2)CC1	ZINC001164891347	721414312	/nfs/dbraw/zinc/41/43/12/721414312.db2.gz	VKJCIUPGEGFONA-QVKFZJNVSA-N	1	1	419.957	1.995	20	0		HDADMO
CNC(=O)c1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1Cl	ZINC001164889799	721420282	/nfs/dbraw/zinc/42/02/82/721420282.db2.gz	RMFKXUGQVLOENN-IERDGZPVSA-N	1	1	421.973	1.860	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)C3)O2)CC1	ZINC001164890489	721422159	/nfs/dbraw/zinc/42/21/59/721422159.db2.gz	STWLCSJRFJIMGY-LIRRHRJNSA-N	1	1	405.934	1.772	20	0		HDADMO
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1	ZINC001164895416	721425463	/nfs/dbraw/zinc/42/54/63/721425463.db2.gz	OUTJPEAWYMMTPY-NFBKMPQASA-N	1	1	414.598	1.709	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccnc(-n5ccccc5=O)n4)C3)O2)CC1	ZINC001164896874	721438829	/nfs/dbraw/zinc/43/88/29/721438829.db2.gz	SHYNGFKZIZKRQY-CVDCTZTESA-N	1	1	424.549	1.393	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1	ZINC001164908687	721553652	/nfs/dbraw/zinc/55/36/52/721553652.db2.gz	RQZZAQQPWVQXCC-SJLPKXTDSA-N	1	1	420.510	1.861	20	0		HDADMO
CCOC(=O)Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1	ZINC001164805847	721560496	/nfs/dbraw/zinc/56/04/96/721560496.db2.gz	PCYWNTZFGQCFHR-SVFBPWRDSA-N	1	1	411.506	1.845	20	0		HDADMO
CCOC(=O)Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1	ZINC001164805847	721560499	/nfs/dbraw/zinc/56/04/99/721560499.db2.gz	PCYWNTZFGQCFHR-SVFBPWRDSA-N	1	1	411.506	1.845	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164904751	721566004	/nfs/dbraw/zinc/56/60/04/721566004.db2.gz	FNPYLYFUHGJTOW-HIFRSBDPSA-N	1	1	405.861	1.971	20	0		HDADMO
COCCN1C[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1=O	ZINC001164902873	721573793	/nfs/dbraw/zinc/57/37/93/721573793.db2.gz	MYOLAKWLYAIINE-ICSRJNTNSA-N	1	1	407.518	1.576	20	0		HDADMO
COCCN1C[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1=O	ZINC001164902873	721573798	/nfs/dbraw/zinc/57/37/98/721573798.db2.gz	MYOLAKWLYAIINE-ICSRJNTNSA-N	1	1	407.518	1.576	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@H]2CCCO[C@@H]12	ZINC001164809559	721581880	/nfs/dbraw/zinc/58/18/80/721581880.db2.gz	TWLZNDCYRCKOJM-NNMXDRDESA-N	1	1	418.501	1.891	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@H]2CCCO[C@@H]12	ZINC001164809559	721581883	/nfs/dbraw/zinc/58/18/83/721581883.db2.gz	TWLZNDCYRCKOJM-NNMXDRDESA-N	1	1	418.501	1.891	20	0		HDADMO
NS(=O)(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1	ZINC001164913414	721729674	/nfs/dbraw/zinc/72/96/74/721729674.db2.gz	VJAHIWFXHDYENF-GOSISDBHSA-N	1	1	423.489	1.862	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1)C1CC1	ZINC001165023738	721777639	/nfs/dbraw/zinc/77/76/39/721777639.db2.gz	UNHANGASDHNGIB-OFNKIYASSA-N	1	1	414.550	1.910	20	0		HDADMO
CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2	ZINC001165025602	721787877	/nfs/dbraw/zinc/78/78/77/721787877.db2.gz	VVIUJVHNMNNODN-JOCHJYFZSA-N	1	1	402.539	1.766	20	0		HDADMO
Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N(C)C)nc(C)[nH+]4)CCO3)C2)cs1	ZINC001164925528	721823722	/nfs/dbraw/zinc/82/37/22/721823722.db2.gz	RTTFUNWDKORQBF-FQEVSTJZSA-N	1	1	418.567	1.724	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(S(N)(=O)=O)cc3F)C[C@H]21	ZINC001165027704	721831258	/nfs/dbraw/zinc/83/12/58/721831258.db2.gz	TWSRSTRSWJEQFG-LSBZLQRGSA-N	1	1	419.526	2.000	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(S(N)(=O)=O)n3)C[C@H]21	ZINC001165026256	721831360	/nfs/dbraw/zinc/83/13/60/721831360.db2.gz	OKHSHESBIWJKND-CGTJXYLNSA-N	1	1	401.536	1.861	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)CC1	ZINC001164923083	721871021	/nfs/dbraw/zinc/87/10/21/721871021.db2.gz	HYNNTCVRASHSDM-MOPGFXCFSA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)CC1	ZINC001164923083	721871024	/nfs/dbraw/zinc/87/10/24/721871024.db2.gz	HYNNTCVRASHSDM-MOPGFXCFSA-N	1	1	416.570	1.471	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)n1C	ZINC001164926606	721876455	/nfs/dbraw/zinc/87/64/55/721876455.db2.gz	SAPJJYZOETWQGQ-ZIAGYGMSSA-N	1	1	406.918	1.623	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1C	ZINC001164926606	721876456	/nfs/dbraw/zinc/87/64/56/721876456.db2.gz	SAPJJYZOETWQGQ-ZIAGYGMSSA-N	1	1	406.918	1.623	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164934618	721881542	/nfs/dbraw/zinc/88/15/42/721881542.db2.gz	SRONATZSJVKMHI-OALUTQOASA-N	1	1	409.600	1.621	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164934618	721881543	/nfs/dbraw/zinc/88/15/43/721881543.db2.gz	SRONATZSJVKMHI-OALUTQOASA-N	1	1	409.600	1.621	20	0		HDADMO
C[C@H]1C(=O)NCCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1	ZINC001165039190	721882943	/nfs/dbraw/zinc/88/29/43/721882943.db2.gz	YGDWKJSLVBKQSZ-GJZGRUSLSA-N	1	1	403.527	1.205	20	0		HDADMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(S(N)(=O)=O)n4)CC3)C2)cc1	ZINC001164940459	721933619	/nfs/dbraw/zinc/93/36/19/721933619.db2.gz	DFCICUYRNHWUKF-UHFFFAOYSA-N	1	1	416.547	1.909	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@@H](Oc5ncccc5F)CC[C@@H]43)n2)CC1	ZINC001164963093	722029704	/nfs/dbraw/zinc/02/97/04/722029704.db2.gz	ZSMNGSHYPAXBIG-LNLFQRSKSA-N	1	1	414.485	1.578	20	0		HDADMO
CN1CCN(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1	ZINC001164978374	722101980	/nfs/dbraw/zinc/10/19/80/722101980.db2.gz	GTATXHBIQMTXIR-SFTDATJTSA-N	1	1	423.565	1.351	20	0		HDADMO
CN1CCN(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1	ZINC001164978374	722101982	/nfs/dbraw/zinc/10/19/82/722101982.db2.gz	GTATXHBIQMTXIR-SFTDATJTSA-N	1	1	423.565	1.351	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1OC	ZINC001164978201	722103980	/nfs/dbraw/zinc/10/39/80/722103980.db2.gz	GDNZEGXEKQASLC-XLIONFOSSA-N	1	1	412.490	1.999	20	0		HDADMO
c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@@H]3C2)c1	ZINC001164981040	722129071	/nfs/dbraw/zinc/12/90/71/722129071.db2.gz	SEQDDBITKPTWGQ-UXHICEINSA-N	1	1	410.522	1.436	20	0		HDADMO
O=c1ccccn1-c1nccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164984174	722145899	/nfs/dbraw/zinc/14/58/99/722145899.db2.gz	VZGLUORVFBXXCA-WOJBJXKFSA-N	1	1	418.501	1.750	20	0		HDADMO
CSc1nc(Cl)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164997622	722229191	/nfs/dbraw/zinc/22/91/91/722229191.db2.gz	QZOSGEITBJNWHU-UHFFFAOYSA-N	1	1	405.959	1.999	20	0		HDADMO
Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(-c2ccncc2)n1	ZINC001165001766	722237209	/nfs/dbraw/zinc/23/72/09/722237209.db2.gz	LRZUSMZEDRDRLU-UHFFFAOYSA-N	1	1	416.533	1.994	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccccn4)nn2)CC3)CC1	ZINC001165001946	722238744	/nfs/dbraw/zinc/23/87/44/722238744.db2.gz	PJANOVINIGKOBO-UHFFFAOYSA-N	1	1	402.506	1.686	20	0		HDADMO
CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429043759	1073458282	/nfs/dbraw/zinc/45/82/82/1073458282.db2.gz	BLXFNBIILUDXFD-CGTJXYLNSA-N	1	1	413.609	1.684	20	0		HDADMO
CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429043759	1073458295	/nfs/dbraw/zinc/45/82/95/1073458295.db2.gz	BLXFNBIILUDXFD-CGTJXYLNSA-N	1	1	413.609	1.684	20	0		HDADMO
O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000429049282	1073469142	/nfs/dbraw/zinc/46/91/42/1073469142.db2.gz	UMUKNXZUYGINAD-YADHBBJMSA-N	1	1	416.566	1.641	20	0		HDADMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000429049282	1073469151	/nfs/dbraw/zinc/46/91/51/1073469151.db2.gz	UMUKNXZUYGINAD-YADHBBJMSA-N	1	1	416.566	1.641	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(Cc3nnnn3CC(F)(F)F)CC2)CC1	ZINC000429052234	1073472318	/nfs/dbraw/zinc/47/23/18/1073472318.db2.gz	DTSQBFXANPTMPX-UHFFFAOYSA-N	1	1	403.453	1.002	20	0		HDADMO
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000429051655	1073479508	/nfs/dbraw/zinc/47/95/08/1073479508.db2.gz	AGHRCPJUAHBTCS-SFHVURJKSA-N	1	1	410.540	1.107	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1	ZINC001299281563	1073489232	/nfs/dbraw/zinc/48/92/32/1073489232.db2.gz	OUXLLICOFQLVEB-IAGOWNOFSA-N	1	1	410.559	1.691	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)C1	ZINC000671399479	1073506032	/nfs/dbraw/zinc/50/60/32/1073506032.db2.gz	TVGPOXLYMPXFPA-NRFANRHFSA-N	1	1	413.566	1.010	20	0		HDADMO
O=C1N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CCN1C(=O)c2ccccc2C1=O	ZINC000509089346	1073506464	/nfs/dbraw/zinc/50/64/64/1073506464.db2.gz	JJJRPIJGMFZVQA-QHCPKHFHSA-N	1	1	418.453	1.479	20	0		HDADMO
COC1(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCOCC1	ZINC000671405094	1073522161	/nfs/dbraw/zinc/52/21/61/1073522161.db2.gz	IZYAOAGPLOUBJQ-UHFFFAOYSA-N	1	1	404.442	1.248	20	0		HDADMO
COc1cccc(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)CC2)c1	ZINC000673648028	1073535691	/nfs/dbraw/zinc/53/56/91/1073535691.db2.gz	FKFGGSIZSMTHII-QFIPXVFZSA-N	1	1	422.529	1.968	20	0		HDADMO
COc1cccc(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)CC2)c1	ZINC000673648028	1073535703	/nfs/dbraw/zinc/53/57/03/1073535703.db2.gz	FKFGGSIZSMTHII-QFIPXVFZSA-N	1	1	422.529	1.968	20	0		HDADMO
CN1CCN(Cc2cccc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)c2)CC1	ZINC000673650314	1073544050	/nfs/dbraw/zinc/54/40/50/1073544050.db2.gz	MOXNAVAVXGCIGX-QFIPXVFZSA-N	1	1	400.567	1.761	20	0		HDADMO
CN1CCN(Cc2cccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)c2)CC1	ZINC000673650314	1073544065	/nfs/dbraw/zinc/54/40/65/1073544065.db2.gz	MOXNAVAVXGCIGX-QFIPXVFZSA-N	1	1	400.567	1.761	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000671415413	1073565676	/nfs/dbraw/zinc/56/56/76/1073565676.db2.gz	CVBQHXAUVVMLJL-VQIMIIECSA-N	1	1	405.514	1.979	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000671415413	1073565690	/nfs/dbraw/zinc/56/56/90/1073565690.db2.gz	CVBQHXAUVVMLJL-VQIMIIECSA-N	1	1	405.514	1.979	20	0		HDADMO
O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000429106127	1073589632	/nfs/dbraw/zinc/58/96/32/1073589632.db2.gz	XRBGTIZWPITDSA-WMZOPIPTSA-N	1	1	412.542	1.657	20	0		HDADMO
O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC[C@@H]1CCCN(c2nccn3cnnc23)C1	ZINC000429106121	1073589763	/nfs/dbraw/zinc/58/97/63/1073589763.db2.gz	XRBGTIZWPITDSA-FUHWJXTLSA-N	1	1	412.542	1.657	20	0		HDADMO
CN1C(=O)C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)[C@H]1c1ccc(Cl)cc1	ZINC000509119422	1073597220	/nfs/dbraw/zinc/59/72/20/1073597220.db2.gz	CHMQWGPIKNHNKE-LZLYRXPVSA-N	1	1	421.929	1.251	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)CC2)C1	ZINC000673673467	1073628758	/nfs/dbraw/zinc/62/87/58/1073628758.db2.gz	SACCOXLHBCKAQY-UYAOXDASSA-N	1	1	405.587	1.589	20	0		HDADMO
Cc1c(C(=O)N2CCN(c3cnn(C)c3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000673693563	1073636101	/nfs/dbraw/zinc/63/61/01/1073636101.db2.gz	VHNPNPKDHKKKTL-UHFFFAOYSA-N	1	1	420.521	1.260	20	0		HDADMO
COCC[NH+]1CCN(CC(=O)Nc2ccc(I)cc2)CC1	ZINC000302919995	1073640988	/nfs/dbraw/zinc/64/09/88/1073640988.db2.gz	ZVEVGQXDGNRXKU-UHFFFAOYSA-N	1	1	403.264	1.494	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1	ZINC000673702377	1073644219	/nfs/dbraw/zinc/64/42/19/1073644219.db2.gz	BHJMRHNCYLNOMG-IBGZPJMESA-N	1	1	408.568	1.609	20	0		HDADMO
O=C(Cn1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1)NC1CCCCC1	ZINC000673740703	1073675574	/nfs/dbraw/zinc/67/55/74/1073675574.db2.gz	IGZXZBXNPWJYPO-OALUTQOASA-N	1	1	403.527	1.003	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000509134213	1073691774	/nfs/dbraw/zinc/69/17/74/1073691774.db2.gz	CGEWWKWXAXQYJF-CTNGQTDRSA-N	1	1	421.563	1.498	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc(OCC(N)=O)cc1	ZINC000673757292	1073692248	/nfs/dbraw/zinc/69/22/48/1073692248.db2.gz	JIMLZJUKRKUWGJ-LJQANCHMSA-N	1	1	424.545	1.763	20	0		HDADMO
C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673758484	1073698398	/nfs/dbraw/zinc/69/83/98/1073698398.db2.gz	RJVWUQYIQHUFGK-GGPKGHCWSA-N	1	1	407.580	1.617	20	0		HDADMO
C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673758484	1073698407	/nfs/dbraw/zinc/69/84/07/1073698407.db2.gz	RJVWUQYIQHUFGK-GGPKGHCWSA-N	1	1	407.580	1.617	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000509137108	1073701247	/nfs/dbraw/zinc/70/12/47/1073701247.db2.gz	JUCHYWGOTNEHRE-LJHODMEESA-N	1	1	407.946	1.547	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000673771929	1073705892	/nfs/dbraw/zinc/70/58/92/1073705892.db2.gz	PFCRSRSLUGUALX-IEBWSBKVSA-N	1	1	408.568	1.716	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1	ZINC000509144234	1073723136	/nfs/dbraw/zinc/72/31/36/1073723136.db2.gz	NZUYKLXBIAVSMH-NHCUHLMSSA-N	1	1	416.566	1.245	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673786486	1073731052	/nfs/dbraw/zinc/73/10/52/1073731052.db2.gz	LEWHNLWOIDSTPN-QGZVFWFLSA-N	1	1	412.465	1.986	20	0		HDADMO
C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)[N@@H+](C)Cc1ccccc1	ZINC000673789217	1073744279	/nfs/dbraw/zinc/74/42/79/1073744279.db2.gz	QFDICPUXMCUCEA-HNNXBMFYSA-N	1	1	410.474	1.983	20	0		HDADMO
COc1ccc(CC[N@@H+]2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001108089876	1073766118	/nfs/dbraw/zinc/76/61/18/1073766118.db2.gz	PBABBCDPHOBGSP-IBYACTMASA-N	1	1	400.519	1.868	20	0		HDADMO
COc1ccc(CC[N@H+]2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1	ZINC001108089876	1073766131	/nfs/dbraw/zinc/76/61/31/1073766131.db2.gz	PBABBCDPHOBGSP-IBYACTMASA-N	1	1	400.519	1.868	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1	ZINC000673817289	1073772421	/nfs/dbraw/zinc/77/24/21/1073772421.db2.gz	RDIHRACWGBWNTO-WOJBJXKFSA-N	1	1	402.514	1.731	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000509161229	1073806113	/nfs/dbraw/zinc/80/61/13/1073806113.db2.gz	ARQBUZGEPFBMIE-VAMGGRTRSA-N	1	1	421.563	1.496	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CCOCC2)C1=O	ZINC000673849593	1073815143	/nfs/dbraw/zinc/81/51/43/1073815143.db2.gz	DEHBBVKFGASMHG-CTNGQTDRSA-N	1	1	414.550	1.978	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](CCCc3cnn(C)c3)CC2)c(OC)c1OC	ZINC000673857095	1073825305	/nfs/dbraw/zinc/82/53/05/1073825305.db2.gz	CXPCDXRCXZQDQX-UHFFFAOYSA-N	1	1	402.495	1.837	20	0		HDADMO
COc1cc(C[C@@H](CO)CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cc(OC)c1	ZINC000673875484	1073841877	/nfs/dbraw/zinc/84/18/77/1073841877.db2.gz	AZURTPCPWBZVDJ-GOSISDBHSA-N	1	1	422.570	1.180	20	0		HDADMO
O=C(NC1CCN(CC(F)F)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000673876607	1073843755	/nfs/dbraw/zinc/84/37/55/1073843755.db2.gz	HDDIZQPGKXQYIG-PKOBYXMFSA-N	1	1	410.509	1.898	20	0		HDADMO
CN(C)c1nc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cs1	ZINC000673882193	1073853828	/nfs/dbraw/zinc/85/38/28/1073853828.db2.gz	YAKPYAUCMZUSEY-AEFFLSMTSA-N	1	1	403.552	1.891	20	0		HDADMO
C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC2(CO)CC2)c1	ZINC000673889636	1073861460	/nfs/dbraw/zinc/86/14/60/1073861460.db2.gz	WIOUFWIOZLTJRZ-AWEZNQCLSA-N	1	1	420.485	1.466	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC2(CO)CC2)c1	ZINC000673889636	1073861467	/nfs/dbraw/zinc/86/14/67/1073861467.db2.gz	WIOUFWIOZLTJRZ-AWEZNQCLSA-N	1	1	420.485	1.466	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN[C@H](C)c2nnnn2-c2ccccc2)CC1	ZINC000543500793	1073864429	/nfs/dbraw/zinc/86/44/29/1073864429.db2.gz	OFRLDYIWXJJGSZ-LJQANCHMSA-N	1	1	419.533	1.966	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)CC1=O	ZINC001299288685	1073875089	/nfs/dbraw/zinc/87/50/89/1073875089.db2.gz	ATCKTHSGMMXPRY-ZSZQSSIHSA-N	1	1	400.479	1.183	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000429161878	1073883176	/nfs/dbraw/zinc/88/31/76/1073883176.db2.gz	RARDIWFZXGAYOX-KRWDZBQOSA-N	1	1	417.620	1.505	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1	ZINC000673911827	1073883516	/nfs/dbraw/zinc/88/35/16/1073883516.db2.gz	GBMWIOCZQMPBNA-OXJNMPFZSA-N	1	1	416.522	1.935	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)C2=O)c1	ZINC000673914960	1073887155	/nfs/dbraw/zinc/88/71/55/1073887155.db2.gz	JKFCAKDQXKEYQO-RXVVDRJESA-N	1	1	403.523	1.996	20	0		HDADMO
COCCOc1ccccc1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000057481886	1073887670	/nfs/dbraw/zinc/88/76/70/1073887670.db2.gz	CCDCLILZCCDQCQ-UHFFFAOYSA-N	1	1	414.510	1.836	20	0		HDADMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1CCN(c2cccnn2)CC1	ZINC000429162937	1073888307	/nfs/dbraw/zinc/88/83/07/1073888307.db2.gz	TVPWSVVIUFGPEM-UHFFFAOYSA-N	1	1	423.565	1.909	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000673935784	1073907817	/nfs/dbraw/zinc/90/78/17/1073907817.db2.gz	STWPMLPTSISQIT-IFMALSPDSA-N	1	1	403.486	1.952	20	0		HDADMO
COC[C@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1	ZINC000466561739	1073925643	/nfs/dbraw/zinc/92/56/43/1073925643.db2.gz	HCPYWHMTKSZJSJ-IBGZPJMESA-N	1	1	406.502	1.709	20	0		HDADMO
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1	ZINC000642658852	1073940294	/nfs/dbraw/zinc/94/02/94/1073940294.db2.gz	ITIQQCVUEJUKJD-PMACEKPBSA-N	1	1	418.517	1.768	20	0		HDADMO
C[C@]1(c2ccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc2)NC(=O)NC1=O	ZINC000673963164	1073946787	/nfs/dbraw/zinc/94/67/87/1073946787.db2.gz	GGROPKOANXOJNL-DYESRHJHSA-N	1	1	400.479	1.068	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)C[N@H+]1Cc1ccccc1	ZINC000670438539	1073956121	/nfs/dbraw/zinc/95/61/21/1073956121.db2.gz	NKRGQCBYJSRGML-PXNSSMCTSA-N	1	1	412.534	1.237	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC(=O)OCc2ccccc2)CC1=O	ZINC000766044904	1073971737	/nfs/dbraw/zinc/97/17/37/1073971737.db2.gz	NSNKYIYZEAVGLJ-RTBURBONSA-N	1	1	401.507	1.569	20	0		HDADMO
C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C(=O)N3CCO[C@H](C)C3)cc2)C[C@H]1C	ZINC000670443932	1073990292	/nfs/dbraw/zinc/99/02/92/1073990292.db2.gz	WXAXEJWITSCBCD-CEXWTWQISA-N	1	1	417.550	1.559	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1	ZINC000484452971	1074011280	/nfs/dbraw/zinc/01/12/80/1074011280.db2.gz	NXQUIFGALMYAOP-UEXGIBASSA-N	1	1	407.530	1.373	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1	ZINC000484452971	1074011285	/nfs/dbraw/zinc/01/12/85/1074011285.db2.gz	NXQUIFGALMYAOP-UEXGIBASSA-N	1	1	407.530	1.373	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1	ZINC000484452971	1074011294	/nfs/dbraw/zinc/01/12/94/1074011294.db2.gz	NXQUIFGALMYAOP-UEXGIBASSA-N	1	1	407.530	1.373	20	0		HDADMO
CC[C@H]1C[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC(=O)N1	ZINC000543531144	1074021878	/nfs/dbraw/zinc/02/18/78/1074021878.db2.gz	DZPKVQTVRVVDCG-MSOLQXFVSA-N	1	1	400.523	1.637	20	0		HDADMO
CC[C@H]1C[C@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC(=O)N1	ZINC000543531148	1074021995	/nfs/dbraw/zinc/02/19/95/1074021995.db2.gz	DZPKVQTVRVVDCG-ROUUACIJSA-N	1	1	400.523	1.637	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1	ZINC000543532420	1074025106	/nfs/dbraw/zinc/02/51/06/1074025106.db2.gz	VOZNVZLFVNDWSG-MRXNPFEDSA-N	1	1	412.494	1.209	20	0		HDADMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000543534034	1074027174	/nfs/dbraw/zinc/02/71/74/1074027174.db2.gz	LKZRTRXLRQBQEG-BBWFWOEESA-N	1	1	415.538	1.633	20	0		HDADMO
C[N@@H+](CCNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)Cc1ccc(F)cc1	ZINC000674000787	1074027873	/nfs/dbraw/zinc/02/78/73/1074027873.db2.gz	WZSYRIFLKPTBHI-UHFFFAOYSA-N	1	1	407.511	1.779	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(=O)[nH]1	ZINC000543532548	1074029345	/nfs/dbraw/zinc/02/93/45/1074029345.db2.gz	HKPKIWZUZNNCSE-IYBDPMFKSA-N	1	1	412.490	1.960	20	0		HDADMO
Cc1ccc(C(=O)NCCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c(O)c1	ZINC000543538372	1074046721	/nfs/dbraw/zinc/04/67/21/1074046721.db2.gz	WSBATUJSIJNJOV-UHFFFAOYSA-N	1	1	410.518	1.759	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1	ZINC000466594055	1074049031	/nfs/dbraw/zinc/04/90/31/1074049031.db2.gz	WPNLUMKVDHYFCM-RTBURBONSA-N	1	1	402.543	1.078	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC000466594055	1074049040	/nfs/dbraw/zinc/04/90/40/1074049040.db2.gz	WPNLUMKVDHYFCM-RTBURBONSA-N	1	1	402.543	1.078	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC000466594055	1074049051	/nfs/dbraw/zinc/04/90/51/1074049051.db2.gz	WPNLUMKVDHYFCM-RTBURBONSA-N	1	1	402.543	1.078	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc3cnn(CCOC)c3c2)CC1	ZINC000058675830	1074052598	/nfs/dbraw/zinc/05/25/98/1074052598.db2.gz	NGAUFGKVFCQUFR-UHFFFAOYSA-N	1	1	416.526	1.795	20	0		HDADMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1	ZINC000543554312	1074076582	/nfs/dbraw/zinc/07/65/82/1074076582.db2.gz	AMHKOMRHPHSBLQ-MRXNPFEDSA-N	1	1	401.511	1.341	20	0		HDADMO
CC(C)(CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)S(C)(=O)=O	ZINC000674021337	1074078886	/nfs/dbraw/zinc/07/88/86/1074078886.db2.gz	GJNBGGRDVTVQQF-UHFFFAOYSA-N	1	1	422.551	1.918	20	0		HDADMO
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1	ZINC000543555249	1074083041	/nfs/dbraw/zinc/08/30/41/1074083041.db2.gz	NIXYZASTBSKXME-QFIPXVFZSA-N	1	1	421.538	1.530	20	0		HDADMO
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH]c1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543555124	1074083767	/nfs/dbraw/zinc/08/37/67/1074083767.db2.gz	IRXRRLJDWMJTJG-MJGOQNOKSA-N	1	1	412.490	1.830	20	0		HDADMO
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH]c1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543555124	1074083771	/nfs/dbraw/zinc/08/37/71/1074083771.db2.gz	IRXRRLJDWMJTJG-MJGOQNOKSA-N	1	1	412.490	1.830	20	0		HDADMO
C[N@@H+](CCNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)Cc1ccc(F)cc1	ZINC000674029478	1074097246	/nfs/dbraw/zinc/09/72/46/1074097246.db2.gz	DJJAOXOXFAFWBT-UHFFFAOYSA-N	1	1	412.462	1.543	20	0		HDADMO
CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1ccccc1F	ZINC000674030528	1074099087	/nfs/dbraw/zinc/09/90/87/1074099087.db2.gz	KSMMUTCEVHNJTL-ZWKOTPCHSA-N	1	1	408.518	1.689	20	0		HDADMO
O=C(CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1)N1CCN(c2ncccn2)CC1	ZINC000543560747	1074101715	/nfs/dbraw/zinc/10/17/15/1074101715.db2.gz	QNEFWHVHIJSYCX-NRFANRHFSA-N	1	1	409.534	1.849	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC1	ZINC000674033111	1074102857	/nfs/dbraw/zinc/10/28/57/1074102857.db2.gz	UOCOPAFTGVXJJD-IBGZPJMESA-N	1	1	415.582	1.864	20	0		HDADMO
Cn1c2ncn(CC[N@@H+](C)[C@H]3CCO[C@H](c4ccc(F)cc4)C3)c2c(=O)n(C)c1=O	ZINC000543560519	1074107859	/nfs/dbraw/zinc/10/78/59/1074107859.db2.gz	GHYZMIJZWMFDKG-IRXDYDNUSA-N	1	1	415.469	1.425	20	0		HDADMO
COc1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@H](C(=O)N(C)C)C3)CC2)cc1	ZINC000110737141	1074114148	/nfs/dbraw/zinc/11/41/48/1074114148.db2.gz	WWPSYFCZFVTYEL-IBGZPJMESA-N	1	1	402.539	1.140	20	0		HDADMO
O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000429207285	1074117292	/nfs/dbraw/zinc/11/72/92/1074117292.db2.gz	WYOWUNJPNNFGAN-TZIWHRDSSA-N	1	1	424.549	1.628	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2	ZINC000466617840	1074126773	/nfs/dbraw/zinc/12/67/73/1074126773.db2.gz	JUXYQRYRQMGFOO-BHIYHBOVSA-N	1	1	412.538	1.949	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn2ccc(Br)cc2n1	ZINC000509211869	1074131665	/nfs/dbraw/zinc/13/16/65/1074131665.db2.gz	PQEAVVRQQQHFAM-OAHLLOKOSA-N	1	1	422.327	1.769	20	0		HDADMO
O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1cccnc1N1CCCCC1	ZINC000509210357	1074134936	/nfs/dbraw/zinc/13/49/36/1074134936.db2.gz	VKTQJSGAEJHRLR-KRWDZBQOSA-N	1	1	403.527	1.364	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1	ZINC000059320018	1074138040	/nfs/dbraw/zinc/13/80/40/1074138040.db2.gz	RYNYDTKAFFTISU-KRWDZBQOSA-N	1	1	402.495	1.515	20	0		HDADMO
CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)CC1	ZINC000543574286	1074151246	/nfs/dbraw/zinc/15/12/46/1074151246.db2.gz	QTCKDTNPVPNMFR-UHFFFAOYSA-N	1	1	412.542	1.605	20	0		HDADMO
C[C@@H]1N(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCC12CCOCC2	ZINC000543580909	1074171257	/nfs/dbraw/zinc/17/12/57/1074171257.db2.gz	VOUIWQNDXVFOTD-HNNXBMFYSA-N	1	1	402.495	1.543	20	0		HDADMO
O=C(CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCCCO2	ZINC000674132742	1074187881	/nfs/dbraw/zinc/18/78/81/1074187881.db2.gz	YDRWPJJAHDDLPU-QGZVFWFLSA-N	1	1	402.491	1.992	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)nc(C)[nH+]1	ZINC000674134840	1074193201	/nfs/dbraw/zinc/19/32/01/1074193201.db2.gz	NKLPBNWJWWFBSN-KRWDZBQOSA-N	1	1	408.506	1.622	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)c3ccc(C)c(S(N)(=O)=O)c3)CC2)nc(C)[nH+]1	ZINC000674134804	1074193236	/nfs/dbraw/zinc/19/32/36/1074193236.db2.gz	KQQQNNLWJRQMAE-UHFFFAOYSA-N	1	1	403.508	1.448	20	0		HDADMO
CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nnc2n1CCCCC2	ZINC000674158195	1074195630	/nfs/dbraw/zinc/19/56/30/1074195630.db2.gz	KPSAUEGRXAYPJT-AEFFLSMTSA-N	1	1	403.575	1.923	20	0		HDADMO
CC[C@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2	ZINC000674158195	1074195633	/nfs/dbraw/zinc/19/56/33/1074195633.db2.gz	KPSAUEGRXAYPJT-AEFFLSMTSA-N	1	1	403.575	1.923	20	0		HDADMO
Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000670468009	1074202422	/nfs/dbraw/zinc/20/24/22/1074202422.db2.gz	TXIBYEJLXFLNBS-OAHLLOKOSA-N	1	1	422.576	1.637	20	0		HDADMO
Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000674190937	1074204353	/nfs/dbraw/zinc/20/43/53/1074204353.db2.gz	UYORLIDDIZNBQE-QGZVFWFLSA-N	1	1	413.478	1.697	20	0		HDADMO
CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccn1	ZINC000674191992	1074205303	/nfs/dbraw/zinc/20/53/03/1074205303.db2.gz	LZCWZEOZGPSGMN-CQSZACIVSA-N	1	1	411.462	1.382	20	0		HDADMO
CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2OCc2ccccc2)CC1	ZINC000674222332	1074232712	/nfs/dbraw/zinc/23/27/12/1074232712.db2.gz	PZYKOWGUGLZAPN-GOSISDBHSA-N	1	1	412.490	1.514	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1	ZINC000674224725	1074233108	/nfs/dbraw/zinc/23/31/08/1074233108.db2.gz	HJIYYCQPMLLPCN-UTKZUKDTSA-N	1	1	422.529	1.940	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000674227572	1074234795	/nfs/dbraw/zinc/23/47/95/1074234795.db2.gz	XNOUTQHBJRLDRD-HRAATJIYSA-N	1	1	420.513	1.938	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)nc(C)[nH+]1	ZINC000674229444	1074235755	/nfs/dbraw/zinc/23/57/55/1074235755.db2.gz	GCZPOGWZMUALOV-UHFFFAOYSA-N	1	1	422.489	1.103	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1	ZINC000674230249	1074236651	/nfs/dbraw/zinc/23/66/51/1074236651.db2.gz	SZVFEICQAKALEM-UHFFFAOYSA-N	1	1	424.505	1.106	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000674274760	1074253863	/nfs/dbraw/zinc/25/38/63/1074253863.db2.gz	ZCMZYSGSNNQYRA-QFBILLFUSA-N	1	1	419.957	1.913	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000674274760	1074253867	/nfs/dbraw/zinc/25/38/67/1074253867.db2.gz	ZCMZYSGSNNQYRA-QFBILLFUSA-N	1	1	419.957	1.913	20	0		HDADMO
CO[C@H](C)c1noc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)n1	ZINC000674274577	1074254400	/nfs/dbraw/zinc/25/44/00/1074254400.db2.gz	RVBBETNMWPWCRA-NVXWUHKLSA-N	1	1	406.531	1.479	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000674294530	1074258051	/nfs/dbraw/zinc/25/80/51/1074258051.db2.gz	GXZPPYPTPFGXBZ-FPOVZHCZSA-N	1	1	424.586	1.153	20	0		HDADMO
CN(C[C@H]1CCOC1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674280172	1074260137	/nfs/dbraw/zinc/26/01/37/1074260137.db2.gz	DGBMCMLFRWUKJF-QGZVFWFLSA-N	1	1	403.527	1.397	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)C[N@H+]1C1CC1	ZINC000674300623	1074264571	/nfs/dbraw/zinc/26/45/71/1074264571.db2.gz	LYSIQQBDQDPFRQ-VQIMIIECSA-N	1	1	415.534	1.740	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000674307936	1074266516	/nfs/dbraw/zinc/26/65/16/1074266516.db2.gz	MCJKARKTPSZWOO-LSTHTHJFSA-N	1	1	400.523	1.283	20	0		HDADMO
COCC(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1	ZINC000674332818	1074286563	/nfs/dbraw/zinc/28/65/63/1074286563.db2.gz	UWPQMUQQEDAFOZ-XLIONFOSSA-N	1	1	402.539	1.976	20	0		HDADMO
COCC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1	ZINC000674332815	1074286600	/nfs/dbraw/zinc/28/66/00/1074286600.db2.gz	UWPQMUQQEDAFOZ-FXAWDEMLSA-N	1	1	402.539	1.976	20	0		HDADMO
COc1ccc(C(=O)CCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1F	ZINC000674358772	1074290989	/nfs/dbraw/zinc/29/09/89/1074290989.db2.gz	RLOWRZYAQRBZRG-QGZVFWFLSA-N	1	1	405.470	1.738	20	0		HDADMO
COc1ccc(-c2cc(C(=O)NCCCN3CCC[N@@H+](C)CC3)[nH]n2)cc1OC	ZINC000674360600	1074292618	/nfs/dbraw/zinc/29/26/18/1074292618.db2.gz	VDNANNKUZIHLHI-UHFFFAOYSA-N	1	1	401.511	1.851	20	0		HDADMO
COc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCN(C)CC3)[nH]n2)cc1OC	ZINC000674360600	1074292625	/nfs/dbraw/zinc/29/26/25/1074292625.db2.gz	VDNANNKUZIHLHI-UHFFFAOYSA-N	1	1	401.511	1.851	20	0		HDADMO
COc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCN(C)CC3)[nH]n2)cc1OC	ZINC000674360600	1074292635	/nfs/dbraw/zinc/29/26/35/1074292635.db2.gz	VDNANNKUZIHLHI-UHFFFAOYSA-N	1	1	401.511	1.851	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+](C)C1(CO)CCC1	ZINC000429229510	1074319152	/nfs/dbraw/zinc/31/91/52/1074319152.db2.gz	CWPNGIAMZFUIRH-UHFFFAOYSA-N	1	1	411.524	1.720	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+](C)C1(CO)CCC1	ZINC000429229510	1074319161	/nfs/dbraw/zinc/31/91/61/1074319161.db2.gz	CWPNGIAMZFUIRH-UHFFFAOYSA-N	1	1	411.524	1.720	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000674433615	1074332560	/nfs/dbraw/zinc/33/25/60/1074332560.db2.gz	OOWNNBBYECCFBN-HMFYCAOWSA-N	1	1	413.522	1.671	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000674436862	1074333997	/nfs/dbraw/zinc/33/39/97/1074333997.db2.gz	BQXSWPDUOPKWOH-GCJKJVERSA-N	1	1	413.522	1.277	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)c1	ZINC000674440589	1074337061	/nfs/dbraw/zinc/33/70/61/1074337061.db2.gz	PNNXUQACZKSOGJ-AVRDEDQJSA-N	1	1	413.522	1.543	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CC[NH+](CCc3cccs3)CC2)C1=O	ZINC000674439850	1074338689	/nfs/dbraw/zinc/33/86/89/1074338689.db2.gz	YXWQVHOBIVSYJS-FOIQADDNSA-N	1	1	419.551	1.338	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)N(C)CCN2CCCS2(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000674439984	1074338789	/nfs/dbraw/zinc/33/87/89/1074338789.db2.gz	LMCSNWKNCXYYBX-PKOBYXMFSA-N	1	1	408.568	1.716	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccc(OC)c(OC)c3)CCN2C1=O	ZINC000674467921	1074365981	/nfs/dbraw/zinc/36/59/81/1074365981.db2.gz	KNTIFAXJVMQDEF-HOCLYGCPSA-N	1	1	418.494	1.019	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)Cc3ccc(OC)c(OC)c3)CCN2C1=O	ZINC000674467921	1074365986	/nfs/dbraw/zinc/36/59/86/1074365986.db2.gz	KNTIFAXJVMQDEF-HOCLYGCPSA-N	1	1	418.494	1.019	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CCN2C1=O	ZINC000674467541	1074366353	/nfs/dbraw/zinc/36/63/53/1074366353.db2.gz	GHMHJJNGRYDOLR-RISCZKNCSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CCN2C1=O	ZINC000674467543	1074366397	/nfs/dbraw/zinc/36/63/97/1074366397.db2.gz	GHMHJJNGRYDOLR-SMDDNHRTSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3ccc(OC)c(F)c3)CCN2C1=O	ZINC000674470320	1074367898	/nfs/dbraw/zinc/36/78/98/1074367898.db2.gz	TVALJLBWDWQTRN-CZUORRHYSA-N	1	1	406.458	1.150	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3ccc(OC)c(F)c3)CCN2C1=O	ZINC000674470320	1074367904	/nfs/dbraw/zinc/36/79/04/1074367904.db2.gz	TVALJLBWDWQTRN-CZUORRHYSA-N	1	1	406.458	1.150	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CCN2C1=O	ZINC000674470022	1074368430	/nfs/dbraw/zinc/36/84/30/1074368430.db2.gz	NXMWDMZUZKYFPU-NHYWBVRUSA-N	1	1	402.278	1.701	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2N)CC[N@H+]1Cc1ccccc1	ZINC000670473580	1074380918	/nfs/dbraw/zinc/38/09/18/1074380918.db2.gz	PAMHNFNWKHVKEF-FUHWJXTLSA-N	1	1	416.547	1.716	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H](O)CN(CCO)Cc2ccc(Br)s2)C[C@@H](C)O1	ZINC000485131379	1074391965	/nfs/dbraw/zinc/39/19/65/1074391965.db2.gz	JDXOORJKWACBKF-MCIONIFRSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@@H+](CCO)Cc2ccc(Br)s2)C[C@@H](C)O1	ZINC000485131379	1074391949	/nfs/dbraw/zinc/39/19/49/1074391949.db2.gz	JDXOORJKWACBKF-MCIONIFRSA-N	1	1	407.374	1.775	20	0		HDADMO
Cc1cn(C2CCOCC2)nc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC001128735723	1074410513	/nfs/dbraw/zinc/41/05/13/1074410513.db2.gz	JAJOOGOYPHBIBS-ZNXRZULTSA-N	1	1	403.527	1.356	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCOC[C@@H](C2CCC2)C1	ZINC000429231011	1074415071	/nfs/dbraw/zinc/41/50/71/1074415071.db2.gz	YWXBKTITDULNGC-QAPCUYQASA-N	1	1	409.552	1.130	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)C[C@H]2C)CC1	ZINC000674535406	1074424630	/nfs/dbraw/zinc/42/46/30/1074424630.db2.gz	BZMHVDJEFJHRJN-SUMDDJOVSA-N	1	1	404.511	1.045	20	0		HDADMO
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674563674	1074441456	/nfs/dbraw/zinc/44/14/56/1074441456.db2.gz	DXJPKEBGHYOJOY-QGZVFWFLSA-N	1	1	405.543	1.520	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1	ZINC000674581883	1074461066	/nfs/dbraw/zinc/46/10/66/1074461066.db2.gz	WQQZIOPVAJSBDP-UHFFFAOYSA-N	1	1	404.511	1.267	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCc1ccccc1)[C@H]1CCOC1	ZINC000674631789	1074496100	/nfs/dbraw/zinc/49/61/00/1074496100.db2.gz	VCDUQJAAQWDQEN-VXKWHMMOSA-N	1	1	416.566	1.436	20	0		HDADMO
CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1	ZINC001033905258	1074498856	/nfs/dbraw/zinc/49/88/56/1074498856.db2.gz	YCGROCFVSWSEBB-PITCONLNSA-N	1	1	402.543	1.317	20	0		HDADMO
C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000674668984	1074519650	/nfs/dbraw/zinc/51/96/50/1074519650.db2.gz	IGIGGPNUVQDDHR-QAPCUYQASA-N	1	1	409.552	1.253	20	0		HDADMO
CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(F)c1	ZINC000674673259	1074525029	/nfs/dbraw/zinc/52/50/29/1074525029.db2.gz	FSLFWJIPJFJDQK-OALUTQOASA-N	1	1	408.518	1.689	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCc3ccc(C(N)=O)nc3)cc2)CC1	ZINC000674695854	1074526863	/nfs/dbraw/zinc/52/68/63/1074526863.db2.gz	RJKFJYOAMBOUIE-UHFFFAOYSA-N	1	1	410.478	1.280	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CO)cc1S(=O)(=O)N1CCCCC1	ZINC000674714568	1074532936	/nfs/dbraw/zinc/53/29/36/1074532936.db2.gz	ZJMHIYANBVTQJH-SFHVURJKSA-N	1	1	409.552	1.955	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CO)cc1S(=O)(=O)N1CCCCC1	ZINC000674714568	1074532939	/nfs/dbraw/zinc/53/29/39/1074532939.db2.gz	ZJMHIYANBVTQJH-SFHVURJKSA-N	1	1	409.552	1.955	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1CCCC[C@H]1CO	ZINC000674714124	1074533004	/nfs/dbraw/zinc/53/30/04/1074533004.db2.gz	LQEKMSVRPNEMIL-INIZCTEOSA-N	1	1	422.551	1.424	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1CCCC[C@H]1CO	ZINC000674714124	1074533010	/nfs/dbraw/zinc/53/30/10/1074533010.db2.gz	LQEKMSVRPNEMIL-INIZCTEOSA-N	1	1	422.551	1.424	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000674714003	1074533353	/nfs/dbraw/zinc/53/33/53/1074533353.db2.gz	KMXGVYOGMQCNFE-MRXNPFEDSA-N	1	1	415.943	1.020	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1	ZINC000674778543	1074553335	/nfs/dbraw/zinc/55/33/35/1074553335.db2.gz	LBGOXOMVTWJWTP-KSSFIOAISA-N	1	1	421.492	1.538	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1	ZINC000674778543	1074553341	/nfs/dbraw/zinc/55/33/41/1074553341.db2.gz	LBGOXOMVTWJWTP-KSSFIOAISA-N	1	1	421.492	1.538	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1	ZINC000674761228	1074554527	/nfs/dbraw/zinc/55/45/27/1074554527.db2.gz	AYBXNAUHDJNBPA-PBHICJAKSA-N	1	1	405.524	1.965	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1	ZINC000674764246	1074558012	/nfs/dbraw/zinc/55/80/12/1074558012.db2.gz	SPJREUNKHOMPAL-GOSISDBHSA-N	1	1	405.462	1.334	20	0		HDADMO
CCCCOc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000674830713	1074587512	/nfs/dbraw/zinc/58/75/12/1074587512.db2.gz	SSGFVIYKRJCDAM-RDTXWAMCSA-N	1	1	411.930	1.970	20	0		HDADMO
CCCCOc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000674830713	1074587519	/nfs/dbraw/zinc/58/75/19/1074587519.db2.gz	SSGFVIYKRJCDAM-RDTXWAMCSA-N	1	1	411.930	1.970	20	0		HDADMO
Cc1ccc(N2CCC(C(=O)N3CCN([C@H](C)C(=O)N4CCCC4)CC3)CC2)[nH+]c1	ZINC000674842497	1074589578	/nfs/dbraw/zinc/58/95/78/1074589578.db2.gz	DNEVCYVNXQUXHJ-LJQANCHMSA-N	1	1	413.566	1.762	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)nn2)cc1	ZINC000674874573	1074594473	/nfs/dbraw/zinc/59/44/73/1074594473.db2.gz	OYFOAEKFIUHSHM-LJQANCHMSA-N	1	1	400.483	1.282	20	0		HDADMO
COc1cc(OC)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1F	ZINC000674889967	1074598072	/nfs/dbraw/zinc/59/80/72/1074598072.db2.gz	ZNYIJVWGBRKNBU-AWEZNQCLSA-N	1	1	408.474	1.020	20	0		HDADMO
COc1cc(OC)c(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1F	ZINC000674885751	1074602688	/nfs/dbraw/zinc/60/26/88/1074602688.db2.gz	TUASUSUVFGKXSQ-AWEZNQCLSA-N	1	1	409.458	1.495	20	0		HDADMO
COc1cc(OC)c(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1F	ZINC000674885752	1074602773	/nfs/dbraw/zinc/60/27/73/1074602773.db2.gz	TUASUSUVFGKXSQ-CQSZACIVSA-N	1	1	409.458	1.495	20	0		HDADMO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC(OCCCO)CC2)CC1	ZINC000674914161	1074612877	/nfs/dbraw/zinc/61/28/77/1074612877.db2.gz	NTVGVPVKCXKSDN-UHFFFAOYSA-N	1	1	403.567	1.939	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@@H]([C@H]4CCCO4)C3)CC2)cc1	ZINC000674913751	1074618374	/nfs/dbraw/zinc/61/83/74/1074618374.db2.gz	MNRNATKJAXLFQX-FGZHOGPDSA-N	1	1	401.551	1.909	20	0		HDADMO
O=C(C[NH+]1CCC(OCCCO)CC1)NCc1ccccc1CN1CCCC1=O	ZINC000674913301	1074619361	/nfs/dbraw/zinc/61/93/61/1074619361.db2.gz	HYMDPBXZPHZTPW-UHFFFAOYSA-N	1	1	403.523	1.289	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1	ZINC000674922681	1074623106	/nfs/dbraw/zinc/62/31/06/1074623106.db2.gz	PUDGCXXZQDEJMM-SFTDATJTSA-N	1	1	421.538	1.733	20	0		HDADMO
O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC000674916900	1074627401	/nfs/dbraw/zinc/62/74/01/1074627401.db2.gz	GXAMURUBFUDOHN-YADHBBJMSA-N	1	1	416.566	1.784	20	0		HDADMO
C[C@H](CNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+]1CCN(c2ccccc2)CC1	ZINC000674916999	1074627423	/nfs/dbraw/zinc/62/74/23/1074627423.db2.gz	SYYKAPPOLRZEMG-GIVPXCGWSA-N	1	1	402.539	1.787	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1	ZINC000674979827	1074651683	/nfs/dbraw/zinc/65/16/83/1074651683.db2.gz	IYQXSINYPOBEDO-PMACEKPBSA-N	1	1	416.522	1.876	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(OCCCO)CC1	ZINC000674982410	1074658425	/nfs/dbraw/zinc/65/84/25/1074658425.db2.gz	COQNBPLNTRUDNZ-LJQANCHMSA-N	1	1	404.555	1.770	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000429309012	1074668939	/nfs/dbraw/zinc/66/89/39/1074668939.db2.gz	MHUJIQMZFXTCOS-LSDHHAIUSA-N	1	1	410.540	1.074	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)Nc3cnn(CCO)c3)c2)C[C@H](C)O1	ZINC000674994291	1074669311	/nfs/dbraw/zinc/66/93/11/1074669311.db2.gz	NOJOMSDKCLYMIW-GASCZTMLSA-N	1	1	401.467	1.062	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)Nc3cnn(CCO)c3)c2)C[C@H](C)O1	ZINC000674994291	1074669318	/nfs/dbraw/zinc/66/93/18/1074669318.db2.gz	NOJOMSDKCLYMIW-GASCZTMLSA-N	1	1	401.467	1.062	20	0		HDADMO
O=C(CCc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1	ZINC000674997876	1074674458	/nfs/dbraw/zinc/67/44/58/1074674458.db2.gz	RLHKTBTZQGPOPQ-LEWJYISDSA-N	1	1	414.550	1.726	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O	ZINC000675002470	1074683298	/nfs/dbraw/zinc/68/32/98/1074683298.db2.gz	FDTZKHHKHPNGQH-ROUUACIJSA-N	1	1	415.538	1.222	20	0		HDADMO
COc1c(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)cnn1C	ZINC001128930329	1074693239	/nfs/dbraw/zinc/69/32/39/1074693239.db2.gz	GEBNHACBJWQSQY-UHFFFAOYSA-N	1	1	409.288	1.590	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)CCN2C1=O	ZINC000675083927	1074699924	/nfs/dbraw/zinc/69/99/24/1074699924.db2.gz	DMJIGJXACQTTQS-JKSUJKDBSA-N	1	1	407.902	1.621	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1[C@H](C)C1CC1	ZINC000438776499	1074708674	/nfs/dbraw/zinc/70/86/74/1074708674.db2.gz	AEGFCMJBIXQJND-IMBTUZDBSA-N	1	1	417.554	2.201	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1[C@@H](C)C1CC1	ZINC000438776506	1074708777	/nfs/dbraw/zinc/70/87/77/1074708777.db2.gz	AEGFCMJBIXQJND-LSTDLKDCSA-N	1	1	417.554	2.201	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](C)[N@@H+]3CCc4sccc4C3)CCN2C1=O	ZINC000675089801	1074712376	/nfs/dbraw/zinc/71/23/76/1074712376.db2.gz	STJWHMAZRVTWSD-UKRRQHHQSA-N	1	1	405.524	1.173	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](C)[N@H+]3CCc4sccc4C3)CCN2C1=O	ZINC000675089801	1074712388	/nfs/dbraw/zinc/71/23/88/1074712388.db2.gz	STJWHMAZRVTWSD-UKRRQHHQSA-N	1	1	405.524	1.173	20	0		HDADMO
CN(C[C@@H](O)C1CC1)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000675091568	1074713855	/nfs/dbraw/zinc/71/38/55/1074713855.db2.gz	VEJRUOISTPTXMV-LJQANCHMSA-N	1	1	404.511	1.260	20	0		HDADMO
O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N[C@H]2CC[C@@H](CO)CC2)c1	ZINC000675091427	1074714379	/nfs/dbraw/zinc/71/43/79/1074714379.db2.gz	MCZQSBDXNDNDDJ-IZAXUBKRSA-N	1	1	418.538	1.698	20	0		HDADMO
COCCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000675112711	1074717615	/nfs/dbraw/zinc/71/76/15/1074717615.db2.gz	SLOZODRAYHMGDI-FXAWDEMLSA-N	1	1	402.539	1.834	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)CCN2C1=O	ZINC000675105512	1074721133	/nfs/dbraw/zinc/72/11/33/1074721133.db2.gz	OWDCDMSNNHYAJS-ZOBUZTSGSA-N	1	1	419.551	1.809	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)s1	ZINC000438325147	1074723121	/nfs/dbraw/zinc/72/31/21/1074723121.db2.gz	HZSKRGRWGWJZQK-UHFFFAOYSA-N	1	1	424.571	1.716	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)C1	ZINC000675111851	1074724443	/nfs/dbraw/zinc/72/44/43/1074724443.db2.gz	IHTKEGREFTZZPY-SJORKVTESA-N	1	1	406.962	1.735	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)CC2)C1	ZINC000675111848	1074724476	/nfs/dbraw/zinc/72/44/76/1074724476.db2.gz	IHTKEGREFTZZPY-DLBZAZTESA-N	1	1	406.962	1.735	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1COc2c1cccc2Cl	ZINC000675118792	1074727061	/nfs/dbraw/zinc/72/70/61/1074727061.db2.gz	WZUSTNDPXCDEFO-IRXDYDNUSA-N	1	1	407.898	1.603	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1	ZINC000462662172	1074727398	/nfs/dbraw/zinc/72/73/98/1074727398.db2.gz	NNRSWRUKSBXMTC-DZGCQCFKSA-N	1	1	403.508	2.286	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2C)C1=O	ZINC000675127763	1074733066	/nfs/dbraw/zinc/73/30/66/1074733066.db2.gz	ZPDXHUDNYGIATQ-INIZCTEOSA-N	1	1	413.478	1.018	20	0		HDADMO
COCCc1noc(CN(C)C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)n1	ZINC000675155872	1074747320	/nfs/dbraw/zinc/74/73/20/1074747320.db2.gz	GMWQUOHLHGLGGD-MRXNPFEDSA-N	1	1	416.482	1.372	20	0		HDADMO
COCCc1noc(CN(C)C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)n1	ZINC000675155872	1074747331	/nfs/dbraw/zinc/74/73/31/1074747331.db2.gz	GMWQUOHLHGLGGD-MRXNPFEDSA-N	1	1	416.482	1.372	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1-c1ccc(C)cc1	ZINC000539431722	1074754499	/nfs/dbraw/zinc/75/44/99/1074754499.db2.gz	VZWLAFYIVRLXAU-LJQANCHMSA-N	1	1	413.522	1.901	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)nn1C1CCCCC1	ZINC000578823118	1074763743	/nfs/dbraw/zinc/76/37/43/1074763743.db2.gz	ICJNVIXNJGUHAF-INIZCTEOSA-N	1	1	404.559	1.777	20	0		HDADMO
CCOC1CCN(c2nc(NCCOC)[nH+]c(N3CCC(OCC)CC3)n2)CC1	ZINC000675214002	1074765361	/nfs/dbraw/zinc/76/53/61/1074765361.db2.gz	MLBNJPVZIOAADM-UHFFFAOYSA-N	1	1	408.547	1.362	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC[C@@H]21	ZINC000766100339	1074770073	/nfs/dbraw/zinc/77/00/73/1074770073.db2.gz	ZXQIXSUTIUZWLG-FNXXIHLHSA-N	1	1	402.470	1.535	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)C1	ZINC000675263330	1074774095	/nfs/dbraw/zinc/77/40/95/1074774095.db2.gz	FCUVYIDFDXUTEI-GOSISDBHSA-N	1	1	400.523	1.577	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1	ZINC000675287151	1074780430	/nfs/dbraw/zinc/78/04/30/1074780430.db2.gz	WEYGUTXJQMCWIW-IRXDYDNUSA-N	1	1	414.531	1.649	20	0		HDADMO
Cc1cc(NC(=O)C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)no1	ZINC000591142597	1074782231	/nfs/dbraw/zinc/78/22/31/1074782231.db2.gz	QGBSEHLABHDBLP-LBPRGKRZSA-N	1	1	417.441	2.512	20	0		HDADMO
Cc1cc(NC(=O)C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)no1	ZINC000591142597	1074782238	/nfs/dbraw/zinc/78/22/38/1074782238.db2.gz	QGBSEHLABHDBLP-LBPRGKRZSA-N	1	1	417.441	2.512	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1)[NH+]1CCOCC1	ZINC000554748415	1074786041	/nfs/dbraw/zinc/78/60/41/1074786041.db2.gz	AGIXNVROVVUREX-APWZRJJASA-N	1	1	419.570	2.354	20	0		HDADMO
Cc1cc(NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C	ZINC000555276480	1074796855	/nfs/dbraw/zinc/79/68/55/1074796855.db2.gz	YAABQRSFOGUFGN-KRWDZBQOSA-N	1	1	407.478	1.949	20	0		HDADMO
CN(C(=O)Cc1ccc(O)cc1Cl)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000509322918	1074798509	/nfs/dbraw/zinc/79/85/09/1074798509.db2.gz	YQRQVXOVWRENTA-UHFFFAOYSA-N	1	1	422.957	1.285	20	0		HDADMO
C[C@@]1(c2ccccc2)CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1	ZINC000675310303	1074800506	/nfs/dbraw/zinc/80/05/06/1074800506.db2.gz	TZELIWYAMDAKBI-IRLDBZIGSA-N	1	1	402.539	1.350	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC3(CC2)OCc2ccccc23)C1	ZINC000675325857	1074807506	/nfs/dbraw/zinc/80/75/06/1074807506.db2.gz	SHYVUNXCKHVXGS-HXUWFJFHSA-N	1	1	401.551	1.981	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675326778	1074807946	/nfs/dbraw/zinc/80/79/46/1074807946.db2.gz	ZXKICLDEIXIXQK-OAUYIBNBSA-N	1	1	404.898	1.160	20	0		HDADMO
Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1S(=O)(=O)N1CCOCC1	ZINC001128983252	1074808426	/nfs/dbraw/zinc/80/84/26/1074808426.db2.gz	WQOJPEMZUQTQLU-AYHJJNSGSA-N	1	1	407.536	1.371	20	0		HDADMO
C[C@@H](C[C@@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000675366876	1074818584	/nfs/dbraw/zinc/81/85/84/1074818584.db2.gz	DTXZGHSGXNKWCL-IRXDYDNUSA-N	1	1	424.567	1.949	20	0		HDADMO
C[C@@H](C[C@@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000675366876	1074818593	/nfs/dbraw/zinc/81/85/93/1074818593.db2.gz	DTXZGHSGXNKWCL-IRXDYDNUSA-N	1	1	424.567	1.949	20	0		HDADMO
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429333373	1074819716	/nfs/dbraw/zinc/81/97/16/1074819716.db2.gz	YTAXDWBRRSJGAZ-ZWKOTPCHSA-N	1	1	411.568	1.358	20	0		HDADMO
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429337300	1075102666	/nfs/dbraw/zinc/10/26/66/1075102666.db2.gz	XWZQMULDEKKPJR-SFHVURJKSA-N	1	1	409.490	1.281	20	0		HDADMO
COCCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000509328345	1075102959	/nfs/dbraw/zinc/10/29/59/1075102959.db2.gz	RICPCLXKBJKVNJ-OAQYLSRUSA-N	1	1	409.596	1.724	20	0		HDADMO
C[C@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1	ZINC000509330865	1075111519	/nfs/dbraw/zinc/11/15/19/1075111519.db2.gz	JDSDDCAVOJKXDR-QRVBRYPASA-N	1	1	407.603	1.881	20	0		HDADMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1	ZINC000509330863	1075111547	/nfs/dbraw/zinc/11/15/47/1075111547.db2.gz	JDSDDCAVOJKXDR-CEXWTWQISA-N	1	1	407.603	1.881	20	0		HDADMO
CCCN(C(=O)C(=O)Nc1ccc(OC)nn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000570063290	1075115396	/nfs/dbraw/zinc/11/53/96/1075115396.db2.gz	DYOBDBWBRZGTJV-GOSISDBHSA-N	1	1	411.506	2.327	20	0		HDADMO
O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000675379812	1075119176	/nfs/dbraw/zinc/11/91/76/1075119176.db2.gz	PBOTVHODYOIKDV-PBFPGSCMSA-N	1	1	422.888	1.444	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCN(c2nccs2)CC1	ZINC000143423649	1075124538	/nfs/dbraw/zinc/12/45/38/1075124538.db2.gz	WUZJCIKOJRMHAX-SFHVURJKSA-N	1	1	414.531	1.782	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCN(c2nccs2)CC1	ZINC000143423649	1075124543	/nfs/dbraw/zinc/12/45/43/1075124543.db2.gz	WUZJCIKOJRMHAX-SFHVURJKSA-N	1	1	414.531	1.782	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1	ZINC000675404852	1075129617	/nfs/dbraw/zinc/12/96/17/1075129617.db2.gz	VIALUVQGTIKBBP-ICSRJNTNSA-N	1	1	424.549	1.669	20	0		HDADMO
CC[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000429345346	1075145199	/nfs/dbraw/zinc/14/51/99/1075145199.db2.gz	CNBNTELRQQOLCY-UTKZUKDTSA-N	1	1	402.495	1.114	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1	ZINC000526137771	1075150374	/nfs/dbraw/zinc/15/03/74/1075150374.db2.gz	WCLUHTVWBYMJOQ-MRXNPFEDSA-N	1	1	415.494	1.890	20	0		HDADMO
COCCCn1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1	ZINC000494098760	1075156607	/nfs/dbraw/zinc/15/66/07/1075156607.db2.gz	OSACJHJQJBKDIP-RTBURBONSA-N	1	1	401.511	1.924	20	0		HDADMO
COC[C@@H](O)C(=O)OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000766136246	1075159326	/nfs/dbraw/zinc/15/93/26/1075159326.db2.gz	GOXNXRUDMNJVKQ-HXUWFJFHSA-N	1	1	412.486	1.471	20	0		HDADMO
O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000429348405	1075160074	/nfs/dbraw/zinc/16/00/74/1075160074.db2.gz	JSSMICQWHFHXCV-RBUKOAKNSA-N	1	1	423.517	1.924	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNS(=O)(=O)CC[C@H]3CCCO3)c2)C1	ZINC000675461606	1075163017	/nfs/dbraw/zinc/16/30/17/1075163017.db2.gz	WYYPVNGQKITFDO-RBUKOAKNSA-N	1	1	409.552	1.372	20	0		HDADMO
COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1	ZINC000537392852	1075164603	/nfs/dbraw/zinc/16/46/03/1075164603.db2.gz	SLQOGGGKFMNDOU-UHFFFAOYSA-N	1	1	407.902	1.857	20	0		HDADMO
CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675467474	1075166568	/nfs/dbraw/zinc/16/65/68/1075166568.db2.gz	WXLDEJMKBBSOFJ-MRXNPFEDSA-N	1	1	421.611	1.941	20	0		HDADMO
CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccn1	ZINC000766148383	1075175036	/nfs/dbraw/zinc/17/50/36/1075175036.db2.gz	NRLFXJXHCBKVBB-MSOLQXFVSA-N	1	1	404.511	1.778	20	0		HDADMO
Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1	ZINC000675496922	1075177384	/nfs/dbraw/zinc/17/73/84/1075177384.db2.gz	YMTIXTIPIAHLPV-QGZVFWFLSA-N	1	1	417.489	1.235	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1	ZINC000675497431	1075178915	/nfs/dbraw/zinc/17/89/15/1075178915.db2.gz	HNXFDYKCVNSJNX-GOSISDBHSA-N	1	1	409.469	1.946	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cccn2)C[N@H+]1Cc1ccccc1	ZINC000466683942	1075183174	/nfs/dbraw/zinc/18/31/74/1075183174.db2.gz	PTGZJKMXGAOLBM-FUHWJXTLSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2-n2cccn2)C[N@H+]1Cc1ccccc1	ZINC000466683944	1075183249	/nfs/dbraw/zinc/18/32/49/1075183249.db2.gz	PTGZJKMXGAOLBM-WMZOPIPTSA-N	1	1	404.474	1.985	20	0		HDADMO
CC[C@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500868	1075185629	/nfs/dbraw/zinc/18/56/29/1075185629.db2.gz	OSGUQPCASRYBIE-PMACEKPBSA-N	1	1	402.539	1.930	20	0		HDADMO
CC[C@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500868	1075185631	/nfs/dbraw/zinc/18/56/31/1075185631.db2.gz	OSGUQPCASRYBIE-PMACEKPBSA-N	1	1	402.539	1.930	20	0		HDADMO
COc1cc(NC(=O)CC[NH+]2CCC(S(C)(=O)=O)CC2)cc(OC)c1OC	ZINC000675505127	1075186807	/nfs/dbraw/zinc/18/68/07/1075186807.db2.gz	WDDCOBZFXMJCIZ-UHFFFAOYSA-N	1	1	400.497	1.550	20	0		HDADMO
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21	ZINC000675511943	1075191167	/nfs/dbraw/zinc/19/11/67/1075191167.db2.gz	ZUCWUFBMCROQMR-HNNXBMFYSA-N	1	1	420.473	1.846	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1	ZINC000675532873	1075192706	/nfs/dbraw/zinc/19/27/06/1075192706.db2.gz	XXHCTLCKUQUFRV-INIZCTEOSA-N	1	1	423.508	1.597	20	0		HDADMO
COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@H]1C(C)C	ZINC000429355302	1075193040	/nfs/dbraw/zinc/19/30/40/1075193040.db2.gz	QQDIVVYHSZTWFY-LRDDRELGSA-N	1	1	417.915	1.445	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@H]1C(C)C	ZINC000429355302	1075193043	/nfs/dbraw/zinc/19/30/43/1075193043.db2.gz	QQDIVVYHSZTWFY-LRDDRELGSA-N	1	1	417.915	1.445	20	0		HDADMO
C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1	ZINC000675537267	1075193917	/nfs/dbraw/zinc/19/39/17/1075193917.db2.gz	OSOLOCCNPPWKLD-AEFFLSMTSA-N	1	1	414.510	1.503	20	0		HDADMO
COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)[C@H]1C(C)C	ZINC000429354837	1075194601	/nfs/dbraw/zinc/19/46/01/1075194601.db2.gz	PJFLGHFDECEYFI-KSSFIOAISA-N	1	1	404.446	1.568	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)[C@H]1C(C)C	ZINC000429354837	1075194605	/nfs/dbraw/zinc/19/46/05/1075194605.db2.gz	PJFLGHFDECEYFI-KSSFIOAISA-N	1	1	404.446	1.568	20	0		HDADMO
Cc1nc2sccn2c(=O)c1CC[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1	ZINC000509347603	1075195413	/nfs/dbraw/zinc/19/54/13/1075195413.db2.gz	ATRLKTPMHCIRLN-MRXNPFEDSA-N	1	1	403.552	1.235	20	0		HDADMO
O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000429357863	1075199778	/nfs/dbraw/zinc/19/97/78/1075199778.db2.gz	XNHPUQXHABXWCC-QFIPXVFZSA-N	1	1	409.490	1.678	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)no1	ZINC000497380498	1075202768	/nfs/dbraw/zinc/20/27/68/1075202768.db2.gz	CCNSSZZZRKPPRC-LSDHHAIUSA-N	1	1	410.540	1.755	20	0		HDADMO
Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000675562562	1075203768	/nfs/dbraw/zinc/20/37/68/1075203768.db2.gz	LCCAMPBPSCNSKO-HXUWFJFHSA-N	1	1	404.530	1.420	20	0		HDADMO
Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675562562	1075203770	/nfs/dbraw/zinc/20/37/70/1075203770.db2.gz	LCCAMPBPSCNSKO-HXUWFJFHSA-N	1	1	404.530	1.420	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1	ZINC000521374408	1075207729	/nfs/dbraw/zinc/20/77/29/1075207729.db2.gz	YBGNYERQWUJKHN-GOSISDBHSA-N	1	1	413.522	1.885	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1=O	ZINC000675572764	1075208894	/nfs/dbraw/zinc/20/88/94/1075208894.db2.gz	CLAAAUDLECXIPV-IPMKNSEASA-N	1	1	404.555	1.227	20	0		HDADMO
CN(C(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675576400	1075209721	/nfs/dbraw/zinc/20/97/21/1075209721.db2.gz	KYOOOPNZRIAUFO-KRWDZBQOSA-N	1	1	420.510	1.889	20	0		HDADMO
O=C(Nc1nnc2ccccn21)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000572551855	1075215910	/nfs/dbraw/zinc/21/59/10/1075215910.db2.gz	QTIKWHAEMYWSIY-IBGZPJMESA-N	1	1	405.506	2.153	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1	ZINC000426694952	1075221526	/nfs/dbraw/zinc/22/15/26/1075221526.db2.gz	LICAHRPKYSBQGU-QGZVFWFLSA-N	1	1	413.522	2.152	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1	ZINC000426694952	1075221532	/nfs/dbraw/zinc/22/15/32/1075221532.db2.gz	LICAHRPKYSBQGU-QGZVFWFLSA-N	1	1	413.522	2.152	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1	ZINC000466690111	1075222927	/nfs/dbraw/zinc/22/29/27/1075222927.db2.gz	OTIITXYHKQCIAD-GOSISDBHSA-N	1	1	406.600	1.923	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1	ZINC000562894769	1075226865	/nfs/dbraw/zinc/22/68/65/1075226865.db2.gz	FMHUXFPAGAYQRF-OAHLLOKOSA-N	1	1	405.449	2.388	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNc3ccc(S(=O)(=O)NC)cn3)cc2)CC1	ZINC000486966462	1075232883	/nfs/dbraw/zinc/23/28/83/1075232883.db2.gz	LMBAEEVTXJPYMC-UHFFFAOYSA-N	1	1	403.552	1.739	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1	ZINC000675595556	1075233683	/nfs/dbraw/zinc/23/36/83/1075233683.db2.gz	VLFJRDQWBIEVAI-SOLBZPMBSA-N	1	1	405.543	1.873	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1	ZINC000675601285	1075238681	/nfs/dbraw/zinc/23/86/81/1075238681.db2.gz	HFYXASFKTYBDJH-UHFFFAOYSA-N	1	1	424.505	1.187	20	0		HDADMO
C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+](C2CCC2)C1	ZINC000429365871	1075240652	/nfs/dbraw/zinc/24/06/52/1075240652.db2.gz	KEDWPLUIGUXFCK-MRXNPFEDSA-N	1	1	408.568	1.682	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2cnn3ncccc23)CC1	ZINC001129032869	1075243235	/nfs/dbraw/zinc/24/32/35/1075243235.db2.gz	CRLIXNKEDHQUOH-UHFFFAOYSA-N	1	1	416.283	1.891	20	0		HDADMO
CN(c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000675652714	1075247728	/nfs/dbraw/zinc/24/77/28/1075247728.db2.gz	SRWFCSGUEHVCCC-RTBURBONSA-N	1	1	424.567	1.525	20	0		HDADMO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c2ccccc2O1	ZINC000675631958	1075248565	/nfs/dbraw/zinc/24/85/65/1075248565.db2.gz	QOIBNIDHNHRSTC-HNNXBMFYSA-N	1	1	422.528	1.534	20	0		HDADMO
O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCN(C(=O)N2CCCCC2)CC1	ZINC000675655898	1075250373	/nfs/dbraw/zinc/25/03/73/1075250373.db2.gz	GULINTXALBQVNH-MOPGFXCFSA-N	1	1	407.559	1.563	20	0		HDADMO
CC(C)(CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)Oc1cc(F)cc(F)c1	ZINC000509361947	1075254528	/nfs/dbraw/zinc/25/45/28/1075254528.db2.gz	YFUSVTZHHOUIHN-LJQANCHMSA-N	1	1	401.454	1.505	20	0		HDADMO
Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000675716851	1075259850	/nfs/dbraw/zinc/25/98/50/1075259850.db2.gz	OFXYWAGSKARJAL-AABGKKOBSA-N	1	1	405.539	1.986	20	0		HDADMO
C[C@H]1CN(CCCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@H](C)O1	ZINC000543644281	1075263381	/nfs/dbraw/zinc/26/33/81/1075263381.db2.gz	IFNXMBRWLXKHMQ-PMACEKPBSA-N	1	1	409.619	1.545	20	0		HDADMO
O=c1[nH]c2cc(Br)c(S(=O)(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2[nH]1	ZINC000675756040	1075265183	/nfs/dbraw/zinc/26/51/83/1075265183.db2.gz	XHLROTIYFDSRQZ-JTQLQIEISA-N	1	1	415.313	1.794	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000804221123	1075266421	/nfs/dbraw/zinc/26/64/21/1075266421.db2.gz	QWEIQNQNFMTUCX-HNNXBMFYSA-N	1	1	406.502	1.523	20	0		HDADMO
C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000675742408	1075266762	/nfs/dbraw/zinc/26/67/62/1075266762.db2.gz	OLPSFAKUIVUITH-SFHVURJKSA-N	1	1	424.611	1.384	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)CC1	ZINC000509366868	1075273082	/nfs/dbraw/zinc/27/30/82/1075273082.db2.gz	XZKHGJZCXDEFHP-UHFFFAOYSA-N	1	1	412.481	1.928	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCCCC[C@H]3C)n2)c1C	ZINC000434582932	1075278004	/nfs/dbraw/zinc/27/80/04/1075278004.db2.gz	DVHWIYGWJDFBNO-CQSZACIVSA-N	1	1	400.483	2.076	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[N@H+]1Cc1ccccc1	ZINC000466701867	1075282238	/nfs/dbraw/zinc/28/22/38/1075282238.db2.gz	GZHOKAOGWSLYGU-YOEHRIQHSA-N	1	1	408.458	1.735	20	0		HDADMO
CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)C[C@@H]2C)CC1	ZINC000675870184	1075285774	/nfs/dbraw/zinc/28/57/74/1075285774.db2.gz	YMPUBBPJRXRUHM-ILZDJORESA-N	1	1	418.538	1.435	20	0		HDADMO
O=C(NCCc1c(Cl)cccc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000479070145	1075286646	/nfs/dbraw/zinc/28/66/46/1075286646.db2.gz	LLHULRJJHKGBLJ-AWEZNQCLSA-N	1	1	414.333	1.833	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)[C@H]1C(C)C	ZINC000429381948	1075287003	/nfs/dbraw/zinc/28/70/03/1075287003.db2.gz	NZAYDOBNIDHRBI-ICSRJNTNSA-N	1	1	416.522	1.882	20	0		HDADMO
CC(C)N1CC[C@@H]([N@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1=O	ZINC001035207592	1075288667	/nfs/dbraw/zinc/28/86/67/1075288667.db2.gz	XMMIHAROEZICRV-FZWBFHRNSA-N	1	1	401.551	1.734	20	0		HDADMO
Cc1ccc(NCCCNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)[nH+]c1	ZINC000426482835	1075301331	/nfs/dbraw/zinc/30/13/31/1075301331.db2.gz	ASFIJKPNJNSMAT-OAQYLSRUSA-N	1	1	401.511	2.199	20	0		HDADMO
OC[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1cccc(Br)c1	ZINC000428685430	1075307099	/nfs/dbraw/zinc/30/70/99/1075307099.db2.gz	XMWFAMXYDXZJJG-HNNXBMFYSA-N	1	1	407.312	2.339	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2noc(-c3cccs3)n2)CC1	ZINC000675967249	1075311446	/nfs/dbraw/zinc/31/14/46/1075311446.db2.gz	CZKAIFYIALNFTH-ZDUSSCGKSA-N	1	1	404.496	1.246	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1	ZINC000675971130	1075312633	/nfs/dbraw/zinc/31/26/33/1075312633.db2.gz	MXZDCSDMAVTSBB-UHFFFAOYSA-N	1	1	404.492	1.588	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC(c4cccc(F)c4)=NO3)CC2)CC1	ZINC000731351385	1075315388	/nfs/dbraw/zinc/31/53/88/1075315388.db2.gz	OILWJRPPMBVOCG-HXUWFJFHSA-N	1	1	416.497	1.721	20	0		HDADMO
Cc1cc2c(c(F)c1)N(CN1CCC(CC(=O)N3CC[NH+](C)CC3)CC1)C(=O)C2=O	ZINC000731354898	1075317852	/nfs/dbraw/zinc/31/78/52/1075317852.db2.gz	XBCAXNLLWRNDCZ-UHFFFAOYSA-N	1	1	416.497	1.497	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(CN3C(=O)CN(c4ccccc4)C3=O)CC2)CC1	ZINC000731354906	1075317872	/nfs/dbraw/zinc/31/78/72/1075317872.db2.gz	XLHVRAAWWQNALL-UHFFFAOYSA-N	1	1	413.522	1.289	20	0		HDADMO
CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1	ZINC000429386744	1075318817	/nfs/dbraw/zinc/31/88/17/1075318817.db2.gz	NJTRUGFZIYLWTE-MOPGFXCFSA-N	1	1	419.957	1.867	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)CC1	ZINC000731356643	1075319846	/nfs/dbraw/zinc/31/98/46/1075319846.db2.gz	ZQQPPBNPHLJWTD-UHFFFAOYSA-N	1	1	417.485	1.476	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(C=O)n[nH]c3c2)C1	ZINC000766191007	1075324241	/nfs/dbraw/zinc/32/42/41/1075324241.db2.gz	XIWQBDQFWUSCIR-OAHLLOKOSA-N	1	1	402.451	1.005	20	0		HDADMO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(C=O)[nH]nc3c2)C1	ZINC000766191007	1075324247	/nfs/dbraw/zinc/32/42/47/1075324247.db2.gz	XIWQBDQFWUSCIR-OAHLLOKOSA-N	1	1	402.451	1.005	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(C=O)[nH]nc3c2)C1	ZINC000766191007	1075324252	/nfs/dbraw/zinc/32/42/52/1075324252.db2.gz	XIWQBDQFWUSCIR-OAHLLOKOSA-N	1	1	402.451	1.005	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1	ZINC000731401002	1075330032	/nfs/dbraw/zinc/33/00/32/1075330032.db2.gz	IUJLQAOWHSFRMX-FGTMMUONSA-N	1	1	423.535	1.624	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1	ZINC000676055069	1075334296	/nfs/dbraw/zinc/33/42/96/1075334296.db2.gz	CUDHOVJROFHNDY-YJLNNSPDSA-N	1	1	407.536	1.499	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)nn2)[NH+]2CCCC2)o1	ZINC000551417171	1075334720	/nfs/dbraw/zinc/33/47/20/1075334720.db2.gz	UIOOOIIUCOWAIC-HNNXBMFYSA-N	1	1	401.467	2.057	20	0		HDADMO
COCC(=O)NC1CC[NH+](CC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)CC1	ZINC000676038630	1075337184	/nfs/dbraw/zinc/33/71/84/1075337184.db2.gz	UNMMEOVPHIJDPN-UHFFFAOYSA-N	1	1	400.483	1.254	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+](C)CCOC(C)(C)C	ZINC000676041768	1075338458	/nfs/dbraw/zinc/33/84/58/1075338458.db2.gz	NVDOBKNTPMLRDM-UHFFFAOYSA-N	1	1	411.568	1.963	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)CCOC(C)(C)C	ZINC000676041768	1075338460	/nfs/dbraw/zinc/33/84/60/1075338460.db2.gz	NVDOBKNTPMLRDM-UHFFFAOYSA-N	1	1	411.568	1.963	20	0		HDADMO
Cc1ccn(-c2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)n1	ZINC000676048842	1075340262	/nfs/dbraw/zinc/34/02/62/1075340262.db2.gz	VXOBIFQGHWVLMH-HXUWFJFHSA-N	1	1	412.538	1.386	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(COC2CCOCC2)c1	ZINC000676050875	1075341247	/nfs/dbraw/zinc/34/12/47/1075341247.db2.gz	CPXQNXYSGXAVPZ-NRFANRHFSA-N	1	1	417.550	1.519	20	0		HDADMO
Cc1c(C(=O)N2CCS[C@H]3COCC[C@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676072613	1075342991	/nfs/dbraw/zinc/34/29/91/1075342991.db2.gz	NFTFUZBDKVTPEG-MOPGFXCFSA-N	1	1	413.547	1.910	20	0		HDADMO
CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1	ZINC000466711846	1075346821	/nfs/dbraw/zinc/34/68/21/1075346821.db2.gz	DUHMOYOJQUKMTB-VQIMIIECSA-N	1	1	424.501	1.529	20	0		HDADMO
CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000804082727	1075349763	/nfs/dbraw/zinc/34/97/63/1075349763.db2.gz	SVUZCKAFIVEAPH-DNBYOKIBSA-N	1	1	419.566	1.805	20	0		HDADMO
COC(=O)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H](C(=O)OC)C1	ZINC000509381775	1075352192	/nfs/dbraw/zinc/35/21/92/1075352192.db2.gz	ZGWSTUDWJVBDBV-OALUTQOASA-N	1	1	417.506	1.001	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)N2CCCC2)cc1	ZINC000676093452	1075354362	/nfs/dbraw/zinc/35/43/62/1075354362.db2.gz	JNBYIGBFPNNIFW-HXUWFJFHSA-N	1	1	412.538	1.645	20	0		HDADMO
Cc1c(C(=O)N(C)Cc2cccc(C(N)=O)c2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000731461090	1075355946	/nfs/dbraw/zinc/35/59/46/1075355946.db2.gz	IMPAMLJPTPVNRD-UHFFFAOYSA-N	1	1	418.501	1.935	20	0		HDADMO
C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCN1Cc1ccccc1	ZINC000676097152	1075362103	/nfs/dbraw/zinc/36/21/03/1075362103.db2.gz	IYFWMJCGRDRPFK-GOSISDBHSA-N	1	1	412.538	1.506	20	0		HDADMO
Cc1c(C(=O)Oc2ccc(-n3cnnn3)cc2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731458104	1075364638	/nfs/dbraw/zinc/36/46/38/1075364638.db2.gz	LBKVGHUZEZPEPZ-UHFFFAOYSA-N	1	1	416.445	1.759	20	0		HDADMO
CN(C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000804086714	1075370105	/nfs/dbraw/zinc/37/01/05/1075370105.db2.gz	CDPWXZZXTFEMOS-INMHGKMJSA-N	1	1	408.543	1.634	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731531631	1075377392	/nfs/dbraw/zinc/37/73/92/1075377392.db2.gz	FPYVDHVUCWKWRA-CVEARBPZSA-N	1	1	404.467	1.463	20	0		HDADMO
COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)cc1	ZINC000562135450	1075377911	/nfs/dbraw/zinc/37/79/11/1075377911.db2.gz	BIBLWYLJKNDHAZ-HNNXBMFYSA-N	1	1	408.462	2.054	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804092391	1075391584	/nfs/dbraw/zinc/39/15/84/1075391584.db2.gz	JWTORBYBXJHKDA-VQHPVUNQSA-N	1	1	410.559	1.737	20	0		HDADMO
O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676148481	1075399062	/nfs/dbraw/zinc/39/90/62/1075399062.db2.gz	WKIHPBCBFXOYRV-KSZLIROESA-N	1	1	414.472	1.805	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)NCC[N@H+]3CCCC(C)(C)C3)n2)cc1	ZINC000447428098	1075399789	/nfs/dbraw/zinc/39/97/89/1075399789.db2.gz	VVVNLIVCFLWPKV-UHFFFAOYSA-N	1	1	413.522	2.117	20	0		HDADMO
C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)cc2)CC1	ZINC000731601056	1075407048	/nfs/dbraw/zinc/40/70/48/1075407048.db2.gz	WMWBZUORWNMTMK-UHFFFAOYSA-N	1	1	419.485	1.648	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)n2)cc1	ZINC000444903704	1075408694	/nfs/dbraw/zinc/40/86/94/1075408694.db2.gz	OJFRAIZBJQSUFX-INIZCTEOSA-N	1	1	401.511	2.249	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000731621263	1075416543	/nfs/dbraw/zinc/41/65/43/1075416543.db2.gz	DBHLOSROHORPLB-UHFFFAOYSA-N	1	1	412.490	1.610	20	0		HDADMO
COc1cc(C=O)ccc1OCC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000731622134	1075416942	/nfs/dbraw/zinc/41/69/42/1075416942.db2.gz	KSQMKECFWYBWOA-HDICACEKSA-N	1	1	403.523	1.904	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)nn1	ZINC000582657038	1075429594	/nfs/dbraw/zinc/42/95/94/1075429594.db2.gz	XTFHRTHHOIGVFR-KRWDZBQOSA-N	1	1	411.506	2.013	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1	ZINC000731655466	1075438606	/nfs/dbraw/zinc/43/86/06/1075438606.db2.gz	NSNYYDONRLTDEH-SFHVURJKSA-N	1	1	412.534	1.197	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(CN3CCCCC3=O)cc2)CC1	ZINC000731655184	1075439040	/nfs/dbraw/zinc/43/90/40/1075439040.db2.gz	JVSNBRGEKSELQC-UHFFFAOYSA-N	1	1	400.523	1.482	20	0		HDADMO
C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676242549	1075444804	/nfs/dbraw/zinc/44/48/04/1075444804.db2.gz	XQJRKRNWWQEXSH-QFBILLFUSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676242549	1075444811	/nfs/dbraw/zinc/44/48/11/1075444811.db2.gz	XQJRKRNWWQEXSH-QFBILLFUSA-N	1	1	424.567	1.380	20	0		HDADMO
COc1cc(Br)c(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OC	ZINC000676244128	1075445377	/nfs/dbraw/zinc/44/53/77/1075445377.db2.gz	PFMDKXHPZYPTNA-ZBEGNZNMSA-N	1	1	416.316	1.985	20	0		HDADMO
COc1cc(Br)c(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OC	ZINC000676244128	1075445383	/nfs/dbraw/zinc/44/53/83/1075445383.db2.gz	PFMDKXHPZYPTNA-ZBEGNZNMSA-N	1	1	416.316	1.985	20	0		HDADMO
C[C@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676243708	1075445790	/nfs/dbraw/zinc/44/57/90/1075445790.db2.gz	UAVYFMPEWSLHJD-PXNSSMCTSA-N	1	1	402.539	1.629	20	0		HDADMO
C[C@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676243708	1075445795	/nfs/dbraw/zinc/44/57/95/1075445795.db2.gz	UAVYFMPEWSLHJD-PXNSSMCTSA-N	1	1	402.539	1.629	20	0		HDADMO
C[C@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@H]1CN(C)CCO1	ZINC000676245005	1075446278	/nfs/dbraw/zinc/44/62/78/1075446278.db2.gz	YMPMDHFDSYYHRJ-FXAWDEMLSA-N	1	1	423.989	1.870	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676245036	1075446502	/nfs/dbraw/zinc/44/65/02/1075446502.db2.gz	ZEUNNSJTJJRBTP-CRAIPNDOSA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676245036	1075446504	/nfs/dbraw/zinc/44/65/04/1075446504.db2.gz	ZEUNNSJTJJRBTP-CRAIPNDOSA-N	1	1	412.556	1.033	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676244568	1075446892	/nfs/dbraw/zinc/44/68/92/1075446892.db2.gz	VUSMDUJZIIUXBJ-QFBILLFUSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676244568	1075446897	/nfs/dbraw/zinc/44/68/97/1075446897.db2.gz	VUSMDUJZIIUXBJ-QFBILLFUSA-N	1	1	424.567	1.380	20	0		HDADMO
O=C(NCc1cccc2c1OCCCO2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676245579	1075446912	/nfs/dbraw/zinc/44/69/12/1075446912.db2.gz	OJUNDKQREBEFRF-GOSISDBHSA-N	1	1	404.511	1.054	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258984	1075454253	/nfs/dbraw/zinc/45/42/53/1075454253.db2.gz	YOLBCJBLJDMIKQ-OXQOHEQNSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258984	1075454255	/nfs/dbraw/zinc/45/42/55/1075454255.db2.gz	YOLBCJBLJDMIKQ-OXQOHEQNSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258332	1075455921	/nfs/dbraw/zinc/45/59/21/1075455921.db2.gz	SZHOQVZBHBWPJF-CLWJZODNSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258332	1075455924	/nfs/dbraw/zinc/45/59/24/1075455924.db2.gz	SZHOQVZBHBWPJF-CLWJZODNSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@H]1C[N@H+](C)CCO1	ZINC000676259446	1075457107	/nfs/dbraw/zinc/45/71/07/1075457107.db2.gz	VNFFEAOUKGVMNR-DZGCQCFKSA-N	1	1	404.536	1.562	20	0		HDADMO
C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@H]1C[N@@H+](C)CCO1	ZINC000676259446	1075457113	/nfs/dbraw/zinc/45/71/13/1075457113.db2.gz	VNFFEAOUKGVMNR-DZGCQCFKSA-N	1	1	404.536	1.562	20	0		HDADMO
C[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676259216	1075457747	/nfs/dbraw/zinc/45/77/47/1075457747.db2.gz	JGGCJLGMGKEJEX-NHYWBVRUSA-N	1	1	424.295	1.271	20	0		HDADMO
C[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259216	1075457753	/nfs/dbraw/zinc/45/77/53/1075457753.db2.gz	JGGCJLGMGKEJEX-NHYWBVRUSA-N	1	1	424.295	1.271	20	0		HDADMO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676260878	1075458337	/nfs/dbraw/zinc/45/83/37/1075458337.db2.gz	LMVNNVJPXDPKFI-KSSFIOAISA-N	1	1	406.483	1.008	20	0		HDADMO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260878	1075458341	/nfs/dbraw/zinc/45/83/41/1075458341.db2.gz	LMVNNVJPXDPKFI-KSSFIOAISA-N	1	1	406.483	1.008	20	0		HDADMO
C[C@@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1C[N@H+](C)CCO1	ZINC000676262062	1075460130	/nfs/dbraw/zinc/46/01/30/1075460130.db2.gz	VNQXMNJECSOXJS-IAQYHMDHSA-N	1	1	416.291	1.543	20	0		HDADMO
C[C@@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1C[N@@H+](C)CCO1	ZINC000676262062	1075460136	/nfs/dbraw/zinc/46/01/36/1075460136.db2.gz	VNQXMNJECSOXJS-IAQYHMDHSA-N	1	1	416.291	1.543	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262039	1075460162	/nfs/dbraw/zinc/46/01/62/1075460162.db2.gz	VCDGHPBXKGLOEH-KSSFIOAISA-N	1	1	407.492	1.207	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262039	1075460169	/nfs/dbraw/zinc/46/01/69/1075460169.db2.gz	VCDGHPBXKGLOEH-KSSFIOAISA-N	1	1	407.492	1.207	20	0		HDADMO
Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000676262461	1075461574	/nfs/dbraw/zinc/46/15/74/1075461574.db2.gz	ZLSKHVFBZQDZGZ-KBPBESRZSA-N	1	1	404.536	1.942	20	0		HDADMO
Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000676262461	1075461579	/nfs/dbraw/zinc/46/15/79/1075461579.db2.gz	ZLSKHVFBZQDZGZ-KBPBESRZSA-N	1	1	404.536	1.942	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676264153	1075462444	/nfs/dbraw/zinc/46/24/44/1075462444.db2.gz	LSMJWIONHQEPOY-SMDDNHRTSA-N	1	1	424.445	1.368	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676264153	1075462448	/nfs/dbraw/zinc/46/24/48/1075462448.db2.gz	LSMJWIONHQEPOY-SMDDNHRTSA-N	1	1	424.445	1.368	20	0		HDADMO
C[C@@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676264429	1075463825	/nfs/dbraw/zinc/46/38/25/1075463825.db2.gz	RFPHSWCDKVMAAJ-CJNGLKHVSA-N	1	1	407.496	1.116	20	0		HDADMO
C[C@@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676264429	1075463829	/nfs/dbraw/zinc/46/38/29/1075463829.db2.gz	RFPHSWCDKVMAAJ-CJNGLKHVSA-N	1	1	407.496	1.116	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000731681014	1075464326	/nfs/dbraw/zinc/46/43/26/1075464326.db2.gz	DEAKNJYJGYBJAQ-CALCHBBNSA-N	1	1	410.584	1.903	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1C	ZINC000676249146	1075464998	/nfs/dbraw/zinc/46/49/98/1075464998.db2.gz	FEXXQRRTKKCOPE-IEBWSBKVSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1C	ZINC000676249146	1075465002	/nfs/dbraw/zinc/46/50/02/1075465002.db2.gz	FEXXQRRTKKCOPE-IEBWSBKVSA-N	1	1	424.567	1.038	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676249136	1075465010	/nfs/dbraw/zinc/46/50/10/1075465010.db2.gz	FALLLEQGSVHMPR-WBVHZDCISA-N	1	1	409.600	1.987	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676249136	1075465013	/nfs/dbraw/zinc/46/50/13/1075465013.db2.gz	FALLLEQGSVHMPR-WBVHZDCISA-N	1	1	409.600	1.987	20	0		HDADMO
COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676249988	1075466879	/nfs/dbraw/zinc/46/68/79/1075466879.db2.gz	KFQVSHJYCGTJBH-JXFKEZNVSA-N	1	1	406.527	1.645	20	0		HDADMO
COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676249988	1075466883	/nfs/dbraw/zinc/46/68/83/1075466883.db2.gz	KFQVSHJYCGTJBH-JXFKEZNVSA-N	1	1	406.527	1.645	20	0		HDADMO
COc1cc(OC)cc(N2CCCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676249991	1075466928	/nfs/dbraw/zinc/46/69/28/1075466928.db2.gz	KFQVSHJYCGTJBH-UZLBHIALSA-N	1	1	406.527	1.645	20	0		HDADMO
COc1cc(OC)cc(N2CCCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676249991	1075466932	/nfs/dbraw/zinc/46/69/32/1075466932.db2.gz	KFQVSHJYCGTJBH-UZLBHIALSA-N	1	1	406.527	1.645	20	0		HDADMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731683658	1075468264	/nfs/dbraw/zinc/46/82/64/1075468264.db2.gz	IJDWWFKDPAPEKQ-PXNSSMCTSA-N	1	1	422.595	1.630	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676254143	1075471235	/nfs/dbraw/zinc/47/12/35/1075471235.db2.gz	DESFIJJUHJGIIY-GJYPPUQNSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676254143	1075471241	/nfs/dbraw/zinc/47/12/41/1075471241.db2.gz	DESFIJJUHJGIIY-GJYPPUQNSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278117	1075475772	/nfs/dbraw/zinc/47/57/72/1075475772.db2.gz	GAOOEBCDHDLLDV-LPHOPBHVSA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278117	1075475780	/nfs/dbraw/zinc/47/57/80/1075475780.db2.gz	GAOOEBCDHDLLDV-LPHOPBHVSA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@@H]1C[N@H+](C)CCO1	ZINC000676277829	1075477554	/nfs/dbraw/zinc/47/75/54/1075477554.db2.gz	CJEZGBJISYZTDB-LRDDRELGSA-N	1	1	408.886	1.241	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277829	1075477559	/nfs/dbraw/zinc/47/75/59/1075477559.db2.gz	CJEZGBJISYZTDB-LRDDRELGSA-N	1	1	408.886	1.241	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676277769	1075477577	/nfs/dbraw/zinc/47/75/77/1075477577.db2.gz	AWZUGJBDQOILHE-RDTXWAMCSA-N	1	1	423.535	1.177	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277769	1075477581	/nfs/dbraw/zinc/47/75/81/1075477581.db2.gz	AWZUGJBDQOILHE-RDTXWAMCSA-N	1	1	423.535	1.177	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676279142	1075478643	/nfs/dbraw/zinc/47/86/43/1075478643.db2.gz	AJHPEXXIQCMKOY-DNVCBOLYSA-N	1	1	405.495	1.266	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279142	1075478645	/nfs/dbraw/zinc/47/86/45/1075478645.db2.gz	AJHPEXXIQCMKOY-DNVCBOLYSA-N	1	1	405.495	1.266	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676278849	1075479860	/nfs/dbraw/zinc/47/98/60/1075479860.db2.gz	LDNICLCEJBFOGW-VQIMIIECSA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676278849	1075479863	/nfs/dbraw/zinc/47/98/63/1075479863.db2.gz	LDNICLCEJBFOGW-VQIMIIECSA-N	1	1	416.522	1.333	20	0		HDADMO
COc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1Br	ZINC000676278663	1075480257	/nfs/dbraw/zinc/48/02/57/1075480257.db2.gz	JTAVEZCUWARAGL-IINYFYTJSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1Br	ZINC000676278663	1075480262	/nfs/dbraw/zinc/48/02/62/1075480262.db2.gz	JTAVEZCUWARAGL-IINYFYTJSA-N	1	1	400.273	1.232	20	0		HDADMO
CN(C(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000470737438	1075480632	/nfs/dbraw/zinc/48/06/32/1075480632.db2.gz	ONMFEAGSFFNUJX-FQEVSTJZSA-N	1	1	401.555	1.457	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1C[N@H+](C)CCO1	ZINC000676279328	1075481315	/nfs/dbraw/zinc/48/13/15/1075481315.db2.gz	NFZCCFZCHSCMNV-PRHODGIISA-N	1	1	406.227	1.501	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1C[N@@H+](C)CCO1	ZINC000676279328	1075481320	/nfs/dbraw/zinc/48/13/20/1075481320.db2.gz	NFZCCFZCHSCMNV-PRHODGIISA-N	1	1	406.227	1.501	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280010	1075482065	/nfs/dbraw/zinc/48/20/65/1075482065.db2.gz	SKYUUKFPBNGRCO-FOIQADDNSA-N	1	1	407.474	1.799	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280010	1075482076	/nfs/dbraw/zinc/48/20/76/1075482076.db2.gz	SKYUUKFPBNGRCO-FOIQADDNSA-N	1	1	407.474	1.799	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@H]1CN(C)CCO1	ZINC000676279625	1075483852	/nfs/dbraw/zinc/48/38/52/1075483852.db2.gz	PKFQRXUJSYNYRP-WOCWXWTJSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1C[N@H+](C)CCO1	ZINC000676279590	1075483874	/nfs/dbraw/zinc/48/38/74/1075483874.db2.gz	DHCSEGAYMZWXDF-ZYHUDNBSSA-N	1	1	422.379	1.135	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279590	1075483878	/nfs/dbraw/zinc/48/38/78/1075483878.db2.gz	DHCSEGAYMZWXDF-ZYHUDNBSSA-N	1	1	422.379	1.135	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676280446	1075486638	/nfs/dbraw/zinc/48/66/38/1075486638.db2.gz	SZVLMQOHGRUTFO-HZMBPMFUSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280446	1075486641	/nfs/dbraw/zinc/48/66/41/1075486641.db2.gz	SZVLMQOHGRUTFO-HZMBPMFUSA-N	1	1	407.364	1.541	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1ccncc1OCC(F)(F)F	ZINC000466725186	1075488690	/nfs/dbraw/zinc/48/86/90/1075488690.db2.gz	QYPMMDXEZLKIQW-CYBMUJFWSA-N	1	1	403.405	1.162	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OCC(F)(F)F	ZINC000676281581	1075488711	/nfs/dbraw/zinc/48/87/11/1075488711.db2.gz	YTFTYBSFRATHFX-DOMZBBRYSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OCC(F)(F)F	ZINC000676281581	1075488716	/nfs/dbraw/zinc/48/87/16/1075488716.db2.gz	YTFTYBSFRATHFX-DOMZBBRYSA-N	1	1	403.401	1.710	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676281612	1075488758	/nfs/dbraw/zinc/48/87/58/1075488758.db2.gz	ZDRRTOHBSLSSKN-XHDPSFHLSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1	ZINC000676281612	1075488761	/nfs/dbraw/zinc/48/87/61/1075488761.db2.gz	ZDRRTOHBSLSSKN-XHDPSFHLSA-N	1	1	403.401	1.878	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@H]1C[N@H+](C)CCO1	ZINC000676281315	1075489052	/nfs/dbraw/zinc/48/90/52/1075489052.db2.gz	VTBXYDSRBPWWIA-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@H]1C[N@@H+](C)CCO1	ZINC000676281315	1075489056	/nfs/dbraw/zinc/48/90/56/1075489056.db2.gz	VTBXYDSRBPWWIA-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)s1	ZINC000676288947	1075492804	/nfs/dbraw/zinc/49/28/04/1075492804.db2.gz	BSYWQNNYQDYIOW-ZNMIVQPWSA-N	1	1	401.554	1.045	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)s1	ZINC000676288947	1075492805	/nfs/dbraw/zinc/49/28/05/1075492805.db2.gz	BSYWQNNYQDYIOW-ZNMIVQPWSA-N	1	1	401.554	1.045	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676291978	1075496015	/nfs/dbraw/zinc/49/60/15/1075496015.db2.gz	GZPQXYKDDUEOIO-UZLBHIALSA-N	1	1	418.538	1.247	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676291978	1075496017	/nfs/dbraw/zinc/49/60/17/1075496017.db2.gz	GZPQXYKDDUEOIO-UZLBHIALSA-N	1	1	418.538	1.247	20	0		HDADMO
CCC[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)N1CCc2sccc2C1	ZINC000676292684	1075496592	/nfs/dbraw/zinc/49/65/92/1075496592.db2.gz	NLHQAJVQJXAKGX-BHYGNILZSA-N	1	1	408.568	1.820	20	0		HDADMO
CCC[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)N1CCc2sccc2C1	ZINC000676292684	1075496599	/nfs/dbraw/zinc/49/65/99/1075496599.db2.gz	NLHQAJVQJXAKGX-BHYGNILZSA-N	1	1	408.568	1.820	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1	ZINC000676296453	1075499710	/nfs/dbraw/zinc/49/97/10/1075499710.db2.gz	AOODTRSDIBNUHS-AZUAARDMSA-N	1	1	401.555	1.455	20	0		HDADMO
CC[C@H](NC(=O)Nc1ccn(CC(=O)OC)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000473829220	1075500157	/nfs/dbraw/zinc/50/01/57/1075500157.db2.gz	ZUIABXJAADULLX-ROUUACIJSA-N	1	1	415.494	1.857	20	0		HDADMO
CC[C@H](NC(=O)Nc1ccn(CC(=O)OC)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000473829220	1075500166	/nfs/dbraw/zinc/50/01/66/1075500166.db2.gz	ZUIABXJAADULLX-ROUUACIJSA-N	1	1	415.494	1.857	20	0		HDADMO
CC(C)c1nnc(NC(=O)CCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)s1	ZINC000676300448	1075501442	/nfs/dbraw/zinc/50/14/42/1075501442.db2.gz	BACSJWLVUVXZTM-CQSZACIVSA-N	1	1	422.555	1.321	20	0		HDADMO
CCO[C@@H]1COCC[C@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000546825374	1075501720	/nfs/dbraw/zinc/50/17/20/1075501720.db2.gz	SGCVMQHEOGJMDT-WOJBJXKFSA-N	1	1	406.527	1.510	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676303461	1075502645	/nfs/dbraw/zinc/50/26/45/1075502645.db2.gz	CJZLRRJUMJNAMV-QRTARXTBSA-N	1	1	403.445	1.875	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676303461	1075502649	/nfs/dbraw/zinc/50/26/49/1075502649.db2.gz	CJZLRRJUMJNAMV-QRTARXTBSA-N	1	1	403.445	1.875	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676304879	1075502704	/nfs/dbraw/zinc/50/27/04/1075502704.db2.gz	NDSPJKCHPFMWLZ-KDOFPFPSSA-N	1	1	407.490	1.840	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676304879	1075502707	/nfs/dbraw/zinc/50/27/07/1075502707.db2.gz	NDSPJKCHPFMWLZ-KDOFPFPSSA-N	1	1	407.490	1.840	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676307135	1075503846	/nfs/dbraw/zinc/50/38/46/1075503846.db2.gz	XXNWRLWCIZWLDR-VBQJREDUSA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307135	1075503848	/nfs/dbraw/zinc/50/38/48/1075503848.db2.gz	XXNWRLWCIZWLDR-VBQJREDUSA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676307113	1075503856	/nfs/dbraw/zinc/50/38/56/1075503856.db2.gz	NQCVDJSAPKLTDA-YSVLISHTSA-N	1	1	419.444	1.755	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676307113	1075503858	/nfs/dbraw/zinc/50/38/58/1075503858.db2.gz	NQCVDJSAPKLTDA-YSVLISHTSA-N	1	1	419.444	1.755	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)CC2	ZINC000676306502	1075504275	/nfs/dbraw/zinc/50/42/75/1075504275.db2.gz	VDWJZULVNHOPIG-KDOFPFPSSA-N	1	1	407.511	1.542	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)CC2	ZINC000676306502	1075504280	/nfs/dbraw/zinc/50/42/80/1075504280.db2.gz	VDWJZULVNHOPIG-KDOFPFPSSA-N	1	1	407.511	1.542	20	0		HDADMO
COc1ccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c(OC)c1	ZINC000676308168	1075504815	/nfs/dbraw/zinc/50/48/15/1075504815.db2.gz	BRARFLKCRGUKCI-UHFFFAOYSA-N	1	1	413.478	1.293	20	0		HDADMO
O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000676316921	1075506150	/nfs/dbraw/zinc/50/61/50/1075506150.db2.gz	JFCQOUFWNWZEPS-HXUWFJFHSA-N	1	1	400.523	1.270	20	0		HDADMO
C[C@H]1CCCN(C(=O)C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1	ZINC001035755623	1075506747	/nfs/dbraw/zinc/50/67/47/1075506747.db2.gz	QTRFPQUNGVZJFC-SIFVSHMBSA-N	1	1	401.551	1.593	20	0		HDADMO
CC[NH+](CC)CCOC1CCN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1	ZINC000466727954	1075508553	/nfs/dbraw/zinc/50/85/53/1075508553.db2.gz	KYERQZTVBAVFLG-UHFFFAOYSA-N	1	1	424.630	1.915	20	0		HDADMO
O[C@@H](CNc1nc(N2CCOCC2)cc[nH+]1)COc1ccccc1Br	ZINC000676312324	1075509508	/nfs/dbraw/zinc/50/95/08/1075509508.db2.gz	JNOQZMVDXDPQDQ-ZDUSSCGKSA-N	1	1	409.284	1.928	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676334512	1075510395	/nfs/dbraw/zinc/51/03/95/1075510395.db2.gz	XVXXBHZVQQFASK-RCBQFDQVSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676334512	1075510399	/nfs/dbraw/zinc/51/03/99/1075510399.db2.gz	XVXXBHZVQQFASK-RCBQFDQVSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1cccc(N2CCOC2=O)c1	ZINC000731759528	1075513932	/nfs/dbraw/zinc/51/39/32/1075513932.db2.gz	OXVDZMCGGBHNCK-OAHLLOKOSA-N	1	1	417.510	1.556	20	0		HDADMO
CC(=O)N1c2ccc(S(=O)(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2C[C@H]1C	ZINC000429427763	1075515106	/nfs/dbraw/zinc/51/51/06/1075515106.db2.gz	SIIUKRUXJSQJCJ-WBVHZDCISA-N	1	1	407.536	1.327	20	0		HDADMO
O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000676342620	1075515916	/nfs/dbraw/zinc/51/59/16/1075515916.db2.gz	RIDDVECCEQFJGC-IRXDYDNUSA-N	1	1	420.897	1.478	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+](C)C	ZINC000448533918	1075516837	/nfs/dbraw/zinc/51/68/37/1075516837.db2.gz	AOEBQCBJVXJNDC-ZDUSSCGKSA-N	1	1	413.400	1.812	20	0		HDADMO
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676346615	1075519813	/nfs/dbraw/zinc/51/98/13/1075519813.db2.gz	BWSOXXJNTCUTBK-LTIDMASMSA-N	1	1	412.575	1.048	20	0		HDADMO
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676346615	1075519820	/nfs/dbraw/zinc/51/98/20/1075519820.db2.gz	BWSOXXJNTCUTBK-LTIDMASMSA-N	1	1	412.575	1.048	20	0		HDADMO
C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676333665	1075523527	/nfs/dbraw/zinc/52/35/27/1075523527.db2.gz	NCUKCPUYBFGDDU-VBNZEHGJSA-N	1	1	408.886	1.380	20	0		HDADMO
C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676333665	1075523532	/nfs/dbraw/zinc/52/35/32/1075523532.db2.gz	NCUKCPUYBFGDDU-VBNZEHGJSA-N	1	1	408.886	1.380	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC1	ZINC000731834293	1075526029	/nfs/dbraw/zinc/52/60/29/1075526029.db2.gz	OKLXGDMROUMNMV-UHFFFAOYSA-N	1	1	403.508	1.297	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000546828524	1075529598	/nfs/dbraw/zinc/52/95/98/1075529598.db2.gz	BUMUJZQVYXBDEP-MOPGFXCFSA-N	1	1	409.552	1.287	20	0		HDADMO
CS(=O)(=O)C1(CNc2cc(NCC3(S(C)(=O)=O)CC3)c3ccncc3[nH+]2)CC1	ZINC000562868397	1075533856	/nfs/dbraw/zinc/53/38/56/1075533856.db2.gz	UCDXRFNNYHXWAA-UHFFFAOYSA-N	1	1	424.548	1.608	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000676387128	1075534046	/nfs/dbraw/zinc/53/40/46/1075534046.db2.gz	YZPZJXHACQGQCF-MSOLQXFVSA-N	1	1	412.600	1.137	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1C[N@H+](C)CCO1	ZINC000676401880	1075544285	/nfs/dbraw/zinc/54/42/85/1075544285.db2.gz	GIJYJXGTNUTOCY-QOKNQOGYSA-N	1	1	418.494	1.289	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676401880	1075544288	/nfs/dbraw/zinc/54/42/88/1075544288.db2.gz	GIJYJXGTNUTOCY-QOKNQOGYSA-N	1	1	418.494	1.289	20	0		HDADMO
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1C[N@H+](C)CCO1	ZINC000676401879	1075544346	/nfs/dbraw/zinc/54/43/46/1075544346.db2.gz	GIJYJXGTNUTOCY-ALKREAHSSA-N	1	1	418.494	1.289	20	0		HDADMO
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676401879	1075544348	/nfs/dbraw/zinc/54/43/48/1075544348.db2.gz	GIJYJXGTNUTOCY-ALKREAHSSA-N	1	1	418.494	1.289	20	0		HDADMO
O=C(CC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000731842901	1075548009	/nfs/dbraw/zinc/54/80/09/1075548009.db2.gz	JYXNYMQWCJNYLH-YPMHNXCESA-N	1	1	406.405	1.050	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1	ZINC000731873382	1075549142	/nfs/dbraw/zinc/54/91/42/1075549142.db2.gz	QRYJJIKNISPLBR-CQSZACIVSA-N	1	1	416.975	1.345	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC000731873951	1075549484	/nfs/dbraw/zinc/54/94/84/1075549484.db2.gz	XWTWMMIKMPHGQF-IIBYNOLFSA-N	1	1	402.495	1.453	20	0		HDADMO
O=C(NCCCn1cncn1)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676451737	1075557870	/nfs/dbraw/zinc/55/78/70/1075557870.db2.gz	RAHIUOQEPQHYJR-SFHVURJKSA-N	1	1	422.493	1.067	20	0		HDADMO
CN1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1	ZINC000676451564	1075558212	/nfs/dbraw/zinc/55/82/12/1075558212.db2.gz	FTBJNDBWOIORIM-RTBURBONSA-N	1	1	410.522	1.479	20	0		HDADMO
CN1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000676451564	1075558217	/nfs/dbraw/zinc/55/82/17/1075558217.db2.gz	FTBJNDBWOIORIM-RTBURBONSA-N	1	1	410.522	1.479	20	0		HDADMO
CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1	ZINC000731867468	1075558867	/nfs/dbraw/zinc/55/88/67/1075558867.db2.gz	UZJHOCLUANJLIS-KRWDZBQOSA-N	1	1	408.568	1.164	20	0		HDADMO
C[NH+]1CCN(CC(=O)NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)CC1	ZINC000731868974	1075559537	/nfs/dbraw/zinc/55/95/37/1075559537.db2.gz	HBUKXBANXZHJDJ-UHFFFAOYSA-N	1	1	405.543	1.572	20	0		HDADMO
CN(CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)S(=O)(=O)c1cccs1	ZINC000676477910	1075560270	/nfs/dbraw/zinc/56/02/70/1075560270.db2.gz	AAZGSNGJKLZLOB-MRXNPFEDSA-N	1	1	408.549	1.544	20	0		HDADMO
CN(CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)S(=O)(=O)c1cccs1	ZINC000676477910	1075560276	/nfs/dbraw/zinc/56/02/76/1075560276.db2.gz	AAZGSNGJKLZLOB-MRXNPFEDSA-N	1	1	408.549	1.544	20	0		HDADMO
CC[C@@H](O)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676465570	1075561799	/nfs/dbraw/zinc/56/17/99/1075561799.db2.gz	LHRPDFCHPAAFAP-LEWJYISDSA-N	1	1	404.555	1.376	20	0		HDADMO
CCc1ccc([C@@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000804157667	1075562637	/nfs/dbraw/zinc/56/26/37/1075562637.db2.gz	ZDBKRZHWMGBJMB-PMACEKPBSA-N	1	1	403.523	1.112	20	0		HDADMO
CCN1C(=O)CN(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O	ZINC000731903088	1075563717	/nfs/dbraw/zinc/56/37/17/1075563717.db2.gz	WHLYREXGQDFJGJ-LBPRGKRZSA-N	1	1	424.299	1.736	20	0		HDADMO
CCN1C(=O)CN(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O	ZINC000731903088	1075563720	/nfs/dbraw/zinc/56/37/20/1075563720.db2.gz	WHLYREXGQDFJGJ-LBPRGKRZSA-N	1	1	424.299	1.736	20	0		HDADMO
Cc1cc(S(=O)(=O)NCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c(C)s1	ZINC000676479288	1075566109	/nfs/dbraw/zinc/56/61/09/1075566109.db2.gz	TUHZRPFXKMJOGT-QGZVFWFLSA-N	1	1	422.576	1.819	20	0		HDADMO
Cc1cc(S(=O)(=O)NCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c(C)s1	ZINC000676479288	1075566113	/nfs/dbraw/zinc/56/61/13/1075566113.db2.gz	TUHZRPFXKMJOGT-QGZVFWFLSA-N	1	1	422.576	1.819	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000676497464	1075569419	/nfs/dbraw/zinc/56/94/19/1075569419.db2.gz	BCRFQXGDISLHPT-AZUAARDMSA-N	1	1	420.579	1.894	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)O[C@H](C)C2	ZINC000676503275	1075570685	/nfs/dbraw/zinc/57/06/85/1075570685.db2.gz	YJKCKZAJSBTCLT-APWZRJJASA-N	1	1	418.538	1.224	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1nc2ccccc2s1	ZINC000804165622	1075573667	/nfs/dbraw/zinc/57/36/67/1075573667.db2.gz	DRJOPTGINDQIMY-HZPDHXFCSA-N	1	1	415.563	1.712	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC[C@H]3C[N@@H+](C)CC[C@H]31)CCO2	ZINC000676513598	1075574943	/nfs/dbraw/zinc/57/49/43/1075574943.db2.gz	QHNNUPMRIPZZMJ-KFKAGJAMSA-N	1	1	401.507	1.968	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC[C@@H]3C[N@@H+](C)CC[C@H]31)CCO2	ZINC000676513589	1075575021	/nfs/dbraw/zinc/57/50/21/1075575021.db2.gz	QHNNUPMRIPZZMJ-ATZDWAIDSA-N	1	1	401.507	1.968	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)CCO2	ZINC000676531965	1075576972	/nfs/dbraw/zinc/57/69/72/1075576972.db2.gz	UFQKYZYSRWVRRY-YJBOKZPZSA-N	1	1	419.522	1.329	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)CCO2	ZINC000676531965	1075576978	/nfs/dbraw/zinc/57/69/78/1075576978.db2.gz	UFQKYZYSRWVRRY-YJBOKZPZSA-N	1	1	419.522	1.329	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCSCc1ccccc1	ZINC000731963891	1075577647	/nfs/dbraw/zinc/57/76/47/1075577647.db2.gz	TUCSKNYANGWDQR-IBGZPJMESA-N	1	1	405.564	1.749	20	0		HDADMO
Cn1cc[nH+]c1N1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1	ZINC000676533977	1075577944	/nfs/dbraw/zinc/57/79/44/1075577944.db2.gz	QEFBQRIHHRIJMN-UHFFFAOYSA-N	1	1	408.911	1.729	20	0		HDADMO
Cc1onc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1C	ZINC000577205734	1075578424	/nfs/dbraw/zinc/57/84/24/1075578424.db2.gz	XQQHLAAPMPOLCO-MSOLQXFVSA-N	1	1	405.543	2.026	20	0		HDADMO
CCOC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000731973459	1075580662	/nfs/dbraw/zinc/58/06/62/1075580662.db2.gz	VODHXZDICIUKAP-SFHVURJKSA-N	1	1	418.494	1.907	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)CCO2	ZINC000676530220	1075582477	/nfs/dbraw/zinc/58/24/77/1075582477.db2.gz	JAJVMHXKVWZTGA-KFKAGJAMSA-N	1	1	401.507	1.968	20	0		HDADMO
CN(C)C(=O)c1cc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)ccn1	ZINC000731979436	1075582634	/nfs/dbraw/zinc/58/26/34/1075582634.db2.gz	FLNPWEHZMBAOSL-UHFFFAOYSA-N	1	1	411.506	1.478	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000439589842	1075585631	/nfs/dbraw/zinc/58/56/31/1075585631.db2.gz	QTBNVMWPVAVFNS-ZDUSSCGKSA-N	1	1	422.411	1.920	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000446730061	1075585944	/nfs/dbraw/zinc/58/59/44/1075585944.db2.gz	YHZNARVDTXAIAU-MRXNPFEDSA-N	1	1	423.439	2.507	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c[nH+]ccc2-n2cccn2)n(C)c1	ZINC000731990111	1075587144	/nfs/dbraw/zinc/58/71/44/1075587144.db2.gz	GPPXXGZUCDQKJL-UHFFFAOYSA-N	1	1	402.480	1.889	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000676556473	1075588432	/nfs/dbraw/zinc/58/84/32/1075588432.db2.gz	RRXPSJBPWKCVHF-JXFKEZNVSA-N	1	1	408.506	1.740	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000555813889	1075588862	/nfs/dbraw/zinc/58/88/62/1075588862.db2.gz	GAJHPJQMGMZETM-UZLBHIALSA-N	1	1	421.505	2.288	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000555813889	1075588866	/nfs/dbraw/zinc/58/88/66/1075588866.db2.gz	GAJHPJQMGMZETM-UZLBHIALSA-N	1	1	421.505	2.288	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000676546222	1075591478	/nfs/dbraw/zinc/59/14/78/1075591478.db2.gz	VYRQHMAUAXBDCE-UHFFFAOYSA-N	1	1	418.501	1.652	20	0		HDADMO
COc1cc2[nH+]c(NC3CCN(CCS(C)(=O)=O)CC3)nc(N)c2cc1OC	ZINC000732045393	1075594382	/nfs/dbraw/zinc/59/43/82/1075594382.db2.gz	JIDZCPRLIVDMGZ-UHFFFAOYSA-N	1	1	409.512	1.150	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)c1nc2ccccc2s1	ZINC000804173049	1075602639	/nfs/dbraw/zinc/60/26/39/1075602639.db2.gz	YDUHXDCIKWABBB-AWEZNQCLSA-N	1	1	402.520	1.797	20	0		HDADMO
CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCCC[NH+]1CCOCC1	ZINC000732073701	1075605308	/nfs/dbraw/zinc/60/53/08/1075605308.db2.gz	JJXGSYGKUUHRQE-UHFFFAOYSA-N	1	1	412.575	1.500	20	0		HDADMO
CN1C(=S)N=NC1[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000732075796	1075606370	/nfs/dbraw/zinc/60/63/70/1075606370.db2.gz	OBQKGHIDRLHXKZ-SFHVURJKSA-N	1	1	414.579	1.628	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)[NH+]2CCCC2)o1	ZINC000804177046	1075608534	/nfs/dbraw/zinc/60/85/34/1075608534.db2.gz	YZEUIZNGCVXYDO-ZWKOTPCHSA-N	1	1	413.522	1.981	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)[NH+]2CCCC2)o1	ZINC000804176653	1075608545	/nfs/dbraw/zinc/60/85/45/1075608545.db2.gz	RMUFERBUBKCVKH-MRXNPFEDSA-N	1	1	420.510	1.577	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)[NH+]2CCCC2)o1	ZINC000804179213	1075609916	/nfs/dbraw/zinc/60/99/16/1075609916.db2.gz	XTWJOFIFTRILSW-RDJZCZTQSA-N	1	1	407.511	1.747	20	0		HDADMO
C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(-n4[nH]c(=O)nc4C[NH3+])c23)C1	ZINC001168760500	1075610435	/nfs/dbraw/zinc/61/04/35/1075610435.db2.gz	OSISMZVBBJYCHB-NSHDSACASA-N	1	1	415.523	1.393	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C	ZINC000804182669	1075614340	/nfs/dbraw/zinc/61/43/40/1075614340.db2.gz	HTTINHWVTFKXIW-UHFFFAOYSA-N	1	1	418.538	1.356	20	0		HDADMO
CN(C)c1nc(N)nc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1	ZINC000561092338	1075618937	/nfs/dbraw/zinc/61/89/37/1075618937.db2.gz	WAEVAOZYJIJHNC-UHFFFAOYSA-N	1	1	423.443	1.887	20	0		HDADMO
CN(C)c1nc(N)nc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1	ZINC000561092338	1075618941	/nfs/dbraw/zinc/61/89/41/1075618941.db2.gz	WAEVAOZYJIJHNC-UHFFFAOYSA-N	1	1	423.443	1.887	20	0		HDADMO
CN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C	ZINC000804181333	1075620291	/nfs/dbraw/zinc/62/02/91/1075620291.db2.gz	HZXMKUJBWOYWDX-SFHVURJKSA-N	1	1	418.538	1.702	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+](C)C[C@@H](O)C1CC1	ZINC000676632008	1075625312	/nfs/dbraw/zinc/62/53/12/1075625312.db2.gz	BHMRGHRZXGXZEU-LJQANCHMSA-N	1	1	422.551	1.280	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+](C)C[C@@H](O)C1CC1	ZINC000676632008	1075625316	/nfs/dbraw/zinc/62/53/16/1075625316.db2.gz	BHMRGHRZXGXZEU-LJQANCHMSA-N	1	1	422.551	1.280	20	0		HDADMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1=O	ZINC000429456777	1075625378	/nfs/dbraw/zinc/62/53/78/1075625378.db2.gz	XUPNNHMJEKQMDC-XLSIIYIISA-N	1	1	400.523	1.178	20	0		HDADMO
CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000676633405	1075625617	/nfs/dbraw/zinc/62/56/17/1075625617.db2.gz	BODDBDGYARZMGT-STQMWFEESA-N	1	1	411.351	1.994	20	0		HDADMO
C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000732091048	1075625771	/nfs/dbraw/zinc/62/57/71/1075625771.db2.gz	ZBYKECKWFMFVFN-MAUKXSAKSA-N	1	1	400.483	1.667	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000732091048	1075625775	/nfs/dbraw/zinc/62/57/75/1075625775.db2.gz	ZBYKECKWFMFVFN-MAUKXSAKSA-N	1	1	400.483	1.667	20	0		HDADMO
CNc1nc(N(C)Cc2ccc(OC)nc2)nc(N(C)Cc2ccc(OC)nc2)[nH+]1	ZINC000676638395	1075628835	/nfs/dbraw/zinc/62/88/35/1075628835.db2.gz	LHFOKIPJEZFKRM-UHFFFAOYSA-N	1	1	410.482	1.415	20	0		HDADMO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCN1CCN(c2ccccn2)CC1	ZINC000676624610	1075629507	/nfs/dbraw/zinc/62/95/07/1075629507.db2.gz	FNARQMCEARFELR-AQNXPRMDSA-N	1	1	401.555	1.304	20	0		HDADMO
Cn1ccnc1[C@](O)(CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C(F)(F)F	ZINC000732127354	1075631064	/nfs/dbraw/zinc/63/10/64/1075631064.db2.gz	IKAMHQWHYBHGLZ-WMLDXEAASA-N	1	1	404.433	1.273	20	0		HDADMO
CN(C)c1nc(N)nc(COc2cccc(NC(=O)c3c[nH+]ccc3N(C)C)c2)n1	ZINC000544738340	1075635723	/nfs/dbraw/zinc/63/57/23/1075635723.db2.gz	VQMWAHKUZIWYGF-UHFFFAOYSA-N	1	1	408.466	1.812	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000732150155	1075650722	/nfs/dbraw/zinc/65/07/22/1075650722.db2.gz	YVKXZCGAXXALLG-PKOBYXMFSA-N	1	1	415.538	1.325	20	0		HDADMO
O=C([C@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1)N1CCCC1	ZINC000732189519	1075654941	/nfs/dbraw/zinc/65/49/41/1075654941.db2.gz	FAPNPDMEUYAREZ-AWEZNQCLSA-N	1	1	404.492	1.331	20	0		HDADMO
O=C([C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1)N1CCCC1	ZINC000732189519	1075654944	/nfs/dbraw/zinc/65/49/44/1075654944.db2.gz	FAPNPDMEUYAREZ-AWEZNQCLSA-N	1	1	404.492	1.331	20	0		HDADMO
COCCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1	ZINC000676719499	1075654984	/nfs/dbraw/zinc/65/49/84/1075654984.db2.gz	GPFJNVAUXNEXSC-FQEVSTJZSA-N	1	1	416.566	1.194	20	0		HDADMO
O=C([C@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)C1)N1CCCC1	ZINC000732192163	1075656196	/nfs/dbraw/zinc/65/61/96/1075656196.db2.gz	WHAFTYXQWQBXMK-SFHVURJKSA-N	1	1	416.522	1.960	20	0		HDADMO
O=C([C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)C1)N1CCCC1	ZINC000732192163	1075656198	/nfs/dbraw/zinc/65/61/98/1075656198.db2.gz	WHAFTYXQWQBXMK-SFHVURJKSA-N	1	1	416.522	1.960	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1	ZINC000549171553	1075657482	/nfs/dbraw/zinc/65/74/82/1075657482.db2.gz	GMBANKSEOXXXLH-QGZVFWFLSA-N	1	1	402.543	1.344	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1	ZINC000549171553	1075657487	/nfs/dbraw/zinc/65/74/87/1075657487.db2.gz	GMBANKSEOXXXLH-QGZVFWFLSA-N	1	1	402.543	1.344	20	0		HDADMO
Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676723292	1075660019	/nfs/dbraw/zinc/66/00/19/1075660019.db2.gz	COOFNIICZFFEAP-MOPGFXCFSA-N	1	1	424.549	1.896	20	0		HDADMO
C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676729501	1075662679	/nfs/dbraw/zinc/66/26/79/1075662679.db2.gz	HYOVSYNCBDDFNE-WMZOPIPTSA-N	1	1	400.523	1.140	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(c2ccccc2F)CC1	ZINC000732209850	1075666321	/nfs/dbraw/zinc/66/63/21/1075666321.db2.gz	AVMXOVJTQCOXNE-SFHVURJKSA-N	1	1	402.514	1.951	20	0		HDADMO
Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)cc12	ZINC000676721903	1075667974	/nfs/dbraw/zinc/66/79/74/1075667974.db2.gz	PDHTUGFYXMUCLY-UHFFFAOYSA-N	1	1	416.507	1.369	20	0		HDADMO
CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1	ZINC000676747583	1075669777	/nfs/dbraw/zinc/66/97/77/1075669777.db2.gz	HVEWWZCSSMCOEW-YJBOKZPZSA-N	1	1	422.551	1.007	20	0		HDADMO
CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732214747	1075669873	/nfs/dbraw/zinc/66/98/73/1075669873.db2.gz	VKJGAGJTZXBOMR-XMSQKQJNSA-N	1	1	413.522	1.129	20	0		HDADMO
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000732214596	1075669880	/nfs/dbraw/zinc/66/98/80/1075669880.db2.gz	KTZBVNQWDZCIJG-ZBFHGGJFSA-N	1	1	404.492	1.810	20	0		HDADMO
Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1	ZINC000732202333	1075675051	/nfs/dbraw/zinc/67/50/51/1075675051.db2.gz	ZJHHUMFBZFUJAG-QFIPXVFZSA-N	1	1	424.593	1.702	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1	ZINC000732254087	1075680560	/nfs/dbraw/zinc/68/05/60/1075680560.db2.gz	SINCTXXKOZVIPP-WMLDXEAASA-N	1	1	411.344	1.778	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000732275309	1075686887	/nfs/dbraw/zinc/68/68/87/1075686887.db2.gz	IRONKXTUVWJVBR-QZTJIDSGSA-N	1	1	422.570	1.789	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)CNC(=O)N1CCc2ccccc2C1	ZINC000732276364	1075687246	/nfs/dbraw/zinc/68/72/46/1075687246.db2.gz	HZXSJZJRENWAIM-UHFFFAOYSA-N	1	1	404.474	1.960	20	0		HDADMO
CO[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C	ZINC000509435641	1075687805	/nfs/dbraw/zinc/68/78/05/1075687805.db2.gz	DBFPAWNSFCVPPB-YTQUADARSA-N	1	1	402.539	1.243	20	0		HDADMO
Cc1nc(CN2CCC(CNC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)oc1C	ZINC000732257544	1075688742	/nfs/dbraw/zinc/68/87/42/1075688742.db2.gz	SATGTFFFDUYXNG-RTBURBONSA-N	1	1	405.543	1.666	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)NCc3ccc(-n4cncn4)nc3)CC2)oc1C	ZINC000732257420	1075688983	/nfs/dbraw/zinc/68/89/83/1075688983.db2.gz	NSRLANJAIBBDQH-UHFFFAOYSA-N	1	1	424.509	1.979	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1	ZINC000029053243	1075691292	/nfs/dbraw/zinc/69/12/92/1075691292.db2.gz	PDGTVXZWYYPTKB-UHFFFAOYSA-N	1	1	413.522	1.084	20	0		HDADMO
COc1cccc2c1OCC(C(=O)NCCC[NH+]1CCN(c3ncccn3)CC1)=C2	ZINC000509434863	1075692321	/nfs/dbraw/zinc/69/23/21/1075692321.db2.gz	AJVYKTXALPSBKF-UHFFFAOYSA-N	1	1	409.490	1.590	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@H]3C[C@@H]3C)C1)CC2	ZINC000429464645	1075692608	/nfs/dbraw/zinc/69/26/08/1075692608.db2.gz	BBLGPCBDFHFCDC-QGTPRVQTSA-N	1	1	416.522	1.370	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@H]3C[C@@H]3C)C1)CC2	ZINC000429464645	1075692613	/nfs/dbraw/zinc/69/26/13/1075692613.db2.gz	BBLGPCBDFHFCDC-QGTPRVQTSA-N	1	1	416.522	1.370	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1=O	ZINC000732307133	1075694634	/nfs/dbraw/zinc/69/46/34/1075694634.db2.gz	DGJPCFYHPLWLFT-YESZJQIVSA-N	1	1	408.543	1.445	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCS[C@@H](C)[C@H]1C	ZINC000509438136	1075695363	/nfs/dbraw/zinc/69/53/63/1075695363.db2.gz	LLUOZBGNUDJSQW-KURKYZTESA-N	1	1	404.580	1.666	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCS1	ZINC000509438160	1075695377	/nfs/dbraw/zinc/69/53/77/1075695377.db2.gz	LUHYRESHHOXHTD-QUCCMNQESA-N	1	1	418.607	1.913	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC[N@@H+]1CCO	ZINC000429256973	1075698949	/nfs/dbraw/zinc/69/89/49/1075698949.db2.gz	MTDAPNXPWHOQPO-QGZVFWFLSA-N	1	1	424.567	1.782	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC[N@H+]1CCO	ZINC000429256973	1075698951	/nfs/dbraw/zinc/69/89/51/1075698951.db2.gz	MTDAPNXPWHOQPO-QGZVFWFLSA-N	1	1	424.567	1.782	20	0		HDADMO
Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21	ZINC001084993033	1075699287	/nfs/dbraw/zinc/69/92/87/1075699287.db2.gz	HWHBVWBKIWSACZ-IZGRHMBUSA-N	1	1	403.548	1.564	20	0		HDADMO
C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NCc3nncn3C3CC3)c2)C[C@@H](C)O1	ZINC000429468087	1075699616	/nfs/dbraw/zinc/69/96/16/1075699616.db2.gz	JYNATBGYTSFQHU-HUUCEWRRSA-N	1	1	412.494	1.477	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000547321310	1075704664	/nfs/dbraw/zinc/70/46/64/1075704664.db2.gz	SAPUVNRHDSEIAV-YLJYHZDGSA-N	1	1	418.501	1.902	20	0		HDADMO
COc1cc2[nH+]c(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)nc(N)c2cc1OC	ZINC000561338690	1075705824	/nfs/dbraw/zinc/70/58/24/1075705824.db2.gz	QKVBERXKALPDJE-GFCCVEGCSA-N	1	1	409.512	1.337	20	0		HDADMO
C[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCN1c1ccccc1	ZINC000476670045	1075706562	/nfs/dbraw/zinc/70/65/62/1075706562.db2.gz	AFIRJNPXBVBPAP-LZQZEXGQSA-N	1	1	410.522	1.712	20	0		HDADMO
C[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCN1c1ccccc1	ZINC000476670045	1075706569	/nfs/dbraw/zinc/70/65/69/1075706569.db2.gz	AFIRJNPXBVBPAP-LZQZEXGQSA-N	1	1	410.522	1.712	20	0		HDADMO
C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000554847830	1075709136	/nfs/dbraw/zinc/70/91/36/1075709136.db2.gz	FZZUENPOLFSPQD-ZACQAIPSSA-N	1	1	411.506	1.925	20	0		HDADMO
C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000554847830	1075709140	/nfs/dbraw/zinc/70/91/40/1075709140.db2.gz	FZZUENPOLFSPQD-ZACQAIPSSA-N	1	1	411.506	1.925	20	0		HDADMO
COc1cc(C)ccc1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509436547	1075710549	/nfs/dbraw/zinc/71/05/49/1075710549.db2.gz	GGRNVBHWJPXCCN-IBGZPJMESA-N	1	1	424.545	1.947	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1	ZINC000553512249	1075719048	/nfs/dbraw/zinc/71/90/48/1075719048.db2.gz	AMMMOFUYTRXKBJ-INIZCTEOSA-N	1	1	417.558	1.407	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C[N@H+]1C1CC1	ZINC000486216731	1075722347	/nfs/dbraw/zinc/72/23/47/1075722347.db2.gz	BZTGPDKSILGTJG-HOTGVXAUSA-N	1	1	409.538	1.664	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@H+]1Cc1ccccc1	ZINC000475858281	1075722987	/nfs/dbraw/zinc/72/29/87/1075722987.db2.gz	UVWHRCFVBUHDMI-SJLPKXTDSA-N	1	1	413.526	1.883	20	0		HDADMO
CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509255909	1075727666	/nfs/dbraw/zinc/72/76/66/1075727666.db2.gz	GZCNWFWINUAPPS-AWEZNQCLSA-N	1	1	400.570	1.494	20	0		HDADMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@H]2C1	ZINC000509258847	1075728959	/nfs/dbraw/zinc/72/89/59/1075728959.db2.gz	POHXPVIOYXIMJD-OAGGEKHMSA-N	1	1	412.581	1.494	20	0		HDADMO
C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000429474503	1075736112	/nfs/dbraw/zinc/73/61/12/1075736112.db2.gz	UFNBRAVTVUHQTG-GOSISDBHSA-N	1	1	401.555	1.016	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C1Cc2ccccc2C1	ZINC000509442659	1075736452	/nfs/dbraw/zinc/73/64/52/1075736452.db2.gz	RZFCGHXJQSMUDE-LJQANCHMSA-N	1	1	420.557	1.939	20	0		HDADMO
CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509443109	1075738527	/nfs/dbraw/zinc/73/85/27/1075738527.db2.gz	XHQUGIUCSYNWLJ-SBHAEUEKSA-N	1	1	416.566	1.633	20	0		HDADMO
C[NH+](C)CCn1ccc(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1	ZINC000467388177	1075738641	/nfs/dbraw/zinc/73/86/41/1075738641.db2.gz	JPWVBMKEOZZCOM-HNNXBMFYSA-N	1	1	422.415	2.493	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1	ZINC000732430770	1075743510	/nfs/dbraw/zinc/74/35/10/1075743510.db2.gz	MAQAGDXMZRPYHS-UHFFFAOYSA-N	1	1	412.556	1.259	20	0		HDADMO
O=C(NCCCN1CCOC1=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000732431706	1075743614	/nfs/dbraw/zinc/74/36/14/1075743614.db2.gz	CMGSQUACEUYNGM-UHFFFAOYSA-N	1	1	415.494	1.937	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cc2)CC1	ZINC000732445015	1075746512	/nfs/dbraw/zinc/74/65/12/1075746512.db2.gz	WLJZBFWEUYDJIM-FQEVSTJZSA-N	1	1	402.539	1.871	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1	ZINC000732445682	1075747185	/nfs/dbraw/zinc/74/71/85/1075747185.db2.gz	AZVPOFXVQZUUHF-OAHLLOKOSA-N	1	1	403.310	1.490	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)CN1CCOCC1	ZINC000732467838	1075755432	/nfs/dbraw/zinc/75/54/32/1075755432.db2.gz	YUURVYZRHDDLRP-NJDAHSKKSA-N	1	1	402.539	1.092	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000497967051	1075755629	/nfs/dbraw/zinc/75/56/29/1075755629.db2.gz	ZATOOUGWPJXUEE-RDTXWAMCSA-N	1	1	407.522	1.893	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(C)cc2)cn1	ZINC000732479593	1075758655	/nfs/dbraw/zinc/75/86/55/1075758655.db2.gz	ANZVLWBHYQBLAQ-UHFFFAOYSA-N	1	1	406.446	1.369	20	0		HDADMO
O=C(Cn1c[nH+]c2c1CCCC2)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000543690613	1075760386	/nfs/dbraw/zinc/76/03/86/1075760386.db2.gz	AAKSSBNLOZQOKF-HNNXBMFYSA-N	1	1	408.458	1.286	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cn1	ZINC000732485049	1075762426	/nfs/dbraw/zinc/76/24/26/1075762426.db2.gz	UPFPBXZDROJEPG-ZDUSSCGKSA-N	1	1	416.482	1.886	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000487027261	1075763006	/nfs/dbraw/zinc/76/30/06/1075763006.db2.gz	LXDRHUGOEOZYON-LJQANCHMSA-N	1	1	421.549	1.937	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cc(C(C)(C)C)on1	ZINC000442496576	1075766975	/nfs/dbraw/zinc/76/69/75/1075766975.db2.gz	CJIGOXUASKBQFY-JOCHJYFZSA-N	1	1	414.506	2.006	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000494425157	1075768400	/nfs/dbraw/zinc/76/84/00/1075768400.db2.gz	KEQCOUTYRQYAEM-MRXNPFEDSA-N	1	1	401.540	1.617	20	0		HDADMO
CC(C)(C)c1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)no1	ZINC000441150790	1075770501	/nfs/dbraw/zinc/77/05/01/1075770501.db2.gz	GRYLNZYSUCEPEC-IAGOWNOFSA-N	1	1	414.506	1.910	20	0		HDADMO
CC(C)(C)c1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)no1	ZINC000441150790	1075770503	/nfs/dbraw/zinc/77/05/03/1075770503.db2.gz	GRYLNZYSUCEPEC-IAGOWNOFSA-N	1	1	414.506	1.910	20	0		HDADMO
C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)C[C@H](C)O1	ZINC000466644405	1075770946	/nfs/dbraw/zinc/77/09/46/1075770946.db2.gz	VGJOHPWOXHKEFM-OKILXGFUSA-N	1	1	416.469	1.752	20	0		HDADMO
C[C@@H]1C[N@H+](CCOC2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)C[C@H](C)O1	ZINC000466644405	1075770953	/nfs/dbraw/zinc/77/09/53/1075770953.db2.gz	VGJOHPWOXHKEFM-OKILXGFUSA-N	1	1	416.469	1.752	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC[N@@H+]1CCO	ZINC000429277698	1075778944	/nfs/dbraw/zinc/77/89/44/1075778944.db2.gz	PCCUGHIWIHRILP-AWEZNQCLSA-N	1	1	405.524	1.663	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC[N@H+]1CCO	ZINC000429277698	1075778949	/nfs/dbraw/zinc/77/89/49/1075778949.db2.gz	PCCUGHIWIHRILP-AWEZNQCLSA-N	1	1	405.524	1.663	20	0		HDADMO
CNS(=O)(=O)c1ccc(NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nc1	ZINC000732567557	1075790290	/nfs/dbraw/zinc/79/02/90/1075790290.db2.gz	CMKBFDOBOJPHTL-UHFFFAOYSA-N	1	1	413.544	1.344	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1	ZINC000446788238	1075795964	/nfs/dbraw/zinc/79/59/64/1075795964.db2.gz	VYRNHIJZBPJOJN-GJZGRUSLSA-N	1	1	415.460	2.497	20	0		HDADMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000550838190	1075808299	/nfs/dbraw/zinc/80/82/99/1075808299.db2.gz	CRJPOWHLGILBCK-SWLSCSKDSA-N	1	1	413.444	1.618	20	0		HDADMO
C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3cc(C4(C)CCCC4)on3)CC2)CCO1	ZINC000434943386	1075808463	/nfs/dbraw/zinc/80/84/63/1075808463.db2.gz	PHXGVBJUGIWMOG-HNNXBMFYSA-N	1	1	404.511	2.157	20	0		HDADMO
C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429400912	1075809316	/nfs/dbraw/zinc/80/93/16/1075809316.db2.gz	ALYUHBMCLHZAID-HNNXBMFYSA-N	1	1	422.489	2.115	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429400912	1075809322	/nfs/dbraw/zinc/80/93/22/1075809322.db2.gz	ALYUHBMCLHZAID-HNNXBMFYSA-N	1	1	422.489	2.115	20	0		HDADMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)c2)CCO1	ZINC000520667866	1075809346	/nfs/dbraw/zinc/80/93/46/1075809346.db2.gz	RCIVZIGWEVKRGV-HNNXBMFYSA-N	1	1	411.506	1.773	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)c2)CCO1	ZINC000520667866	1075809352	/nfs/dbraw/zinc/80/93/52/1075809352.db2.gz	RCIVZIGWEVKRGV-HNNXBMFYSA-N	1	1	411.506	1.773	20	0		HDADMO
O=C(CN1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)CC1)N1CCCC1	ZINC000509278269	1075811352	/nfs/dbraw/zinc/81/13/52/1075811352.db2.gz	YCQRLVQOEYCHCW-UHFFFAOYSA-N	1	1	413.610	1.829	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C[N@H+]1Cc1ccccc1	ZINC000466685241	1075812180	/nfs/dbraw/zinc/81/21/80/1075812180.db2.gz	ZRAUNMFRIMKJSN-DZGCQCFKSA-N	1	1	401.536	2.553	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000550834573	1075814727	/nfs/dbraw/zinc/81/47/27/1075814727.db2.gz	BRLUHUKJGBJEFM-GXTWGEPZSA-N	1	1	401.433	1.618	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611037221	1075818277	/nfs/dbraw/zinc/81/82/77/1075818277.db2.gz	GTJUVFKLHOYKGQ-HNNXBMFYSA-N	1	1	411.524	1.718	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611037167	1075818293	/nfs/dbraw/zinc/81/82/93/1075818293.db2.gz	DOVVWXNOOLPAOT-CABCVRRESA-N	1	1	411.524	1.716	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1	ZINC000732703799	1075838037	/nfs/dbraw/zinc/83/80/37/1075838037.db2.gz	LAQMNAFFMKXLOD-AQNXPRMDSA-N	1	1	422.957	1.564	20	0		HDADMO
C[NH+]1CCC(N(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccccc2)CC1	ZINC000732733194	1075844727	/nfs/dbraw/zinc/84/47/27/1075844727.db2.gz	ZSNFENJDILQTSC-UHFFFAOYSA-N	1	1	400.504	1.611	20	0		HDADMO
CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cs1	ZINC000732764946	1075848522	/nfs/dbraw/zinc/84/85/22/1075848522.db2.gz	VLKUSCZSHBSFME-CABCVRRESA-N	1	1	410.540	1.839	20	0		HDADMO
CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCSCC2)ccc1F	ZINC000732777209	1075854667	/nfs/dbraw/zinc/85/46/67/1075854667.db2.gz	JEFMZTXIQBQCCQ-UHFFFAOYSA-N	1	1	403.545	1.681	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)CC1	ZINC000732779214	1075863419	/nfs/dbraw/zinc/86/34/19/1075863419.db2.gz	ASBDQNGVJFANGI-GNJLHFKMSA-N	1	1	406.552	1.356	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)CC1	ZINC000732779214	1075863424	/nfs/dbraw/zinc/86/34/24/1075863424.db2.gz	ASBDQNGVJFANGI-GNJLHFKMSA-N	1	1	406.552	1.356	20	0		HDADMO
COC(=O)c1nc2nc(C)cc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2n1	ZINC000611166142	1075865294	/nfs/dbraw/zinc/86/52/94/1075865294.db2.gz	POUILXGOTUZVHD-UHFFFAOYSA-N	1	1	401.515	1.214	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1	ZINC000732782741	1075867716	/nfs/dbraw/zinc/86/77/16/1075867716.db2.gz	ZCHVNARPDXZLHD-ZWKOTPCHSA-N	1	1	418.969	1.973	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1	ZINC000732782741	1075867720	/nfs/dbraw/zinc/86/77/20/1075867720.db2.gz	ZCHVNARPDXZLHD-ZWKOTPCHSA-N	1	1	418.969	1.973	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@@H+]1C	ZINC000550838175	1075869530	/nfs/dbraw/zinc/86/95/30/1075869530.db2.gz	CBIBKNWQIFGNHR-HNNXBMFYSA-N	1	1	415.460	1.817	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000550838175	1075869535	/nfs/dbraw/zinc/86/95/35/1075869535.db2.gz	CBIBKNWQIFGNHR-HNNXBMFYSA-N	1	1	415.460	1.817	20	0		HDADMO
COC(=O)c1cccc(NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1	ZINC000611176393	1075869602	/nfs/dbraw/zinc/86/96/02/1075869602.db2.gz	IHHGFOBVDKURRK-UHFFFAOYSA-N	1	1	416.522	1.429	20	0		HDADMO
COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810350	1075871288	/nfs/dbraw/zinc/87/12/88/1075871288.db2.gz	LOETWIVCKPOATA-QWHCGFSZSA-N	1	1	406.401	1.539	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732809783	1075872069	/nfs/dbraw/zinc/87/20/69/1075872069.db2.gz	OOBSAGCGRAYHFY-QZTJIDSGSA-N	1	1	416.522	1.429	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732809783	1075872072	/nfs/dbraw/zinc/87/20/72/1075872072.db2.gz	OOBSAGCGRAYHFY-QZTJIDSGSA-N	1	1	416.522	1.429	20	0		HDADMO
CCOC(=O)COc1ccc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1	ZINC000611211212	1075874630	/nfs/dbraw/zinc/87/46/30/1075874630.db2.gz	UDRWKOYTMMDVGQ-UGKGYDQZSA-N	1	1	419.566	1.965	20	0		HDADMO
COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000611198581	1075876280	/nfs/dbraw/zinc/87/62/80/1075876280.db2.gz	UNNJEROHFPDUGU-DLBZAZTESA-N	1	1	409.552	1.428	20	0		HDADMO
COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1	ZINC000611198584	1075876338	/nfs/dbraw/zinc/87/63/38/1075876338.db2.gz	UNNJEROHFPDUGU-SJORKVTESA-N	1	1	409.552	1.428	20	0		HDADMO
CN(C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732834146	1075882241	/nfs/dbraw/zinc/88/22/41/1075882241.db2.gz	NHPHMAVCUWLEGW-SJORKVTESA-N	1	1	413.440	1.806	20	0		HDADMO
COC(=O)[C@@]1(NCC(=O)NC(=O)NC(C)(C)C)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265832	1075889310	/nfs/dbraw/zinc/88/93/10/1075889310.db2.gz	JQADTBDHQQNHIT-OAQYLSRUSA-N	1	1	404.511	1.408	20	0		HDADMO
COC(=O)[C@@]1(NCC(=O)NC(=O)NC(C)(C)C)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265832	1075889319	/nfs/dbraw/zinc/88/93/19/1075889319.db2.gz	JQADTBDHQQNHIT-OAQYLSRUSA-N	1	1	404.511	1.408	20	0		HDADMO
CC(C)(C)OC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1	ZINC000611293300	1075894540	/nfs/dbraw/zinc/89/45/40/1075894540.db2.gz	VVPKMIXTCTYOTQ-IBGZPJMESA-N	1	1	403.523	1.778	20	0		HDADMO
C[N@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(I)cc3c2O)C1	ZINC000611305141	1075895459	/nfs/dbraw/zinc/89/54/59/1075895459.db2.gz	GHIQUKYDYZWUFZ-LLVKDONJSA-N	1	1	411.243	1.957	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CC1=O	ZINC000611307943	1075896830	/nfs/dbraw/zinc/89/68/30/1075896830.db2.gz	BPWXWOBEQLWYAH-FGTMMUONSA-N	1	1	407.555	1.757	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611322319	1075900451	/nfs/dbraw/zinc/90/04/51/1075900451.db2.gz	PPUJFEPFHQILGG-SJORKVTESA-N	1	1	403.527	1.425	20	0		HDADMO
C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000611348767	1075912892	/nfs/dbraw/zinc/91/28/92/1075912892.db2.gz	HTOBQCJLVXWINQ-WFXCYSEUSA-N	1	1	404.555	1.576	20	0		HDADMO
COC(=O)c1cc2cc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)ccc2o1	ZINC000611365630	1075913577	/nfs/dbraw/zinc/91/35/77/1075913577.db2.gz	IDOIPCKJIMSSMV-JKSUJKDBSA-N	1	1	415.446	1.216	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br	ZINC000611380241	1075921450	/nfs/dbraw/zinc/92/14/50/1075921450.db2.gz	OWNDTTCAAPKTHO-OLZOCXBDSA-N	1	1	424.295	1.917	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)[C@H](C)C1	ZINC000611401534	1075925706	/nfs/dbraw/zinc/92/57/06/1075925706.db2.gz	WGQCMYUBONBYBE-BEFAXECRSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)[C@H](C)C1	ZINC000611401534	1075925710	/nfs/dbraw/zinc/92/57/10/1075925710.db2.gz	WGQCMYUBONBYBE-BEFAXECRSA-N	1	1	407.486	1.676	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC1	ZINC000611416456	1075927955	/nfs/dbraw/zinc/92/79/55/1075927955.db2.gz	LJXVPXBAUBEGQU-UHFFFAOYSA-N	1	1	404.511	1.652	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000732960307	1075932383	/nfs/dbraw/zinc/93/23/83/1075932383.db2.gz	FPCPUIJHNPQSKA-BBWFWOEESA-N	1	1	424.567	1.232	20	0		HDADMO
COC(=O)CC(C)(C)CC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000611441447	1075934482	/nfs/dbraw/zinc/93/44/82/1075934482.db2.gz	MPOAUOLILJFQOH-SFHVURJKSA-N	1	1	403.523	1.980	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C	ZINC000611456082	1075938632	/nfs/dbraw/zinc/93/86/32/1075938632.db2.gz	JZFOUXGBGXAZBG-RYUDHWBXSA-N	1	1	411.524	1.786	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1	ZINC000732989120	1075940967	/nfs/dbraw/zinc/94/09/67/1075940967.db2.gz	OIDNTYLKECKTIR-DLBZAZTESA-N	1	1	410.559	1.550	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000732989958	1075941318	/nfs/dbraw/zinc/94/13/18/1075941318.db2.gz	YHIBPWVKTFCOIV-QAEAHILHSA-N	1	1	411.568	1.841	20	0		HDADMO
O=C(NCC[NH+]1Cc2ccccc2C1)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000732994762	1075942559	/nfs/dbraw/zinc/94/25/59/1075942559.db2.gz	HQWIAVWOCVLOKF-UHFFFAOYSA-N	1	1	416.494	1.566	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000733029368	1075946658	/nfs/dbraw/zinc/94/66/58/1075946658.db2.gz	DRDYJHXCYCKOMI-QGZVFWFLSA-N	1	1	418.494	1.807	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1	ZINC000733029368	1075946661	/nfs/dbraw/zinc/94/66/61/1075946661.db2.gz	DRDYJHXCYCKOMI-QGZVFWFLSA-N	1	1	418.494	1.807	20	0		HDADMO
CCOC(=O)c1c2c(sc1NC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1)CCC2	ZINC000611522468	1075951834	/nfs/dbraw/zinc/95/18/34/1075951834.db2.gz	BCEGLEAICWFMOS-UHFFFAOYSA-N	1	1	422.551	1.058	20	0		HDADMO
CCOC(=O)c1c2c(sc1NC(=O)C(=O)N1CC[C@H]3CC[N@@H+](C)C[C@H]31)CCC2	ZINC000611521811	1075951868	/nfs/dbraw/zinc/95/18/68/1075951868.db2.gz	UQDQUIFLDCPVOB-TZMCWYRMSA-N	1	1	405.520	1.905	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1	ZINC000611531502	1075958532	/nfs/dbraw/zinc/95/85/32/1075958532.db2.gz	AKOZLGYODUEXDY-OAHLLOKOSA-N	1	1	408.495	1.979	20	0		HDADMO
COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)c1ccc(C)cc1	ZINC000611546103	1075960205	/nfs/dbraw/zinc/96/02/05/1075960205.db2.gz	XNLWONCHAUDSQU-KRWDZBQOSA-N	1	1	407.430	1.587	20	0		HDADMO
Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)ccc1N1C(=O)CCC1=O	ZINC000733035141	1075960270	/nfs/dbraw/zinc/96/02/70/1075960270.db2.gz	XGKAQQHGEKPHCT-UHFFFAOYSA-N	1	1	401.511	1.796	20	0		HDADMO
COC(=O)[C@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)c1ccc(C)cc1	ZINC000611546104	1075960258	/nfs/dbraw/zinc/96/02/58/1075960258.db2.gz	XNLWONCHAUDSQU-QGZVFWFLSA-N	1	1	407.430	1.587	20	0		HDADMO
CC(C)OC(=O)N1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1	ZINC000733040437	1075962515	/nfs/dbraw/zinc/96/25/15/1075962515.db2.gz	NMQKOMHJNCUQIQ-QGZVFWFLSA-N	1	1	411.547	1.238	20	0		HDADMO
Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cccc(F)c1	ZINC001079192578	1075966935	/nfs/dbraw/zinc/96/69/35/1075966935.db2.gz	PBUJKUNWRUHGFE-BHQCHZOVSA-N	1	1	411.481	1.462	20	0		HDADMO
Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccccc1F	ZINC001079304189	1075969104	/nfs/dbraw/zinc/96/91/04/1075969104.db2.gz	XHSWHNDRBBBSNC-FHVBJURUSA-N	1	1	411.481	1.462	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000018217197	1075972600	/nfs/dbraw/zinc/97/26/00/1075972600.db2.gz	KVLKBOFEYWEVOJ-UHFFFAOYSA-N	1	1	417.531	1.504	20	0		HDADMO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O	ZINC000733126391	1075978837	/nfs/dbraw/zinc/97/88/37/1075978837.db2.gz	YAYKDSSOYNZHAQ-RXVVDRJESA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O	ZINC000733126391	1075978840	/nfs/dbraw/zinc/97/88/40/1075978840.db2.gz	YAYKDSSOYNZHAQ-RXVVDRJESA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)CC1=O	ZINC000733128543	1075979284	/nfs/dbraw/zinc/97/92/84/1075979284.db2.gz	VMACKEXAJPQBGW-RBUKOAKNSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)CC1=O	ZINC000733128543	1075979285	/nfs/dbraw/zinc/97/92/85/1075979285.db2.gz	VMACKEXAJPQBGW-RBUKOAKNSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)NC)CC1=O	ZINC000733130950	1075979849	/nfs/dbraw/zinc/97/98/49/1075979849.db2.gz	VHGMLGLGMYGSMW-DZGCQCFKSA-N	1	1	406.914	1.971	20	0		HDADMO
CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)N1CC[NH+](C)CC1	ZINC000733157345	1075990221	/nfs/dbraw/zinc/99/02/21/1075990221.db2.gz	SPJWXNQIOXNQRY-CABCVRRESA-N	1	1	408.465	1.538	20	0		HDADMO
CC[N@@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001080640492	1075991145	/nfs/dbraw/zinc/99/11/45/1075991145.db2.gz	YWHOZILBMNVOSC-IYWGDAJJSA-N	1	1	403.567	1.983	20	0		HDADMO
O=C(CS(=O)(=O)CCCc1ccccc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000733159678	1075992883	/nfs/dbraw/zinc/99/28/83/1075992883.db2.gz	HQRYKXZVELHUET-FQEVSTJZSA-N	1	1	408.564	1.794	20	0		HDADMO
CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000493889755	1075993282	/nfs/dbraw/zinc/99/32/82/1075993282.db2.gz	XXNKKVMRDXDHGU-LBPRGKRZSA-N	1	1	405.446	1.867	20	0		HDADMO
CCS(=O)(=O)NCC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000493889755	1075993283	/nfs/dbraw/zinc/99/32/83/1075993283.db2.gz	XXNKKVMRDXDHGU-LBPRGKRZSA-N	1	1	405.446	1.867	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)c(=O)[nH]c21	ZINC000733164436	1075997846	/nfs/dbraw/zinc/99/78/46/1075997846.db2.gz	SRXZIHWMDYTEKL-VOTSOKGWSA-N	1	1	414.554	1.803	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N(C)CCN(C)C3CC[NH+](C)CC3)c(=O)[nH]c21	ZINC000733164436	1075997848	/nfs/dbraw/zinc/99/78/48/1075997848.db2.gz	SRXZIHWMDYTEKL-VOTSOKGWSA-N	1	1	414.554	1.803	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2C(=S)N=NC2c2ccc(C)cc2)CC1	ZINC000733169610	1075999764	/nfs/dbraw/zinc/99/97/64/1075999764.db2.gz	DFULUPXWFGDKHA-KRWDZBQOSA-N	1	1	416.595	1.932	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1	ZINC000733170671	1076000978	/nfs/dbraw/zinc/00/09/78/1076000978.db2.gz	PLNVOHYEINAOAK-JTGQJZMRSA-N	1	1	414.554	1.709	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2nnn(Cc3cc(C)on3)c2C)[C@@H](C)C1	ZINC000512965643	1076003891	/nfs/dbraw/zinc/00/38/91/1076003891.db2.gz	CQKBYHWBVACYQD-KBXCAEBGSA-N	1	1	404.515	1.798	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)C2)no1	ZINC000514020163	1076016080	/nfs/dbraw/zinc/01/60/80/1076016080.db2.gz	LUNNFBGYWRUNAV-ZWKOTPCHSA-N	1	1	420.558	1.742	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959497	1076019530	/nfs/dbraw/zinc/01/95/30/1076019530.db2.gz	KTFAJDRMOXPQTO-QQEKQYBASA-N	1	1	408.502	1.611	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081974926	1076020893	/nfs/dbraw/zinc/02/08/93/1076020893.db2.gz	ITMBGQXYUSSERM-VNXMGFANSA-N	1	1	400.519	1.931	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973605	1076021269	/nfs/dbraw/zinc/02/12/69/1076021269.db2.gz	PMDOKJPYKLHAMY-FSAOVCISSA-N	1	1	403.523	1.120	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081973910	1076021735	/nfs/dbraw/zinc/02/17/35/1076021735.db2.gz	YSUHIXYEJIUYSD-AYZHRIAMSA-N	1	1	403.523	1.120	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001082191667	1076024113	/nfs/dbraw/zinc/02/41/13/1076024113.db2.gz	ZZIDOQDXFNNVCS-SIFVSHMBSA-N	1	1	400.523	1.892	20	0		HDADMO
CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)C1	ZINC000727093347	1076043128	/nfs/dbraw/zinc/04/31/28/1076043128.db2.gz	GYJFASRUYRPUHR-SFHVURJKSA-N	1	1	421.513	1.754	20	0		HDADMO
C[NH+](C)CC(C)(C)CNC(=S)NN=c1ccc(S(=O)(=O)N2CCCC2)c[nH]1	ZINC000727074321	1076046211	/nfs/dbraw/zinc/04/62/11/1076046211.db2.gz	URCCTUZFCYGEDR-UHFFFAOYSA-N	1	1	414.601	1.245	20	0		HDADMO
CO[C@@H](CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(F)(F)F	ZINC000733339722	1076046306	/nfs/dbraw/zinc/04/63/06/1076046306.db2.gz	AVOYBHOEWQRXJT-HNNXBMFYSA-N	1	1	402.417	1.451	20	0		HDADMO
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000727117103	1076048219	/nfs/dbraw/zinc/04/82/19/1076048219.db2.gz	LSFZTEKPMDNZMZ-CVEARBPZSA-N	1	1	401.573	1.956	20	0		HDADMO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000727137781	1076051431	/nfs/dbraw/zinc/05/14/31/1076051431.db2.gz	GSEZVZRHXYIYSS-HOTGVXAUSA-N	1	1	410.559	1.691	20	0		HDADMO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000727137781	1076051435	/nfs/dbraw/zinc/05/14/35/1076051435.db2.gz	GSEZVZRHXYIYSS-HOTGVXAUSA-N	1	1	410.559	1.691	20	0		HDADMO
COCCNC(=O)c1c2c(sc1NC(=O)CN1CCC[N@@H+](C)CC1)CCCC2	ZINC000727105602	1076052090	/nfs/dbraw/zinc/05/20/90/1076052090.db2.gz	XIXVHMBBQIOYGV-UHFFFAOYSA-N	1	1	408.568	1.579	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccnc2N2CCC(O)CC2)CC1=O	ZINC000733362408	1076053252	/nfs/dbraw/zinc/05/32/52/1076053252.db2.gz	ZPMPOECPQBOUEY-DLBZAZTESA-N	1	1	415.538	1.314	20	0		HDADMO
Cc1nc2n(n1)C[C@H](NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CC2	ZINC000727223354	1076084156	/nfs/dbraw/zinc/08/41/56/1076084156.db2.gz	APOOOCLQRNQXLD-MRXNPFEDSA-N	1	1	421.546	1.143	20	0		HDADMO
CC(C)NC(=O)CNC(=S)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000727278768	1076089718	/nfs/dbraw/zinc/08/97/18/1076089718.db2.gz	XAPPVOVMPDSPSD-UHFFFAOYSA-N	1	1	405.612	1.573	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC001626110498	1076098234	/nfs/dbraw/zinc/09/82/34/1076098234.db2.gz	BDPLKRKHCFISDY-QGZVFWFLSA-N	1	1	423.579	1.944	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3ccc(S(C)(=O)=O)o3)CC2)c1	ZINC000733585985	1076114988	/nfs/dbraw/zinc/11/49/88/1076114988.db2.gz	IPBBJDRRQVJMEH-UHFFFAOYSA-N	1	1	420.487	1.493	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)COC[C@H]3CCCO3)CC2)cc1	ZINC000733593952	1076120191	/nfs/dbraw/zinc/12/01/91/1076120191.db2.gz	DYTMNBRMMUCGTC-HXUWFJFHSA-N	1	1	420.506	1.468	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)COC[C@H]3CCCO3)CC2)cc1	ZINC000733599256	1076123290	/nfs/dbraw/zinc/12/32/90/1076123290.db2.gz	ZTTHSSXHOAMJDM-HXUWFJFHSA-N	1	1	404.507	1.768	20	0		HDADMO
C[C@@H]1CN(CCNC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CCO1	ZINC000733645587	1076138983	/nfs/dbraw/zinc/13/89/83/1076138983.db2.gz	IUVXQXLRCKYUQH-LJQANCHMSA-N	1	1	405.543	1.036	20	0		HDADMO
C[C@H]1CN(CCNC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CCO1	ZINC000733645586	1076139058	/nfs/dbraw/zinc/13/90/58/1076139058.db2.gz	IUVXQXLRCKYUQH-IBGZPJMESA-N	1	1	405.543	1.036	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1	ZINC000526047390	1076171206	/nfs/dbraw/zinc/17/12/06/1076171206.db2.gz	XYDYPYMMZPZZDP-GOSISDBHSA-N	1	1	400.504	1.551	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1F	ZINC000727613793	1076183708	/nfs/dbraw/zinc/18/37/08/1076183708.db2.gz	POPWHPOGDVGXTP-HNNXBMFYSA-N	1	1	422.457	1.656	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CN(CC)c3ccccc3O2)CC1	ZINC000733793515	1076199674	/nfs/dbraw/zinc/19/96/74/1076199674.db2.gz	GLBAFWLYEINEAA-QZTJIDSGSA-N	1	1	418.538	1.895	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CN(CC)c3ccccc3O2)CC1	ZINC000733793515	1076199679	/nfs/dbraw/zinc/19/96/79/1076199679.db2.gz	GLBAFWLYEINEAA-QZTJIDSGSA-N	1	1	418.538	1.895	20	0		HDADMO
CCOC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCc3ccc(OC)cc3)C2=O)C1	ZINC000733787680	1076206526	/nfs/dbraw/zinc/20/65/26/1076206526.db2.gz	NCXFSYMHMIMWBR-KRWDZBQOSA-N	1	1	403.479	1.735	20	0		HDADMO
CCOC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCc3ccc(OC)cc3)C2=O)C1	ZINC000733787680	1076206537	/nfs/dbraw/zinc/20/65/37/1076206537.db2.gz	NCXFSYMHMIMWBR-KRWDZBQOSA-N	1	1	403.479	1.735	20	0		HDADMO
CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(Br)cn2)c1	ZINC000733798651	1076216913	/nfs/dbraw/zinc/21/69/13/1076216913.db2.gz	XSUCVCZKCZCAOX-UHFFFAOYSA-N	1	1	413.297	1.481	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)c1ccco1	ZINC000727765090	1076219066	/nfs/dbraw/zinc/21/90/66/1076219066.db2.gz	FNBGPSQZIAZYLO-FGTMMUONSA-N	1	1	401.463	1.771	20	0		HDADMO
C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[N@H+]1CCC[C@@H](C)C1	ZINC000727766845	1076220367	/nfs/dbraw/zinc/22/03/67/1076220367.db2.gz	MBYGSGLDPJYDLU-LFGUQSLTSA-N	1	1	403.523	1.995	20	0		HDADMO
O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727766714	1076220753	/nfs/dbraw/zinc/22/07/53/1076220753.db2.gz	DWLFYKLBJLQMCY-QFBILLFUSA-N	1	1	400.504	1.497	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H](c3ccco3)[NH+](C)C)C2)no1	ZINC000533132903	1076241612	/nfs/dbraw/zinc/24/16/12/1076241612.db2.gz	LHCSOBCNFBMHKJ-HZPDHXFCSA-N	1	1	418.498	1.660	20	0		HDADMO
CN1CCN(S(=O)(=O)c2ccc(N[C@H]3C[N@@H+](C)Cc4ccccc43)nc2)CC1	ZINC000534530655	1076247520	/nfs/dbraw/zinc/24/75/20/1076247520.db2.gz	MEMFCGMGYPFYRM-IBGZPJMESA-N	1	1	401.536	1.616	20	0		HDADMO
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000534560025	1076248701	/nfs/dbraw/zinc/24/87/01/1076248701.db2.gz	RHJDQEQUOSDCFE-SFTDATJTSA-N	1	1	410.518	1.846	20	0		HDADMO
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000534560025	1076248705	/nfs/dbraw/zinc/24/87/05/1076248705.db2.gz	RHJDQEQUOSDCFE-SFTDATJTSA-N	1	1	410.518	1.846	20	0		HDADMO
C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1	ZINC000733888543	1076250244	/nfs/dbraw/zinc/25/02/44/1076250244.db2.gz	GEZDXAJBCYUPKK-IERDGZPVSA-N	1	1	417.531	1.872	20	0		HDADMO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000535267010	1076250975	/nfs/dbraw/zinc/25/09/75/1076250975.db2.gz	AIQWUXCFQBCPBW-SUMWQHHRSA-N	1	1	405.524	1.007	20	0		HDADMO
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000535267010	1076250978	/nfs/dbraw/zinc/25/09/78/1076250978.db2.gz	AIQWUXCFQBCPBW-SUMWQHHRSA-N	1	1	405.524	1.007	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000535291185	1076252212	/nfs/dbraw/zinc/25/22/12/1076252212.db2.gz	ADAGRABEQZRTMA-OAQYLSRUSA-N	1	1	407.518	1.821	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000535291185	1076252217	/nfs/dbraw/zinc/25/22/17/1076252217.db2.gz	ADAGRABEQZRTMA-OAQYLSRUSA-N	1	1	407.518	1.821	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536047501	1076254657	/nfs/dbraw/zinc/25/46/57/1076254657.db2.gz	JAESDXDWXCNZFB-UWJYYQICSA-N	1	1	413.566	1.948	20	0		HDADMO
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536047501	1076254659	/nfs/dbraw/zinc/25/46/59/1076254659.db2.gz	JAESDXDWXCNZFB-UWJYYQICSA-N	1	1	413.566	1.948	20	0		HDADMO
CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)CC(C)(C)O	ZINC000733896417	1076256541	/nfs/dbraw/zinc/25/65/41/1076256541.db2.gz	BSDSYSNBLPNHBR-UHFFFAOYSA-N	1	1	424.567	1.969	20	0		HDADMO
CCNC(=O)c1cccc(NC(=O)CN[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)c1	ZINC000733897022	1076258328	/nfs/dbraw/zinc/25/83/28/1076258328.db2.gz	HUVGFMFLOZCIEF-DEOSSOPVSA-N	1	1	424.545	1.992	20	0		HDADMO
CCNC(=O)c1cccc(NC(=O)CN[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000733897022	1076258332	/nfs/dbraw/zinc/25/83/32/1076258332.db2.gz	HUVGFMFLOZCIEF-DEOSSOPVSA-N	1	1	424.545	1.992	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CN[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)o1	ZINC000733898283	1076258953	/nfs/dbraw/zinc/25/89/53/1076258953.db2.gz	POZGCUWNWKEAPD-HXUWFJFHSA-N	1	1	407.536	1.647	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)o1	ZINC000733898283	1076258962	/nfs/dbraw/zinc/25/89/62/1076258962.db2.gz	POZGCUWNWKEAPD-HXUWFJFHSA-N	1	1	407.536	1.647	20	0		HDADMO
COCCN1C(=O)c2ccc(C(=O)N3CCC[N@H+](C(C)C)CC3)cc2S1(=O)=O	ZINC000727807443	1076259715	/nfs/dbraw/zinc/25/97/15/1076259715.db2.gz	XAEJQEUKGFVUPN-UHFFFAOYSA-N	1	1	409.508	1.034	20	0		HDADMO
CN(C)C(=O)c1ccc(NC(=O)CN[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000733898692	1076259691	/nfs/dbraw/zinc/25/96/91/1076259691.db2.gz	RYPTUCMVYJDAKB-XMMPIXPASA-N	1	1	424.545	1.944	20	0		HDADMO
CN(C)C(=O)c1ccc(NC(=O)CN[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000733898692	1076259698	/nfs/dbraw/zinc/25/96/98/1076259698.db2.gz	RYPTUCMVYJDAKB-XMMPIXPASA-N	1	1	424.545	1.944	20	0		HDADMO
COCCS(=O)(=O)CCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1	ZINC000727828042	1076262853	/nfs/dbraw/zinc/26/28/53/1076262853.db2.gz	KVLGHVDTAOEDLI-UHFFFAOYSA-N	1	1	401.504	1.863	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OS(=O)(=O)c2cn(C)cn2)CC1	ZINC000727834868	1076265267	/nfs/dbraw/zinc/26/52/67/1076265267.db2.gz	DXBVAEYEJGCMBF-UHFFFAOYSA-N	1	1	412.899	1.619	20	0		HDADMO
COCCN(CC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000733916089	1076267949	/nfs/dbraw/zinc/26/79/49/1076267949.db2.gz	BUYPLUMTFNDMIM-HOTGVXAUSA-N	1	1	401.548	1.874	20	0		HDADMO
COc1ncc(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)cn1	ZINC000733920214	1076271120	/nfs/dbraw/zinc/27/11/20/1076271120.db2.gz	RHMCYSQPUKPKPU-UHFFFAOYSA-N	1	1	403.414	1.537	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000727853023	1076272366	/nfs/dbraw/zinc/27/23/66/1076272366.db2.gz	FCJMUOQRTSWTFW-UONOGXRCSA-N	1	1	420.432	1.090	20	0		HDADMO
COCCN(CC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000733951628	1076273148	/nfs/dbraw/zinc/27/31/48/1076273148.db2.gz	LDOLZECHOZMASQ-KSZLIROESA-N	1	1	413.559	1.970	20	0		HDADMO
COCCN(CC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000733951628	1076273154	/nfs/dbraw/zinc/27/31/54/1076273154.db2.gz	LDOLZECHOZMASQ-KSZLIROESA-N	1	1	413.559	1.970	20	0		HDADMO
COCCN(CC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000733951630	1076273278	/nfs/dbraw/zinc/27/32/78/1076273278.db2.gz	LDOLZECHOZMASQ-OKZBNKHCSA-N	1	1	413.559	1.970	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1	ZINC000727860128	1076275183	/nfs/dbraw/zinc/27/51/83/1076275183.db2.gz	SAUZNPGWPCEIPO-QGZVFWFLSA-N	1	1	424.505	1.681	20	0		HDADMO
CCCCc1ccc(N2C[C@@H](C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2=O)cc1	ZINC000733975496	1076280417	/nfs/dbraw/zinc/28/04/17/1076280417.db2.gz	YYAJCRGAODBUHD-IBGZPJMESA-N	1	1	414.550	1.662	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000733975710	1076280443	/nfs/dbraw/zinc/28/04/43/1076280443.db2.gz	KIBJVSNALDKGEY-CAPFRKAQSA-N	1	1	415.517	1.653	20	0		HDADMO
O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000733989850	1076285420	/nfs/dbraw/zinc/28/54/20/1076285420.db2.gz	FIRXQTFTTYZNJZ-OAHLLOKOSA-N	1	1	410.396	1.336	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COCc2ccccc2)CC1	ZINC000733995254	1076287216	/nfs/dbraw/zinc/28/72/16/1076287216.db2.gz	GPRSKDFDIXHCAG-MJGOQNOKSA-N	1	1	407.511	1.185	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)CN3CCC(C[NH+](C)C)CC3)CC2)c(F)c1	ZINC000727931118	1076288406	/nfs/dbraw/zinc/28/84/06/1076288406.db2.gz	ITLRTRIOMQGCRQ-UHFFFAOYSA-N	1	1	404.530	1.951	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)CC1=O	ZINC000734022495	1076292194	/nfs/dbraw/zinc/29/21/94/1076292194.db2.gz	JSKBSHXHEUZPKW-CMPZQBNXSA-N	1	1	409.477	1.621	20	0		HDADMO
Cc1ccn2ncc(C(=O)O[C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2n1	ZINC000734030805	1076293745	/nfs/dbraw/zinc/29/37/45/1076293745.db2.gz	HAYYXJOOCDMDOA-AEFFLSMTSA-N	1	1	407.474	1.974	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]21	ZINC001083148820	1076307418	/nfs/dbraw/zinc/30/74/18/1076307418.db2.gz	IKNXPAGKXHVCDZ-JNLXPOKBSA-N	1	1	402.466	1.540	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]21	ZINC001083148820	1076307420	/nfs/dbraw/zinc/30/74/20/1076307420.db2.gz	IKNXPAGKXHVCDZ-JNLXPOKBSA-N	1	1	402.466	1.540	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1	ZINC000728023539	1076308291	/nfs/dbraw/zinc/30/82/91/1076308291.db2.gz	GUTVFIOBKVSFQB-VIHDGPTJSA-N	1	1	422.595	1.257	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000728067713	1076315708	/nfs/dbraw/zinc/31/57/08/1076315708.db2.gz	YGGSEKOSCVJTTR-GONKEYIRSA-N	1	1	424.611	1.647	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000728067713	1076315710	/nfs/dbraw/zinc/31/57/10/1076315710.db2.gz	YGGSEKOSCVJTTR-GONKEYIRSA-N	1	1	424.611	1.647	20	0		HDADMO
COCCNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)CC1	ZINC000728041058	1076317735	/nfs/dbraw/zinc/31/77/35/1076317735.db2.gz	BEFPFWIDPREEAY-OAQYLSRUSA-N	1	1	402.495	1.194	20	0		HDADMO
COc1ccccc1C[NH+]1CCN(Cn2nc(CCC(N)=O)n(C)c2=S)CC1	ZINC000728050855	1076319450	/nfs/dbraw/zinc/31/94/50/1076319450.db2.gz	WGQSMIMINWMNEY-UHFFFAOYSA-N	1	1	404.540	1.153	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)c(F)c1	ZINC000728053453	1076320678	/nfs/dbraw/zinc/32/06/78/1076320678.db2.gz	KWVNMFUOPOYWPC-SFHVURJKSA-N	1	1	419.497	1.762	20	0		HDADMO
C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C[C@H]1CCCO1	ZINC000728054929	1076322294	/nfs/dbraw/zinc/32/22/94/1076322294.db2.gz	FIUXYEZFYAZQTF-CCAPLTMGSA-N	1	1	404.492	1.345	20	0		HDADMO
C[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C[C@H]1CCCO1	ZINC000728054929	1076322299	/nfs/dbraw/zinc/32/22/99/1076322299.db2.gz	FIUXYEZFYAZQTF-CCAPLTMGSA-N	1	1	404.492	1.345	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000728070178	1076332288	/nfs/dbraw/zinc/33/22/88/1076332288.db2.gz	FIDSRZPNHOAPSD-FHSFGEDOSA-N	1	1	408.568	1.185	20	0		HDADMO
Cc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1F	ZINC000728077464	1076334487	/nfs/dbraw/zinc/33/44/87/1076334487.db2.gz	JLEMOBAKKOVYKF-CVEARBPZSA-N	1	1	404.486	1.191	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2nc(NCc3ccco3)ncc2Cl)C1	ZINC000728078114	1076335046	/nfs/dbraw/zinc/33/50/46/1076335046.db2.gz	TUTNGMNFBWBZNR-CYBMUJFWSA-N	1	1	420.901	1.652	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000728140702	1076341355	/nfs/dbraw/zinc/34/13/55/1076341355.db2.gz	DPFUYBJCLKZWND-HOTGVXAUSA-N	1	1	406.502	1.837	20	0		HDADMO
NS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1	ZINC000024621992	1076345776	/nfs/dbraw/zinc/34/57/76/1076345776.db2.gz	JVOOJGMDUAYDKP-UHFFFAOYSA-N	1	1	401.532	1.654	20	0		HDADMO
CCC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1COc2ccccc2O1	ZINC000026663455	1076357971	/nfs/dbraw/zinc/35/79/71/1076357971.db2.gz	YEKZHDBLUYHGKU-INIZCTEOSA-N	1	1	419.503	1.825	20	0		HDADMO
CCC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1COc2ccccc2O1	ZINC000026663455	1076357974	/nfs/dbraw/zinc/35/79/74/1076357974.db2.gz	YEKZHDBLUYHGKU-INIZCTEOSA-N	1	1	419.503	1.825	20	0		HDADMO
C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C[N@H+](C)Cc3ccccc3)CC2)C1	ZINC000064458078	1076360744	/nfs/dbraw/zinc/36/07/44/1076360744.db2.gz	OMWYNCFOWQHEGI-BGYRXZFFSA-N	1	1	400.567	1.767	20	0		HDADMO
C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)CC2)C1	ZINC000064458078	1076360749	/nfs/dbraw/zinc/36/07/49/1076360749.db2.gz	OMWYNCFOWQHEGI-BGYRXZFFSA-N	1	1	400.567	1.767	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)COCc3ccccc3Cl)CC2)no1	ZINC000028802399	1076362005	/nfs/dbraw/zinc/36/20/05/1076362005.db2.gz	WXAWSQRTNTXFQT-KRWDZBQOSA-N	1	1	422.913	1.770	20	0		HDADMO
COCCS(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000728173001	1076364085	/nfs/dbraw/zinc/36/40/85/1076364085.db2.gz	MFXSMKSYQUKQRD-UHFFFAOYSA-N	1	1	412.508	1.517	20	0		HDADMO
CN(C)c1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)ccn1	ZINC001084539943	1076369585	/nfs/dbraw/zinc/36/95/85/1076369585.db2.gz	MRSQDPFOEBQHCF-WVXKDWSHSA-N	1	1	400.523	1.232	20	0		HDADMO
CN(C)c1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)ccn1	ZINC001084539943	1076369595	/nfs/dbraw/zinc/36/95/95/1076369595.db2.gz	MRSQDPFOEBQHCF-WVXKDWSHSA-N	1	1	400.523	1.232	20	0		HDADMO
CC1(C)CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC[N@@H+]1Cc1ccccc1	ZINC000729883404	1076375526	/nfs/dbraw/zinc/37/55/26/1076375526.db2.gz	ALDRPFQWCOMMJY-UHFFFAOYSA-N	1	1	419.489	1.724	20	0		HDADMO
CC1(C)CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC[N@H+]1Cc1ccccc1	ZINC000729883404	1076375536	/nfs/dbraw/zinc/37/55/36/1076375536.db2.gz	ALDRPFQWCOMMJY-UHFFFAOYSA-N	1	1	419.489	1.724	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1	ZINC000729979238	1076403976	/nfs/dbraw/zinc/40/39/76/1076403976.db2.gz	CHWXPLYVKYQYKL-OAHLLOKOSA-N	1	1	415.531	1.743	20	0		HDADMO
C[C@@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000730053405	1076427867	/nfs/dbraw/zinc/42/78/67/1076427867.db2.gz	GRGFCAJHSIOYEW-XLIONFOSSA-N	1	1	421.497	1.965	20	0		HDADMO
COC1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000730083697	1076431245	/nfs/dbraw/zinc/43/12/45/1076431245.db2.gz	TUUVLSPIAUIHIB-IRXDYDNUSA-N	1	1	411.543	1.460	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1)[NH+]1CCOCC1	ZINC000730085899	1076433062	/nfs/dbraw/zinc/43/30/62/1076433062.db2.gz	PIMDDVPRYCCYHC-OAHLLOKOSA-N	1	1	416.503	1.516	20	0		HDADMO
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3c[nH+]ccc3-n3cccn3)C2=O)cc1	ZINC000730088384	1076443437	/nfs/dbraw/zinc/44/34/37/1076443437.db2.gz	DBSHZUJZOITQSS-NRFANRHFSA-N	1	1	404.430	1.981	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730218192	1076480468	/nfs/dbraw/zinc/48/04/68/1076480468.db2.gz	FURZYZRFDVKBCG-KDOFPFPSSA-N	1	1	402.470	1.119	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730261860	1076502151	/nfs/dbraw/zinc/50/21/51/1076502151.db2.gz	HAPBZUFSWAGOGJ-CVEARBPZSA-N	1	1	404.515	1.113	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730261860	1076502156	/nfs/dbraw/zinc/50/21/56/1076502156.db2.gz	HAPBZUFSWAGOGJ-CVEARBPZSA-N	1	1	404.515	1.113	20	0		HDADMO
CCOc1cccc(N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)n1	ZINC000730264502	1076506073	/nfs/dbraw/zinc/50/60/73/1076506073.db2.gz	FGJNRPPJHQAXMN-UHFFFAOYSA-N	1	1	403.508	1.792	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000730273924	1076517246	/nfs/dbraw/zinc/51/72/46/1076517246.db2.gz	DZFULPCBZUBKFG-BETUJISGSA-N	1	1	403.527	1.425	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000730310486	1076526105	/nfs/dbraw/zinc/52/61/05/1076526105.db2.gz	JIRQSYBUZCNJQN-GOSISDBHSA-N	1	1	405.520	1.104	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C(C)C)cc1	ZINC000730568049	1076604306	/nfs/dbraw/zinc/60/43/06/1076604306.db2.gz	ARQDPFYZVGPRGY-LPHOPBHVSA-N	1	1	407.511	1.342	20	0		HDADMO
COC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000730683782	1076639901	/nfs/dbraw/zinc/63/99/01/1076639901.db2.gz	MCSNHVJBHPNBJN-GOSISDBHSA-N	1	1	417.510	1.432	20	0		HDADMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O	ZINC000730786270	1076657498	/nfs/dbraw/zinc/65/74/98/1076657498.db2.gz	OGRIRMZLFOYOQG-OKILXGFUSA-N	1	1	405.520	1.986	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1	ZINC000730787102	1076657939	/nfs/dbraw/zinc/65/79/39/1076657939.db2.gz	LTXBQLNIRHAMTA-APWZRJJASA-N	1	1	416.522	1.800	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C1	ZINC000730787531	1076657996	/nfs/dbraw/zinc/65/79/96/1076657996.db2.gz	LTXBQLNIRHAMTA-VQIMIIECSA-N	1	1	416.522	1.800	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000730825971	1076663315	/nfs/dbraw/zinc/66/33/15/1076663315.db2.gz	SYOAKRHAPLHGOW-HOCLYGCPSA-N	1	1	416.444	1.625	20	0		HDADMO
COc1ccc(F)cc1CN1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000730936786	1076696519	/nfs/dbraw/zinc/69/65/19/1076696519.db2.gz	NUUQDRBNDMIEJE-UHFFFAOYSA-N	1	1	407.511	1.842	20	0		HDADMO
Cc1cc2nc(C)cc(C(=O)NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)n2n1	ZINC000730971184	1076702021	/nfs/dbraw/zinc/70/20/21/1076702021.db2.gz	SLYDXQZHICSUNV-LJQANCHMSA-N	1	1	420.517	1.973	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cnn(-c4ccccc4)n3)c2)C1	ZINC000730975077	1076702508	/nfs/dbraw/zinc/70/25/08/1076702508.db2.gz	WBRLDZYTOUDMFT-IBGZPJMESA-N	1	1	418.501	1.895	20	0		HDADMO
COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000731008404	1076710038	/nfs/dbraw/zinc/71/00/38/1076710038.db2.gz	GSXOPHQAXNLYHT-OALUTQOASA-N	1	1	418.538	1.771	20	0		HDADMO
NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1	ZINC000731020289	1076712411	/nfs/dbraw/zinc/71/24/11/1076712411.db2.gz	QKPBIHKFJNXJSW-RKLIJYKOSA-N	1	1	410.518	1.390	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1	ZINC000731024870	1076712882	/nfs/dbraw/zinc/71/28/82/1076712882.db2.gz	JNDAHKFKIHRWAD-HOCLYGCPSA-N	1	1	421.519	1.082	20	0		HDADMO
C=C1c2ccccc2C(=O)N1CC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000731180695	1076745603	/nfs/dbraw/zinc/74/56/03/1076745603.db2.gz	SSVHSKGBIICOHJ-UHFFFAOYSA-N	1	1	424.545	1.906	20	0		HDADMO
CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4[nH]c(C(=O)OC)cc43)CC2)CC1	ZINC001164614024	719022580	/nfs/dbraw/zinc/02/25/80/719022580.db2.gz	LRRRMBMFYHWZNR-UHFFFAOYSA-N	1	1	415.494	1.940	20	0		HDADMO
COCCOc1cc2ncnc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2cc1OCCOC	ZINC001164667987	719378559	/nfs/dbraw/zinc/37/85/59/719378559.db2.gz	MJHCFTFFZQXMKX-PXNSSMCTSA-N	1	1	418.494	1.199	20	0		HDADMO
COCCOc1cc2ncnc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2cc1OCCOC	ZINC001164667985	719378817	/nfs/dbraw/zinc/37/88/17/719378817.db2.gz	MJHCFTFFZQXMKX-FXAWDEMLSA-N	1	1	418.494	1.199	20	0		HDADMO
Cc1cc2c(ncnc2N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1S(=O)(=O)c1ccccc1	ZINC001164669562	719380105	/nfs/dbraw/zinc/38/01/05/719380105.db2.gz	RCEIEELSYURJPU-ZWKOTPCHSA-N	1	1	413.503	1.496	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)n1	ZINC001164685207	719716652	/nfs/dbraw/zinc/71/66/52/719716652.db2.gz	SCSIRVCTQHXFDL-UHFFFAOYSA-N	1	1	409.918	1.416	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)ccc21	ZINC001164705595	719854502	/nfs/dbraw/zinc/85/45/02/719854502.db2.gz	UQIQPZHTPNUIEA-VFNWGFHPSA-N	1	1	400.479	1.871	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(N)=O)cc2ccccc21	ZINC001164707847	719871184	/nfs/dbraw/zinc/87/11/84/719871184.db2.gz	WCIMZZPZJGGXOM-AOMKIAJQSA-N	1	1	412.490	1.566	20	0		HDADMO
COc1cc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)[nH+]c2ccccc21	ZINC001164708900	719916574	/nfs/dbraw/zinc/91/65/74/719916574.db2.gz	MLFTVQSECLCWDT-UHFFFAOYSA-N	1	1	420.517	1.927	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2	ZINC001164814139	720097369	/nfs/dbraw/zinc/09/73/69/720097369.db2.gz	VOLCLEXMMKCYBX-QRWLVFNGSA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)C2	ZINC001164814139	720097372	/nfs/dbraw/zinc/09/73/72/720097372.db2.gz	VOLCLEXMMKCYBX-QRWLVFNGSA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)C2	ZINC001164814139	720097374	/nfs/dbraw/zinc/09/73/74/720097374.db2.gz	VOLCLEXMMKCYBX-QRWLVFNGSA-N	1	1	419.551	1.546	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC	ZINC001164809713	720107249	/nfs/dbraw/zinc/10/72/49/720107249.db2.gz	IKKJTAKXLLISQF-HRAATJIYSA-N	1	1	404.511	1.847	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC	ZINC001164807938	720136904	/nfs/dbraw/zinc/13/69/04/720136904.db2.gz	CZOVGABZKMVBIN-PXNSSMCTSA-N	1	1	408.568	1.565	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1	ZINC001164816857	720166599	/nfs/dbraw/zinc/16/65/99/720166599.db2.gz	NFXQOBQOYVXRHO-PXNSSMCTSA-N	1	1	408.568	1.565	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164812848	720210231	/nfs/dbraw/zinc/21/02/31/720210231.db2.gz	MOKZIWRKZVRYMV-UHFFFAOYSA-N	1	1	420.901	1.724	20	0		HDADMO
CCOC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1	ZINC001164720242	720211685	/nfs/dbraw/zinc/21/16/85/720211685.db2.gz	XJOGGXCUZLKLIV-HXUWFJFHSA-N	1	1	424.929	1.577	20	0		HDADMO
CCOC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1	ZINC001164720242	720211698	/nfs/dbraw/zinc/21/16/98/720211698.db2.gz	XJOGGXCUZLKLIV-HXUWFJFHSA-N	1	1	424.929	1.577	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3C(=O)OC)C2)C1	ZINC001164716817	720213734	/nfs/dbraw/zinc/21/37/34/720213734.db2.gz	FLQHZSNYDBONJA-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3C(=O)OC)C2)C1	ZINC001164716817	720213739	/nfs/dbraw/zinc/21/37/39/720213739.db2.gz	FLQHZSNYDBONJA-LJQANCHMSA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(C(=O)OC)c[nH]c4n3)C2)C1	ZINC001164720469	720234236	/nfs/dbraw/zinc/23/42/36/720234236.db2.gz	WPDHCPQKFISPPG-OAQYLSRUSA-N	1	1	415.494	1.014	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(C(=O)OC)c[nH]c4n3)C2)C1	ZINC001164720469	720234243	/nfs/dbraw/zinc/23/42/43/720234243.db2.gz	WPDHCPQKFISPPG-OAQYLSRUSA-N	1	1	415.494	1.014	20	0		HDADMO
CCc1cc2c(ncnc2N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)s1	ZINC001164718602	720246208	/nfs/dbraw/zinc/24/62/08/720246208.db2.gz	FXNZAPRCNRGRPV-FQEVSTJZSA-N	1	1	403.552	1.919	20	0		HDADMO
CCc1cc2c(ncnc2N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)s1	ZINC001164718602	720246215	/nfs/dbraw/zinc/24/62/15/720246215.db2.gz	FXNZAPRCNRGRPV-FQEVSTJZSA-N	1	1	403.552	1.919	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OC(C)(C)C)cn3)C2)C1	ZINC001164718659	720247930	/nfs/dbraw/zinc/24/79/30/720247930.db2.gz	GIOZENQWZGMUMZ-JOCHJYFZSA-N	1	1	418.538	1.702	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OC(C)(C)C)cn3)C2)C1	ZINC001164718659	720247938	/nfs/dbraw/zinc/24/79/38/720247938.db2.gz	GIOZENQWZGMUMZ-JOCHJYFZSA-N	1	1	418.538	1.702	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(NC(=O)C(C)(C)C)nn3)C2)C1	ZINC001164720057	720249638	/nfs/dbraw/zinc/24/96/38/720249638.db2.gz	QVXPJXZRFFJQSF-NRFANRHFSA-N	1	1	418.542	1.126	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(NC(=O)C(C)(C)C)nn3)C2)C1	ZINC001164720057	720249645	/nfs/dbraw/zinc/24/96/45/720249645.db2.gz	QVXPJXZRFFJQSF-NRFANRHFSA-N	1	1	418.542	1.126	20	0		HDADMO
CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(N4CCCCC4)cc[nH+]3)C2)C1	ZINC001164723246	720265861	/nfs/dbraw/zinc/26/58/61/720265861.db2.gz	VNNQVDJDHNOXAR-OAQYLSRUSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(SCC(=O)OC)n3)C2)C1	ZINC001164724232	720274395	/nfs/dbraw/zinc/27/43/95/720274395.db2.gz	ZXDHJSXJALPGNU-FQEVSTJZSA-N	1	1	422.551	1.012	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(SCC(=O)OC)n3)C2)C1	ZINC001164724232	720274410	/nfs/dbraw/zinc/27/44/10/720274410.db2.gz	ZXDHJSXJALPGNU-FQEVSTJZSA-N	1	1	422.551	1.012	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)C1	ZINC001164723716	720287295	/nfs/dbraw/zinc/28/72/95/720287295.db2.gz	XCJUFKLQTLMORC-JOCHJYFZSA-N	1	1	416.570	1.378	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)C1	ZINC001164723716	720287308	/nfs/dbraw/zinc/28/73/08/720287308.db2.gz	XCJUFKLQTLMORC-JOCHJYFZSA-N	1	1	416.570	1.378	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccncc4)nc(C)n3)C2)C1	ZINC001164723318	720293372	/nfs/dbraw/zinc/29/33/72/720293372.db2.gz	WSLVOFXOFIBITJ-QFIPXVFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccncc4)nc(C)n3)C2)C1	ZINC001164723318	720293383	/nfs/dbraw/zinc/29/33/83/720293383.db2.gz	WSLVOFXOFIBITJ-QFIPXVFZSA-N	1	1	410.522	1.512	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)n2)CC1	ZINC001164732771	720503114	/nfs/dbraw/zinc/50/31/14/720503114.db2.gz	XCJOZTXTZAHAFU-AVRDEDQJSA-N	1	1	423.521	1.248	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3S(N)(=O)=O)CC[C@@H]21	ZINC001164834935	720515261	/nfs/dbraw/zinc/51/52/61/720515261.db2.gz	INLFEXSBGPMMPB-IKGGRYGDSA-N	1	1	404.540	1.303	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164742995	720612757	/nfs/dbraw/zinc/61/27/57/720612757.db2.gz	NWTQUUFQBZKRJK-STQMWFEESA-N	1	1	404.858	1.439	20	0		HDADMO
COC(=O)c1cc2c(OC)[nH]c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc-2n1	ZINC001164742664	720690130	/nfs/dbraw/zinc/69/01/30/720690130.db2.gz	WGUCZAYGHJJQKY-ZIAGYGMSSA-N	1	1	424.461	1.490	20	0		HDADMO
COC(=O)c1cc2ccncc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741079	720709998	/nfs/dbraw/zinc/70/99/98/720709998.db2.gz	SPWDHOREMDGUPI-CVEARBPZSA-N	1	1	406.446	1.548	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(S(N)(=O)=O)ccn1)CC2	ZINC001164838817	720718287	/nfs/dbraw/zinc/71/82/87/720718287.db2.gz	JEXHJCCUJFCCMU-SFHVURJKSA-N	1	1	416.547	1.989	20	0		HDADMO
Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1C	ZINC001164738663	720752170	/nfs/dbraw/zinc/75/21/70/720752170.db2.gz	GNNOZUQNSLZFLM-STQMWFEESA-N	1	1	400.874	1.457	20	0		HDADMO
Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1C	ZINC001164738658	720752927	/nfs/dbraw/zinc/75/29/27/720752927.db2.gz	GNNOZUQNSLZFLM-CHWSQXEVSA-N	1	1	400.874	1.457	20	0		HDADMO
CS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164740251	720820724	/nfs/dbraw/zinc/82/07/24/720820724.db2.gz	JWOMVYIIBVPASN-FGTMMUONSA-N	1	1	416.551	1.456	20	0		HDADMO
COC(=O)Cc1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164742597	720825591	/nfs/dbraw/zinc/82/55/91/720825591.db2.gz	QBRZVCSSXVMELX-DFQSSKMNSA-N	1	1	410.522	1.768	20	0		HDADMO
O=C1COc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2N1	ZINC001164745931	720833079	/nfs/dbraw/zinc/83/30/79/720833079.db2.gz	OGYQYNCVOHCRPN-BRWVUGGUSA-N	1	1	409.494	1.383	20	0		HDADMO
CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c12	ZINC001164851357	720842967	/nfs/dbraw/zinc/84/29/67/720842967.db2.gz	GUOQMAJBVWJJFJ-GDBMZVCRSA-N	1	1	403.483	1.308	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c12	ZINC001164851357	720842969	/nfs/dbraw/zinc/84/29/69/720842969.db2.gz	GUOQMAJBVWJJFJ-GDBMZVCRSA-N	1	1	403.483	1.308	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c12	ZINC001164851357	720842972	/nfs/dbraw/zinc/84/29/72/720842972.db2.gz	GUOQMAJBVWJJFJ-GDBMZVCRSA-N	1	1	403.483	1.308	20	0		HDADMO
CCNC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164749654	720845701	/nfs/dbraw/zinc/84/57/01/720845701.db2.gz	WOKDTWSKJWFANC-HSALFYBXSA-N	1	1	409.538	1.802	20	0		HDADMO
COCCOc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164739537	720849184	/nfs/dbraw/zinc/84/91/84/720849184.db2.gz	AZMRBCPOUHJIJZ-IPMKNSEASA-N	1	1	413.526	1.473	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc4cnccc4cc3C(=O)OC)CC[C@@H]2C1	ZINC001164859545	720859497	/nfs/dbraw/zinc/85/94/97/720859497.db2.gz	UHCSHYDZKVWXGK-VQIMIIECSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc4cnccc4cc3C(=O)OC)CC[C@@H]2C1	ZINC001164859539	720859731	/nfs/dbraw/zinc/85/97/31/720859731.db2.gz	UHCSHYDZKVWXGK-APWZRJJASA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)Nc3cc(C)on3)CC[C@@H]2C1	ZINC001164856756	720873738	/nfs/dbraw/zinc/87/37/38/720873738.db2.gz	JDXGYWUUJRLBRP-AEFFLSMTSA-N	1	1	415.494	1.804	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(OC)nc(Cl)n3)CC[C@@H]2C1	ZINC001164860569	720890747	/nfs/dbraw/zinc/89/07/47/720890747.db2.gz	OXBGTUUQEAVXOO-OLZOCXBDSA-N	1	1	406.861	1.857	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(OC)nc(Cl)n3)CC[C@H]2C1	ZINC001164860570	720890770	/nfs/dbraw/zinc/89/07/70/720890770.db2.gz	OXBGTUUQEAVXOO-QWHCGFSZSA-N	1	1	406.861	1.857	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)nc1)C1CC1	ZINC001164855805	720896504	/nfs/dbraw/zinc/89/65/04/720896504.db2.gz	CEOFAJOUKGEUKG-UHFFFAOYSA-N	1	1	405.506	1.888	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)c4ccno4)[C@H]3C2)nc1)C1CC1	ZINC001164859089	720913722	/nfs/dbraw/zinc/91/37/22/720913722.db2.gz	OOYWBYPZMOEEQJ-KPFFTGBYSA-N	1	1	411.506	1.935	20	0		HDADMO
O=c1ccccn1-c1nccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164875485	721157448	/nfs/dbraw/zinc/15/74/48/721157448.db2.gz	LRCDFYHCOHNCEO-OALUTQOASA-N	1	1	404.474	1.502	20	0		HDADMO
NS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879923	721170135	/nfs/dbraw/zinc/17/01/35/721170135.db2.gz	VJYFTHPPKRXEKH-CABCVRRESA-N	1	1	423.926	1.257	20	0		HDADMO
COC(OC)c1c(CO)ccnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164772357	721177157	/nfs/dbraw/zinc/17/71/57/721177157.db2.gz	SWTWTYPTCWBUJN-WMZOPIPTSA-N	1	1	401.511	1.557	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164767604	721180149	/nfs/dbraw/zinc/18/01/49/721180149.db2.gz	KEOHYEMPSRRQQC-DLBZAZTESA-N	1	1	423.521	1.837	20	0		HDADMO
COC(=O)c1cc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C	ZINC001164764312	721187715	/nfs/dbraw/zinc/18/77/15/721187715.db2.gz	HALPKYGAFXQTBN-DOTOQJQBSA-N	1	1	409.494	1.447	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1	ZINC001164769450	721194730	/nfs/dbraw/zinc/19/47/30/721194730.db2.gz	MMIWJAFYROAKEQ-IRXDYDNUSA-N	1	1	404.540	1.024	20	0		HDADMO
CSc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164870561	721272434	/nfs/dbraw/zinc/27/24/34/721272434.db2.gz	ZWUXWYFANLJXQG-UHFFFAOYSA-N	1	1	413.975	1.859	20	0		HDADMO
COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1C	ZINC001164874537	721276868	/nfs/dbraw/zinc/27/68/68/721276868.db2.gz	UGYKTAHIIOYFBN-UHFFFAOYSA-N	1	1	404.511	1.184	20	0		HDADMO
CNC(=O)c1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ccc1Cl	ZINC001164873392	721277859	/nfs/dbraw/zinc/27/78/59/721277859.db2.gz	LTTYZEBMHCVQLM-UHFFFAOYSA-N	1	1	423.945	1.102	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc4cc(F)ccc4n3)CC2)C1	ZINC001164875309	721280247	/nfs/dbraw/zinc/28/02/47/721280247.db2.gz	VEALZBRISVLOJY-UHFFFAOYSA-N	1	1	401.486	1.776	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cncc(N4CCCCC4)n3)CC2)C1	ZINC001164872918	721280863	/nfs/dbraw/zinc/28/08/63/721280863.db2.gz	IJSCWKRDDKUEAC-UHFFFAOYSA-N	1	1	416.570	1.474	20	0		HDADMO
Cc1noc(-c2cccnc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1	ZINC001164873466	721284828	/nfs/dbraw/zinc/28/48/28/721284828.db2.gz	MULSNHSMYAFLMR-UHFFFAOYSA-N	1	1	414.510	1.447	20	0		HDADMO
CN(C)C(=O)CN1CCOCC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)C1	ZINC001164877171	721286522	/nfs/dbraw/zinc/28/65/22/721286522.db2.gz	LZHVRQWTAYFASY-UHFFFAOYSA-N	1	1	415.582	1.683	20	0		HDADMO
CN(C)C(=O)CN1CCOCC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)C1	ZINC001164877171	721286525	/nfs/dbraw/zinc/28/65/25/721286525.db2.gz	LZHVRQWTAYFASY-UHFFFAOYSA-N	1	1	415.582	1.683	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(-c4ccncc4)ncn3)CC2)C1	ZINC001164875694	721286555	/nfs/dbraw/zinc/28/65/55/721286555.db2.gz	FWCDCHKGAFIQJY-UHFFFAOYSA-N	1	1	410.522	1.546	20	0		HDADMO
Cn1cc(N2C[C@@]3(CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C3)CC2=O)cn1	ZINC001164888779	721373266	/nfs/dbraw/zinc/37/32/66/721373266.db2.gz	WSKNGMFFTGKMOW-QFIPXVFZSA-N	1	1	410.522	1.922	20	0		HDADMO
CC(C)OC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164887319	721394620	/nfs/dbraw/zinc/39/46/20/721394620.db2.gz	HQCDQRXOEADXHY-GCJKJVERSA-N	1	1	417.554	1.807	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Cl)n4)C3)O2)CC1	ZINC001164891329	721397623	/nfs/dbraw/zinc/39/76/23/721397623.db2.gz	QIPAUPSOMMJUCK-CXAGYDPISA-N	1	1	401.342	1.944	20	0		HDADMO
CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncn1	ZINC001164892298	721399138	/nfs/dbraw/zinc/39/91/38/721399138.db2.gz	SSTGQILFTZJCMG-UWJYYQICSA-N	1	1	403.527	1.419	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cn1	ZINC001164891375	721408194	/nfs/dbraw/zinc/40/81/94/721408194.db2.gz	VONHMSMPDNJWLZ-LAUBAEHRSA-N	1	1	403.527	1.419	20	0		HDADMO
CCOC(=O)c1ncnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C	ZINC001164885779	721417514	/nfs/dbraw/zinc/41/75/14/721417514.db2.gz	HJEYPHDIYDFWKE-AVRDEDQJSA-N	1	1	417.554	1.727	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc5ncnc(Cl)c5n4)C3)O2)CC1	ZINC001164884680	721423287	/nfs/dbraw/zinc/42/32/87/721423287.db2.gz	FHAXVFFOAWVXAP-YWZLYKJASA-N	1	1	417.945	1.839	20	0		HDADMO
CCNC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164893173	721432563	/nfs/dbraw/zinc/43/25/63/721432563.db2.gz	JQFHKYJCHIAOBR-KNQAVFIVSA-N	1	1	401.555	1.597	20	0		HDADMO
CCNC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164893177	721432638	/nfs/dbraw/zinc/43/26/38/721432638.db2.gz	JQFHKYJCHIAOBR-UGKGYDQZSA-N	1	1	401.555	1.597	20	0		HDADMO
CCCNC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164899893	721434135	/nfs/dbraw/zinc/43/41/35/721434135.db2.gz	ZMRPPANLXXJBTJ-CVDCTZTESA-N	1	1	415.582	1.987	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccnc(-n5ccccc5=O)n4)C3)O2)CC1	ZINC001164896870	721438549	/nfs/dbraw/zinc/43/85/49/721438549.db2.gz	SHYNGFKZIZKRQY-AUSIDOKSSA-N	1	1	424.549	1.393	20	0		HDADMO
CCOC(=O)c1nccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164899840	721438750	/nfs/dbraw/zinc/43/87/50/721438750.db2.gz	ZGKZNNCKOCAOPB-UTKZUKDTSA-N	1	1	403.527	1.419	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CC5)nn4)C3)O2)CC1	ZINC001164899434	721441180	/nfs/dbraw/zinc/44/11/80/721441180.db2.gz	YLPDWOQNPAVPBX-GCJKJVERSA-N	1	1	414.554	1.134	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1	ZINC001164893098	721446260	/nfs/dbraw/zinc/44/62/60/721446260.db2.gz	JAAIWBOVADSTHN-FOIQADDNSA-N	1	1	407.946	1.599	20	0		HDADMO
Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1C1C[NH2+]C1	ZINC001164890982	721453440	/nfs/dbraw/zinc/45/34/40/721453440.db2.gz	TXJTYCRSCOIXEQ-KNQAVFIVSA-N	1	1	400.571	1.237	20	0		HDADMO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CNC3)CC2	ZINC001164788605	721459418	/nfs/dbraw/zinc/45/94/18/721459418.db2.gz	UROALDVSLSABSK-LJQANCHMSA-N	1	1	401.555	1.814	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CNC3)CC2	ZINC001164788605	721459420	/nfs/dbraw/zinc/45/94/20/721459420.db2.gz	UROALDVSLSABSK-LJQANCHMSA-N	1	1	401.555	1.814	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1	ZINC001164899658	721513469	/nfs/dbraw/zinc/51/34/69/721513469.db2.gz	LMCPBFMXANOGRX-ICSRJNTNSA-N	1	1	412.513	1.709	20	0		HDADMO
CN1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1	ZINC001164899658	721513472	/nfs/dbraw/zinc/51/34/72/721513472.db2.gz	LMCPBFMXANOGRX-ICSRJNTNSA-N	1	1	412.513	1.709	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164810258	721587122	/nfs/dbraw/zinc/58/71/22/721587122.db2.gz	VNTHTDJQEWYNQA-WFXMLNOXSA-N	1	1	406.494	1.629	20	0		HDADMO
NS(=O)(=O)c1cccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC001164912196	721737327	/nfs/dbraw/zinc/73/73/27/721737327.db2.gz	MOOVICGXPLBLSB-SFHVURJKSA-N	1	1	423.489	1.862	20	0		HDADMO
Clc1nc2nc[nH]c2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1	ZINC001164912382	721769491	/nfs/dbraw/zinc/76/94/91/721769491.db2.gz	LDWAVBGHUXKVFI-LJQANCHMSA-N	1	1	415.885	1.509	20	0		HDADMO
Clc1nc2nc[nH]c2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1	ZINC001164912382	721769494	/nfs/dbraw/zinc/76/94/94/721769494.db2.gz	LDWAVBGHUXKVFI-LJQANCHMSA-N	1	1	415.885	1.509	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)n2)CC1	ZINC001164922319	721840619	/nfs/dbraw/zinc/84/06/19/721840619.db2.gz	HIBHTANXCBQISD-AVRDEDQJSA-N	1	1	410.522	1.293	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1C(=O)OCC	ZINC001164929011	721855590	/nfs/dbraw/zinc/85/55/90/721855590.db2.gz	PRYBAVASPYKYBB-HOTGVXAUSA-N	1	1	405.499	1.045	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1C(=O)OCC	ZINC001164929011	721855593	/nfs/dbraw/zinc/85/55/93/721855593.db2.gz	PRYBAVASPYKYBB-HOTGVXAUSA-N	1	1	405.499	1.045	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1	ZINC001164926086	721856610	/nfs/dbraw/zinc/85/66/10/721856610.db2.gz	HDHDSTMFJDNMJE-LSDHHAIUSA-N	1	1	403.556	1.138	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1	ZINC001164926086	721856612	/nfs/dbraw/zinc/85/66/12/721856612.db2.gz	HDHDSTMFJDNMJE-LSDHHAIUSA-N	1	1	403.556	1.138	20	0		HDADMO
Cc1ccc(N(c2cccc(N3CCN(C)CC3)n2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001164957947	722025479	/nfs/dbraw/zinc/02/54/79/722025479.db2.gz	CGIZGSVLWDCDHJ-XXBNENTESA-N	1	1	423.565	1.981	20	0		HDADMO
Cc1ccc(N(c2ccc(N3CCN(C)CC3)nn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001164963462	722025536	/nfs/dbraw/zinc/02/55/36/722025536.db2.gz	UMKOIYLYNXUSNV-XMSQKQJNSA-N	1	1	424.553	1.376	20	0		HDADMO
O=S(=O)(c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1)N1CCCCC1	ZINC001164967031	722075111	/nfs/dbraw/zinc/07/51/11/722075111.db2.gz	KMIDUORZQNCHBQ-HDICACEKSA-N	1	1	406.552	1.556	20	0		HDADMO
NC(=O)c1cc(Cl)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164984376	722103520	/nfs/dbraw/zinc/10/35/20/722103520.db2.gz	SWZWRTREIVSBGU-MAUKXSAKSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982231	722126462	/nfs/dbraw/zinc/12/64/62/722126462.db2.gz	WOUFEDGDMAAZNC-HUUCEWRRSA-N	1	1	402.886	1.351	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164983733	722128859	/nfs/dbraw/zinc/12/88/59/722128859.db2.gz	ZLDXUQQBQGJYPS-ROUUACIJSA-N	1	1	417.535	1.112	20	0		HDADMO
Cc1cc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)C(=O)NC2=O	ZINC001164984642	722138101	/nfs/dbraw/zinc/13/81/01/722138101.db2.gz	YDCBNYHKGJYLMU-WMZOPIPTSA-N	1	1	407.474	1.396	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164979728	722151692	/nfs/dbraw/zinc/15/16/92/722151692.db2.gz	LVDILHCNFYSZSY-MOPGFXCFSA-N	1	1	406.494	1.488	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164975330	722155969	/nfs/dbraw/zinc/15/59/69/722155969.db2.gz	SNVLZVSZKJOERC-DOTOQJQBSA-N	1	1	416.913	1.612	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164975331	722156358	/nfs/dbraw/zinc/15/63/58/722156358.db2.gz	SNVLZVSZKJOERC-NVXWUHKLSA-N	1	1	416.913	1.612	20	0		HDADMO
CCOC(=O)/C=C/c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996994	722229481	/nfs/dbraw/zinc/22/94/81/722229481.db2.gz	LOKOOPHCDWHXMP-VOTSOKGWSA-N	1	1	422.533	1.805	20	0		HDADMO
COc1cccc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c21	ZINC001165001477	722237495	/nfs/dbraw/zinc/23/74/95/722237495.db2.gz	GJOIGKPEFIRCHP-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
CN1CCN(c2ncnc3c2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)CC3)CC1	ZINC001165001869	722237935	/nfs/dbraw/zinc/23/79/35/722237935.db2.gz	NRURXWIVXOSRFO-UHFFFAOYSA-N	1	1	407.566	1.823	20	0		HDADMO
C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Oc1ccc(Cl)cc1	ZINC000429051667	1073479528	/nfs/dbraw/zinc/47/95/28/1073479528.db2.gz	AHPFEBBFBUXZOT-LPHOPBHVSA-N	1	1	423.941	1.937	20	0		HDADMO
CCOCCN1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1	ZINC000429051837	1073479618	/nfs/dbraw/zinc/47/96/18/1073479618.db2.gz	IXCBYSHLGKNIDA-OAQYLSRUSA-N	1	1	404.555	1.641	20	0		HDADMO
O=C1N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CCN1C(=O)c2ccccc2C1=O	ZINC000509089345	1073506390	/nfs/dbraw/zinc/50/63/90/1073506390.db2.gz	JJJRPIJGMFZVQA-HSZRJFAPSA-N	1	1	418.453	1.479	20	0		HDADMO
CNC(=O)COc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1OC	ZINC000625180616	1073547302	/nfs/dbraw/zinc/54/73/02/1073547302.db2.gz	ARYCARZQMDOHEA-QGZVFWFLSA-N	1	1	405.495	1.147	20	0		HDADMO
Cc1sc2ncn(CC(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)c(=O)c2c1C	ZINC000625189499	1073556532	/nfs/dbraw/zinc/55/65/32/1073556532.db2.gz	MHVGEXZKFJPKSI-INIZCTEOSA-N	1	1	404.536	1.788	20	0		HDADMO
O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625189526	1073556575	/nfs/dbraw/zinc/55/65/75/1073556575.db2.gz	MMYZGLGGKMWIBH-MRXNPFEDSA-N	1	1	413.478	1.159	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(N(C)CCOC)nc3)C2)no1	ZINC000483184772	1073592791	/nfs/dbraw/zinc/59/27/91/1073592791.db2.gz	XYMZDBRIKKQLNY-GOSISDBHSA-N	1	1	416.526	1.733	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(N(C)CCOC)nc3)C2)no1	ZINC000483184772	1073592804	/nfs/dbraw/zinc/59/28/04/1073592804.db2.gz	XYMZDBRIKKQLNY-GOSISDBHSA-N	1	1	416.526	1.733	20	0		HDADMO
CNC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1	ZINC001299283921	1073604527	/nfs/dbraw/zinc/60/45/27/1073604527.db2.gz	ALCBXSCZOUYBGD-SFHVURJKSA-N	1	1	419.574	1.049	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1	ZINC000673658225	1073605263	/nfs/dbraw/zinc/60/52/63/1073605263.db2.gz	GXYXRTXBMVGPEY-HDICACEKSA-N	1	1	401.555	1.708	20	0		HDADMO
Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(S(N)(=O)=O)c1C	ZINC000673669279	1073622456	/nfs/dbraw/zinc/62/24/56/1073622456.db2.gz	GWXBNPFCKNTDFF-SFHVURJKSA-N	1	1	408.568	1.191	20	0		HDADMO
Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(S(N)(=O)=O)c1C	ZINC000673669279	1073622458	/nfs/dbraw/zinc/62/24/58/1073622458.db2.gz	GWXBNPFCKNTDFF-SFHVURJKSA-N	1	1	408.568	1.191	20	0		HDADMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1	ZINC000673692872	1073636796	/nfs/dbraw/zinc/63/67/96/1073636796.db2.gz	QMHHBSZCFGGEGV-INIZCTEOSA-N	1	1	411.524	1.104	20	0		HDADMO
C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000673713581	1073652717	/nfs/dbraw/zinc/65/27/17/1073652717.db2.gz	DZQPQDDOUPSJIP-LPHOPBHVSA-N	1	1	416.547	1.867	20	0		HDADMO
CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)[nH]c1=O	ZINC000673715473	1073654348	/nfs/dbraw/zinc/65/43/48/1073654348.db2.gz	WAFSPFLBYHEUSL-QGZVFWFLSA-N	1	1	413.522	1.576	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000673716606	1073655198	/nfs/dbraw/zinc/65/51/98/1073655198.db2.gz	XLGQYGJEUFUXCE-FPOVZHCZSA-N	1	1	408.550	1.720	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O	ZINC000673748790	1073672353	/nfs/dbraw/zinc/67/23/53/1073672353.db2.gz	GJYPGMRZACQWCX-INIZCTEOSA-N	1	1	423.517	1.312	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O	ZINC000673748792	1073672452	/nfs/dbraw/zinc/67/24/52/1073672452.db2.gz	GJYPGMRZACQWCX-MRXNPFEDSA-N	1	1	423.517	1.312	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000509137105	1073701224	/nfs/dbraw/zinc/70/12/24/1073701224.db2.gz	JUCHYWGOTNEHRE-DKSSEZFCSA-N	1	1	407.946	1.547	20	0		HDADMO
CCC[N@@H+](CC)CCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1	ZINC000673761825	1073702420	/nfs/dbraw/zinc/70/24/20/1073702420.db2.gz	IRBJJIPEUUZGLE-UHFFFAOYSA-N	1	1	412.560	1.017	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000673771932	1073705514	/nfs/dbraw/zinc/70/55/14/1073705514.db2.gz	PFCRSRSLUGUALX-PKOBYXMFSA-N	1	1	408.568	1.716	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CCN(C)CC1	ZINC000673769737	1073713121	/nfs/dbraw/zinc/71/31/21/1073713121.db2.gz	UYRFVYDQRRFZSI-LJQANCHMSA-N	1	1	401.555	1.457	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](CCCO)c2ccccc2)C[C@@H](C)O1	ZINC000509144687	1073729347	/nfs/dbraw/zinc/72/93/47/1073729347.db2.gz	RNHAGIFZAIAAFW-RMVXJAJNSA-N	1	1	417.550	1.717	20	0		HDADMO
C[C@H](CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1	ZINC000673777942	1073734293	/nfs/dbraw/zinc/73/42/93/1073734293.db2.gz	QGZSXZTYRSLDBV-IRLDBZIGSA-N	1	1	417.598	1.603	20	0		HDADMO
C[C@H](CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1	ZINC000673777942	1073734302	/nfs/dbraw/zinc/73/43/02/1073734302.db2.gz	QGZSXZTYRSLDBV-IRLDBZIGSA-N	1	1	417.598	1.603	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429134472	1073738284	/nfs/dbraw/zinc/73/82/84/1073738284.db2.gz	KFKJTJCDBGOXSW-SJORKVTESA-N	1	1	411.572	1.123	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1	ZINC000429135508	1073740158	/nfs/dbraw/zinc/74/01/58/1073740158.db2.gz	OCLQSCMJOZHGOY-UHFFFAOYSA-N	1	1	409.487	1.401	20	0		HDADMO
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000673810496	1073753907	/nfs/dbraw/zinc/75/39/07/1073753907.db2.gz	RCEZOIAFTLFTNR-KRWDZBQOSA-N	1	1	408.524	1.456	20	0		HDADMO
O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1c1ncccn1	ZINC000673814438	1073757811	/nfs/dbraw/zinc/75/78/11/1073757811.db2.gz	KAKJQSRWSWUADS-OAQYLSRUSA-N	1	1	408.550	1.770	20	0		HDADMO
C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCOCc2ccccc2)CCO1	ZINC001108089223	1073768853	/nfs/dbraw/zinc/76/88/53/1073768853.db2.gz	GQHPAMPGSUIHRN-OJMNFPMESA-N	1	1	400.519	1.834	20	0		HDADMO
C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCOCc2ccccc2)CCO1	ZINC001108089223	1073768856	/nfs/dbraw/zinc/76/88/56/1073768856.db2.gz	GQHPAMPGSUIHRN-OJMNFPMESA-N	1	1	400.519	1.834	20	0		HDADMO
O=C([C@@H]1CCCN1c1ncccn1)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000673816881	1073772533	/nfs/dbraw/zinc/77/25/33/1073772533.db2.gz	LGFGXKFZSPYOLU-HNNXBMFYSA-N	1	1	401.433	1.559	20	0		HDADMO
COC(=O)c1ccccc1-n1ncc(NCCC[NH+]2CCOCC2)c(Cl)c1=O	ZINC000029227231	1073781282	/nfs/dbraw/zinc/78/12/82/1073781282.db2.gz	BWAKOFSGTDQOBE-UHFFFAOYSA-N	1	1	406.870	1.807	20	0		HDADMO
CC(C)(C)NC(=O)C[NH+]1CCC(CNS(=O)(=O)c2cccc3c2OCO3)CC1	ZINC000509162710	1073808400	/nfs/dbraw/zinc/80/84/00/1073808400.db2.gz	MCJCJAOAQJLGSL-UHFFFAOYSA-N	1	1	411.524	1.320	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000057322839	1073816245	/nfs/dbraw/zinc/81/62/45/1073816245.db2.gz	KJYHCTSCCLFVKN-CTNGQTDRSA-N	1	1	416.566	1.194	20	0		HDADMO
NC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1F	ZINC000673875738	1073841816	/nfs/dbraw/zinc/84/18/16/1073841816.db2.gz	DSGXYLGPXKXTGI-KXBFYZLASA-N	1	1	400.454	1.929	20	0		HDADMO
COCCNC(=O)Cn1cc(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cn1	ZINC000673874890	1073843174	/nfs/dbraw/zinc/84/31/74/1073843174.db2.gz	QMZUZENHGRVUFF-IBGZPJMESA-N	1	1	414.510	1.384	20	0		HDADMO
COc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1OC	ZINC000673876686	1073843201	/nfs/dbraw/zinc/84/32/01/1073843201.db2.gz	SMSXVHZKUXRIIO-OAHLLOKOSA-N	1	1	420.510	1.274	20	0		HDADMO
O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000673876606	1073843901	/nfs/dbraw/zinc/84/39/01/1073843901.db2.gz	HDDIZQPGKXQYIG-MJGOQNOKSA-N	1	1	410.509	1.898	20	0		HDADMO
O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000673878774	1073849266	/nfs/dbraw/zinc/84/92/66/1073849266.db2.gz	OTISUEMTWOIOBE-FPOVZHCZSA-N	1	1	410.518	1.958	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(OC[C@@H]2CCCO2)c1	ZINC000466548073	1073851402	/nfs/dbraw/zinc/85/14/02/1073851402.db2.gz	KYWCQJAGRDGIOS-QUCCMNQESA-N	1	1	404.555	1.988	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1	ZINC000673884354	1073856746	/nfs/dbraw/zinc/85/67/46/1073856746.db2.gz	XGAAJYVJIVBBTJ-WOJBJXKFSA-N	1	1	400.523	1.682	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc(F)c(F)cc3Cl)CC2)C1	ZINC000673886062	1073857704	/nfs/dbraw/zinc/85/77/04/1073857704.db2.gz	APDRBDHLDSDEPW-LBPRGKRZSA-N	1	1	400.857	1.795	20	0		HDADMO
Cc1cc(C(=O)CN2CC[NH+](C(C)(C)CO)CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1	ZINC000673896014	1073867040	/nfs/dbraw/zinc/86/70/40/1073867040.db2.gz	NZXPAAYIXDZASI-QGZVFWFLSA-N	1	1	411.568	1.036	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C1([NH+]2CCOCC2)CCCC1	ZINC000673938751	1073911530	/nfs/dbraw/zinc/91/15/30/1073911530.db2.gz	DOEVOSQWICXGRF-QGZVFWFLSA-N	1	1	423.579	1.542	20	0		HDADMO
CC(C)C[C@H](CNC(=O)CCNS(=O)(=O)c1cccs1)[NH+]1CCOCC1	ZINC000026061714	1073918448	/nfs/dbraw/zinc/91/84/48/1073918448.db2.gz	MYEDQZQGEKIJEA-OAHLLOKOSA-N	1	1	403.570	1.280	20	0		HDADMO
C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000670432457	1073927188	/nfs/dbraw/zinc/92/71/88/1073927188.db2.gz	SLJWQYKKXPFXND-DFQSSKMNSA-N	1	1	403.523	1.013	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(c2cccnn2)CC1	ZINC000429175311	1073947331	/nfs/dbraw/zinc/94/73/31/1073947331.db2.gz	SPNUWLJUNWCAFS-HSZRJFAPSA-N	1	1	424.549	1.724	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc(C(=O)OCC)c1	ZINC000429176551	1073950962	/nfs/dbraw/zinc/95/09/62/1073950962.db2.gz	OQKSRBGCTGFJQK-CQSZACIVSA-N	1	1	407.467	1.570	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc(C(=O)OCC)c1	ZINC000429176551	1073950966	/nfs/dbraw/zinc/95/09/66/1073950966.db2.gz	OQKSRBGCTGFJQK-CQSZACIVSA-N	1	1	407.467	1.570	20	0		HDADMO
Cc1c([C@H](C)[NH2+]CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cnn1C	ZINC000543514917	1073952603	/nfs/dbraw/zinc/95/26/03/1073952603.db2.gz	NDSPXWLDIIKKLG-DZGCQCFKSA-N	1	1	410.565	1.657	20	0		HDADMO
CO[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC[C@@H]1C	ZINC000466566619	1073953499	/nfs/dbraw/zinc/95/34/99/1073953499.db2.gz	KZLLMHSSACUDAI-LPHOPBHVSA-N	1	1	424.567	1.902	20	0		HDADMO
CO[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC[C@@H]1C	ZINC000466566619	1073953502	/nfs/dbraw/zinc/95/35/02/1073953502.db2.gz	KZLLMHSSACUDAI-LPHOPBHVSA-N	1	1	424.567	1.902	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC2CCN(c3cccnn3)CC2)C[C@H](C)O1	ZINC000429176013	1073957993	/nfs/dbraw/zinc/95/79/93/1073957993.db2.gz	LUWLNOKNXWLHIM-SCTDSRPQSA-N	1	1	402.543	1.729	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC2CCN(c3cccnn3)CC2)C[C@H](C)O1	ZINC000429176013	1073957998	/nfs/dbraw/zinc/95/79/98/1073957998.db2.gz	LUWLNOKNXWLHIM-SCTDSRPQSA-N	1	1	402.543	1.729	20	0		HDADMO
C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C(=O)N3CCC[C@@H](O)C3)cc2)C[C@H]1C	ZINC000670443583	1073976768	/nfs/dbraw/zinc/97/67/68/1073976768.db2.gz	ABGKPZDRWHCEDZ-WSTZPKSXSA-N	1	1	417.550	1.295	20	0		HDADMO
C[C@H](NC(=O)C[N@H+](CCO)CCN1CCOCC1)c1ccc(Cl)cc1Cl	ZINC000484424294	1073999423	/nfs/dbraw/zinc/99/94/23/1073999423.db2.gz	ONNGHZMOVBOYTR-AWEZNQCLSA-N	1	1	404.338	1.797	20	0		HDADMO
C[C@H](NC(=O)C[N@@H+](CCO)CCN1CCOCC1)c1ccc(Cl)cc1Cl	ZINC000484424294	1073999425	/nfs/dbraw/zinc/99/94/25/1073999425.db2.gz	ONNGHZMOVBOYTR-AWEZNQCLSA-N	1	1	404.338	1.797	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1	ZINC000509190005	1074004463	/nfs/dbraw/zinc/00/44/63/1074004463.db2.gz	KTSBTAZSQUPPLN-CABCVRRESA-N	1	1	415.581	1.621	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1	ZINC000509190005	1074004472	/nfs/dbraw/zinc/00/44/72/1074004472.db2.gz	KTSBTAZSQUPPLN-CABCVRRESA-N	1	1	415.581	1.621	20	0		HDADMO
C[C@@]1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO[C@H]1C1CC1	ZINC000466581604	1074019399	/nfs/dbraw/zinc/01/93/99/1074019399.db2.gz	OHBJJQACEVQKMI-RXVVDRJESA-N	1	1	402.543	1.493	20	0		HDADMO
O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000509192470	1074027384	/nfs/dbraw/zinc/02/73/84/1074027384.db2.gz	QZEUOOMGDASSDF-KRWDZBQOSA-N	1	1	401.511	1.191	20	0		HDADMO
O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1	ZINC000429191438	1074034149	/nfs/dbraw/zinc/03/41/49/1074034149.db2.gz	GYZYRBAGVMKSFN-PMACEKPBSA-N	1	1	410.522	1.380	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1	ZINC000543535622	1074040518	/nfs/dbraw/zinc/04/05/18/1074040518.db2.gz	YBWKZUPPODCSJT-KRWDZBQOSA-N	1	1	415.538	1.779	20	0		HDADMO
O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc2c1OCO2	ZINC000509195853	1074044668	/nfs/dbraw/zinc/04/46/68/1074044668.db2.gz	LPBAOVSQQPIZHO-DLBZAZTESA-N	1	1	404.488	1.577	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCO1	ZINC001649123321	1074054121	/nfs/dbraw/zinc/05/41/21/1074054121.db2.gz	VHTHEPKEABXXLI-UEXGIBASSA-N	1	1	406.527	1.415	20	0		HDADMO
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000228950848	1074064466	/nfs/dbraw/zinc/06/44/66/1074064466.db2.gz	ZZVKZGZMBGYQFZ-SJLPKXTDSA-N	1	1	406.502	1.284	20	0		HDADMO
CC(C)[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccc(F)cc1	ZINC000506829592	1074066735	/nfs/dbraw/zinc/06/67/35/1074066735.db2.gz	BLEXCJBJGXFKLR-UHFFFAOYSA-N	1	1	420.529	1.039	20	0		HDADMO
CCC[C@@H]1CCCC[N@H+]1CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000543557253	1074094110	/nfs/dbraw/zinc/09/41/10/1074094110.db2.gz	RLMYVKICVDGBEC-MRXNPFEDSA-N	1	1	423.558	1.821	20	0		HDADMO
CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1ccccc1F	ZINC000674030527	1074099023	/nfs/dbraw/zinc/09/90/23/1074099023.db2.gz	KSMMUTCEVHNJTL-ROUUACIJSA-N	1	1	408.518	1.689	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)CC1	ZINC000674033112	1074102797	/nfs/dbraw/zinc/10/27/97/1074102797.db2.gz	UOCOPAFTGVXJJD-LJQANCHMSA-N	1	1	415.582	1.864	20	0		HDADMO
C[N@@H+](CCN1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1)Cc1ccccc1	ZINC000674035046	1074105789	/nfs/dbraw/zinc/10/57/89/1074105789.db2.gz	IEMNIDWFSTYYSO-UHFFFAOYSA-N	1	1	410.584	1.269	20	0		HDADMO
O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1cccnc1N1CCCCC1	ZINC000509210358	1074135059	/nfs/dbraw/zinc/13/50/59/1074135059.db2.gz	VKTQJSGAEJHRLR-QGZVFWFLSA-N	1	1	403.527	1.364	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H](C(C)C)N1CCCC1=O	ZINC000509218874	1074170694	/nfs/dbraw/zinc/17/06/94/1074170694.db2.gz	QLKCNFQUMYDBOV-FQEVSTJZSA-N	1	1	416.522	1.668	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1	ZINC000674090102	1074180657	/nfs/dbraw/zinc/18/06/57/1074180657.db2.gz	PHNFKRCNAWBOIZ-KRWDZBQOSA-N	1	1	403.433	1.705	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCCN2CCC[N@@H+](C)CC2)CCCC1	ZINC000674093254	1074181238	/nfs/dbraw/zinc/18/12/38/1074181238.db2.gz	XWTLMZMOYAKRHI-UHFFFAOYSA-N	1	1	418.586	1.223	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCC[N@@H+]2CCCN(C)CC2)CCCC1	ZINC000674093254	1074181249	/nfs/dbraw/zinc/18/12/49/1074181249.db2.gz	XWTLMZMOYAKRHI-UHFFFAOYSA-N	1	1	418.586	1.223	20	0		HDADMO
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCC[N@H+]2CCCN(C)CC2)CCCC1	ZINC000674093254	1074181255	/nfs/dbraw/zinc/18/12/55/1074181255.db2.gz	XWTLMZMOYAKRHI-UHFFFAOYSA-N	1	1	418.586	1.223	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)nc(C)n1	ZINC000674159967	1074195704	/nfs/dbraw/zinc/19/57/04/1074195704.db2.gz	UFFSIBJGFPTCSF-LJQANCHMSA-N	1	1	415.586	1.530	20	0		HDADMO
COc1cc(CN2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1OC	ZINC000674148662	1074198735	/nfs/dbraw/zinc/19/87/35/1074198735.db2.gz	PPCVXWISYDJJSP-KRWDZBQOSA-N	1	1	406.527	1.634	20	0		HDADMO
CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000674192348	1074206573	/nfs/dbraw/zinc/20/65/73/1074206573.db2.gz	ANRVMEZBXVFOII-KRWDZBQOSA-N	1	1	408.524	1.377	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)c3cccc(O)c3)cc2)CC1	ZINC000674200470	1074231288	/nfs/dbraw/zinc/23/12/88/1074231288.db2.gz	VOTVQJRESFEVJK-INIZCTEOSA-N	1	1	424.501	1.986	20	0		HDADMO
Cc1cccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1	ZINC000674276894	1074259028	/nfs/dbraw/zinc/25/90/28/1074259028.db2.gz	MIRHRVBAIWGKHT-NJDAHSKKSA-N	1	1	403.567	1.857	20	0		HDADMO
CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000674332573	1074286677	/nfs/dbraw/zinc/28/66/77/1074286677.db2.gz	TZOWFVLNKKJJMP-UHFFFAOYSA-N	1	1	416.570	1.540	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1NCc1cccnc1	ZINC000674361317	1074292827	/nfs/dbraw/zinc/29/28/27/1074292827.db2.gz	IXFYKMLWTSYBPT-HXUWFJFHSA-N	1	1	409.534	1.830	20	0		HDADMO
CC(C)CN(C(=O)C[NH2+][C@H](Cn1cccn1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000674372346	1074300109	/nfs/dbraw/zinc/30/01/09/1074300109.db2.gz	ZQCCSKVTGSMYSK-WOJBJXKFSA-N	1	1	418.563	1.886	20	0		HDADMO
CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C	ZINC001273133716	1074306816	/nfs/dbraw/zinc/30/68/16/1074306816.db2.gz	NNOURARPSCQJPB-SJORKVTESA-N	1	1	411.568	1.997	20	0		HDADMO
CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674395779	1074310154	/nfs/dbraw/zinc/31/01/54/1074310154.db2.gz	FOKQLHXKURRDOR-NHCUHLMSSA-N	1	1	404.555	1.233	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c1)CC2	ZINC000674421429	1074323892	/nfs/dbraw/zinc/32/38/92/1074323892.db2.gz	XFLIWFOJFBNWAU-IBGZPJMESA-N	1	1	424.505	1.303	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C[N@H+]3CCC[C@H]3C(N)=O)c1)CC2	ZINC000674421429	1074323898	/nfs/dbraw/zinc/32/38/98/1074323898.db2.gz	XFLIWFOJFBNWAU-IBGZPJMESA-N	1	1	424.505	1.303	20	0		HDADMO
C[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@@H+]1CCc2sccc2C1	ZINC000674424159	1074325387	/nfs/dbraw/zinc/32/53/87/1074325387.db2.gz	HVKMTQFFENABHI-RCDCFZSISA-N	1	1	419.551	1.514	20	0		HDADMO
C[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@H+]1CCc2sccc2C1	ZINC000674424159	1074325392	/nfs/dbraw/zinc/32/53/92/1074325392.db2.gz	HVKMTQFFENABHI-RCDCFZSISA-N	1	1	419.551	1.514	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN1CCCS1(=O)=O	ZINC000674438357	1074334934	/nfs/dbraw/zinc/33/49/34/1074334934.db2.gz	BLQYOKJNVLBLOZ-HKUYNNGSSA-N	1	1	408.568	1.574	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1	ZINC000674438406	1074337042	/nfs/dbraw/zinc/33/70/42/1074337042.db2.gz	IEWGOMBNQLTRKT-XMSQKQJNSA-N	1	1	413.522	1.543	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC000674432870	1074343710	/nfs/dbraw/zinc/34/37/10/1074343710.db2.gz	PRWMZIZEVYSPNK-RADWXHQJSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC000674432870	1074343719	/nfs/dbraw/zinc/34/37/19/1074343719.db2.gz	PRWMZIZEVYSPNK-RADWXHQJSA-N	1	1	413.522	1.623	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)[C@@H](C)C1	ZINC000674432796	1074343775	/nfs/dbraw/zinc/34/37/75/1074343775.db2.gz	HWDGZKMPKUFDMM-IAGYGMIVSA-N	1	1	423.558	1.143	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1	ZINC000674448555	1074347557	/nfs/dbraw/zinc/34/75/57/1074347557.db2.gz	KPJLSJNRYMDYJR-KGWSRGFLSA-N	1	1	407.559	1.763	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)CCN2C1=O	ZINC000674469697	1074368415	/nfs/dbraw/zinc/36/84/15/1074368415.db2.gz	JWAMQQVUADGYEH-HIFRSBDPSA-N	1	1	412.284	1.157	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000674481238	1074379815	/nfs/dbraw/zinc/37/98/15/1074379815.db2.gz	VJOJPWRHIZZSHW-SFHVURJKSA-N	1	1	416.522	1.995	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O	ZINC000674501572	1074397879	/nfs/dbraw/zinc/39/78/79/1074397879.db2.gz	MOCJICZOUXOKMC-AWEZNQCLSA-N	1	1	409.284	1.746	20	0		HDADMO
C[C@H]1CCc2c(sc3nc(CC[N@H+](C)CCN4CCCS4(=O)=O)nc(N)c23)C1	ZINC000674495796	1074406908	/nfs/dbraw/zinc/40/69/08/1074406908.db2.gz	NWHCOKUENIOGFN-ZDUSSCGKSA-N	1	1	423.608	1.908	20	0		HDADMO
C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)CCN4CCCS4(=O)=O)nc(N)c23)C1	ZINC000674495796	1074406914	/nfs/dbraw/zinc/40/69/14/1074406914.db2.gz	NWHCOKUENIOGFN-ZDUSSCGKSA-N	1	1	423.608	1.908	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ncccc2OC)C3)CC[N@H+]1C	ZINC001005370982	1074429109	/nfs/dbraw/zinc/42/91/09/1074429109.db2.gz	UXGJFETXOLSWCW-DARIXABFSA-N	1	1	400.523	1.611	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)C[C@@H]2C)CC1	ZINC000674539569	1074429871	/nfs/dbraw/zinc/42/98/71/1074429871.db2.gz	RLTYBBZBPWDIRD-RYQLBKOJSA-N	1	1	418.563	1.364	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)c3ccc(N4CC[NH+](CC)CC4)c(F)c3)CCN2C1=O	ZINC000674595597	1074462966	/nfs/dbraw/zinc/46/29/66/1074462966.db2.gz	WUFXTIJYHRPGPJ-GOSISDBHSA-N	1	1	417.485	1.076	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1	ZINC000674584740	1074466224	/nfs/dbraw/zinc/46/62/24/1074466224.db2.gz	OSWNPGDNYPNDDL-UHFFFAOYSA-N	1	1	418.538	1.609	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)[C@@H](C)[NH+]1CCN(c3ccc(F)cc3)CC1)CC2	ZINC000674592980	1074471268	/nfs/dbraw/zinc/47/12/68/1074471268.db2.gz	DECXGUFCLQZRLN-MRXNPFEDSA-N	1	1	413.497	1.498	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O	ZINC000674595209	1074474348	/nfs/dbraw/zinc/47/43/48/1074474348.db2.gz	TWXGAIZCBYIGEL-SJLPKXTDSA-N	1	1	402.470	1.533	20	0		HDADMO
CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1	ZINC000674623874	1074483252	/nfs/dbraw/zinc/48/32/52/1074483252.db2.gz	NNXHQDYUQUSNSS-DYESRHJHSA-N	1	1	401.511	1.658	20	0		HDADMO
COc1ccc(F)cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001005437755	1074493839	/nfs/dbraw/zinc/49/38/39/1074493839.db2.gz	GKGQAZGFONACFS-PYJZQUQOSA-N	1	1	403.498	1.965	20	0		HDADMO
C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000674668981	1074519891	/nfs/dbraw/zinc/51/98/91/1074519891.db2.gz	IGIGGPNUVQDDHR-CRAIPNDOSA-N	1	1	409.552	1.253	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000674699982	1074528772	/nfs/dbraw/zinc/52/87/72/1074528772.db2.gz	XWGADZKVRSTVOH-KRWDZBQOSA-N	1	1	420.554	1.940	20	0		HDADMO
COc1cc(OC)cc(OCCCNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000674699982	1074528778	/nfs/dbraw/zinc/52/87/78/1074528778.db2.gz	XWGADZKVRSTVOH-KRWDZBQOSA-N	1	1	420.554	1.940	20	0		HDADMO
Cc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(N2CCOCC2)c1	ZINC000674707824	1074536135	/nfs/dbraw/zinc/53/61/35/1074536135.db2.gz	RQUUZZGQLDHOPA-FQEVSTJZSA-N	1	1	402.539	1.838	20	0		HDADMO
O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000674711348	1074537642	/nfs/dbraw/zinc/53/76/42/1074537642.db2.gz	CDNLMLHLANRMEF-LJQANCHMSA-N	1	1	414.506	1.134	20	0		HDADMO
COCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)ccc1=O	ZINC000674811672	1074576012	/nfs/dbraw/zinc/57/60/12/1074576012.db2.gz	OAYLFWIWIPXRKV-SFHVURJKSA-N	1	1	415.490	1.516	20	0		HDADMO
CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O	ZINC000674871092	1074592831	/nfs/dbraw/zinc/59/28/31/1074592831.db2.gz	IVQXWJWKPPYWTQ-LJQANCHMSA-N	1	1	424.611	1.893	20	0		HDADMO
Cc1nc(COc2ccccc2C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cs1	ZINC000674905603	1074608164	/nfs/dbraw/zinc/60/81/64/1074608164.db2.gz	UTECVVASSCTUBZ-UHFFFAOYSA-N	1	1	402.520	1.877	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](C(C)C)C3)cc2)CC1	ZINC000674894325	1074610575	/nfs/dbraw/zinc/61/05/75/1074610575.db2.gz	JTBQZAIASBHEIN-GOSISDBHSA-N	1	1	400.523	1.907	20	0		HDADMO
C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(OCCCO)CC1	ZINC000674913997	1074613120	/nfs/dbraw/zinc/61/31/20/1074613120.db2.gz	BIYKJVSINRFJOW-OAHLLOKOSA-N	1	1	413.540	1.127	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1	ZINC000674907085	1074614575	/nfs/dbraw/zinc/61/45/75/1074614575.db2.gz	RGDRXBPWKHRLRG-GBESFXJTSA-N	1	1	402.495	1.548	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1	ZINC000674907085	1074614578	/nfs/dbraw/zinc/61/45/78/1074614578.db2.gz	RGDRXBPWKHRLRG-GBESFXJTSA-N	1	1	402.495	1.548	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@H]([C@H]4CCCO4)C3)CC2)cc1	ZINC000674913753	1074618290	/nfs/dbraw/zinc/61/82/90/1074618290.db2.gz	MNRNATKJAXLFQX-YADHBBJMSA-N	1	1	401.551	1.909	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC000674924428	1074623699	/nfs/dbraw/zinc/62/36/99/1074623699.db2.gz	GCFDULJGQNBSFE-QRVBRYPASA-N	1	1	403.527	1.182	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1	ZINC000674917048	1074627518	/nfs/dbraw/zinc/62/75/18/1074627518.db2.gz	IFZXDYSZHUAYRN-FGZHOGPDSA-N	1	1	416.566	1.914	20	0		HDADMO
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000674935156	1074637697	/nfs/dbraw/zinc/63/76/97/1074637697.db2.gz	VQRKXYWVFZHDSN-CWRNSKLLSA-N	1	1	401.429	1.940	20	0		HDADMO
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000674935156	1074637702	/nfs/dbraw/zinc/63/77/02/1074637702.db2.gz	VQRKXYWVFZHDSN-CWRNSKLLSA-N	1	1	401.429	1.940	20	0		HDADMO
CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F	ZINC001128904967	1074653245	/nfs/dbraw/zinc/65/32/45/1074653245.db2.gz	UPURLBOFMLOJGD-OLZOCXBDSA-N	1	1	415.865	1.881	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCC(OCCCO)CC3)cc2)CC1	ZINC000674971270	1074655527	/nfs/dbraw/zinc/65/55/27/1074655527.db2.gz	AENIABHMBOEDRU-UHFFFAOYSA-N	1	1	418.538	1.147	20	0		HDADMO
C[C@H]1CN(CN2C(=O)c3ccc(Br)cc3C2=O)CC[N@H+]1CC(C)(C)O	ZINC000766087643	1074665747	/nfs/dbraw/zinc/66/57/47/1074665747.db2.gz	JUFFIWQEOQKLRX-LBPRGKRZSA-N	1	1	410.312	1.780	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)Nc2cnn(CCO)c2)C[C@@H](C)O1	ZINC000674994900	1074670484	/nfs/dbraw/zinc/67/04/84/1074670484.db2.gz	WWTQJLZMXQFMIP-HUUCEWRRSA-N	1	1	401.467	1.062	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)nn1-c1ccc(F)cc1F	ZINC000569169306	1074681077	/nfs/dbraw/zinc/68/10/77/1074681077.db2.gz	YHPIUVAFCDQJBM-AWEZNQCLSA-N	1	1	405.449	2.198	20	0		HDADMO
O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC001128924300	1074691528	/nfs/dbraw/zinc/69/15/28/1074691528.db2.gz	WXYQSAVMQJBLHA-QHAWAJNXSA-N	1	1	413.543	1.991	20	0		HDADMO
O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC001128924297	1074691575	/nfs/dbraw/zinc/69/15/75/1074691575.db2.gz	WXYQSAVMQJBLHA-PCCBWWKXSA-N	1	1	413.543	1.991	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)c2ccc(N3CCOCC3)nc2)CC1=O	ZINC000543611813	1074697569	/nfs/dbraw/zinc/69/75/69/1074697569.db2.gz	RZMNAHOIQOFGGF-IEBWSBKVSA-N	1	1	415.538	1.214	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1	ZINC000675041891	1074698683	/nfs/dbraw/zinc/69/86/83/1074698683.db2.gz	CUJDDVHOXNXMNB-DOTOQJQBSA-N	1	1	409.552	1.650	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O	ZINC000675096217	1074708447	/nfs/dbraw/zinc/70/84/47/1074708447.db2.gz	VPTDCLFLKWAFNR-WBVHZDCISA-N	1	1	419.551	1.638	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)s1	ZINC000532435419	1074709776	/nfs/dbraw/zinc/70/97/76/1074709776.db2.gz	OUMDTVURMMZZFV-KBPBESRZSA-N	1	1	411.528	1.799	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O	ZINC000675098234	1074710272	/nfs/dbraw/zinc/71/02/72/1074710272.db2.gz	WHDJTQXCKCITAD-RBUKOAKNSA-N	1	1	413.522	1.229	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)CCN2C1=O	ZINC000675106759	1074721576	/nfs/dbraw/zinc/72/15/76/1074721576.db2.gz	NMHKOPCIGRYXHM-FUHWJXTLSA-N	1	1	401.511	1.575	20	0		HDADMO
C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)c2)C[C@H](C)O1	ZINC000675127254	1074734170	/nfs/dbraw/zinc/73/41/70/1074734170.db2.gz	CBUSNIUKQMFDSX-LSTDLKDCSA-N	1	1	403.523	1.902	20	0		HDADMO
CC(C)(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCCO1	ZINC000675176737	1074749436	/nfs/dbraw/zinc/74/94/36/1074749436.db2.gz	XHVFDFQYODUCQS-GOSISDBHSA-N	1	1	404.559	1.883	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1	ZINC000675190058	1074752188	/nfs/dbraw/zinc/75/21/88/1074752188.db2.gz	HEPUWKHZTDVLPR-GOSISDBHSA-N	1	1	402.539	1.858	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1	ZINC000675190058	1074752195	/nfs/dbraw/zinc/75/21/95/1074752195.db2.gz	HEPUWKHZTDVLPR-GOSISDBHSA-N	1	1	402.539	1.858	20	0		HDADMO
Cc1c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675188288	1074752309	/nfs/dbraw/zinc/75/23/09/1074752309.db2.gz	JJKLZSFFYMNHMF-MJGOQNOKSA-N	1	1	408.506	1.447	20	0		HDADMO
CN(CCCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)S(=O)(=O)c1ccc(F)cc1	ZINC000675218763	1074760437	/nfs/dbraw/zinc/76/04/37/1074760437.db2.gz	ZQQMXUBKYRLHGN-QGZVFWFLSA-N	1	1	413.515	1.160	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC[C@H]21	ZINC000766100341	1074770588	/nfs/dbraw/zinc/77/05/88/1074770588.db2.gz	ZXQIXSUTIUZWLG-ZVGUJKQYSA-N	1	1	402.470	1.535	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1C	ZINC000439454361	1074770759	/nfs/dbraw/zinc/77/07/59/1074770759.db2.gz	MYAQDKYVFIRFJR-OAHLLOKOSA-N	1	1	409.412	2.077	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1C	ZINC000439454361	1074770766	/nfs/dbraw/zinc/77/07/66/1074770766.db2.gz	MYAQDKYVFIRFJR-OAHLLOKOSA-N	1	1	409.412	2.077	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000675267748	1074777011	/nfs/dbraw/zinc/77/70/11/1074777011.db2.gz	QNRUAQBTTLFECO-SFHVURJKSA-N	1	1	412.494	1.531	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000675267744	1074777194	/nfs/dbraw/zinc/77/71/94/1074777194.db2.gz	QNRUAQBTTLFECO-GOSISDBHSA-N	1	1	412.494	1.531	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000675252527	1074778463	/nfs/dbraw/zinc/77/84/63/1074778463.db2.gz	XUXLABBZASHEAA-KRWDZBQOSA-N	1	1	401.536	1.912	20	0		HDADMO
Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000675252527	1074778470	/nfs/dbraw/zinc/77/84/70/1074778470.db2.gz	XUXLABBZASHEAA-KRWDZBQOSA-N	1	1	401.536	1.912	20	0		HDADMO
COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1OCC(N)=O	ZINC000030030298	1074779718	/nfs/dbraw/zinc/77/97/18/1074779718.db2.gz	JGHDDVIYKGPUPN-QGZVFWFLSA-N	1	1	413.474	1.697	20	0		HDADMO
COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1OCC(N)=O	ZINC000030030298	1074779725	/nfs/dbraw/zinc/77/97/25/1074779725.db2.gz	JGHDDVIYKGPUPN-QGZVFWFLSA-N	1	1	413.474	1.697	20	0		HDADMO
NS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1Cl	ZINC000675330317	1074803824	/nfs/dbraw/zinc/80/38/24/1074803824.db2.gz	UVUXSRQZJHCQBP-UHFFFAOYSA-N	1	1	415.943	1.752	20	0		HDADMO
Cc1cc(NC(=O)C2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@H+](C)C4)CC2)no1	ZINC000506481491	1074803884	/nfs/dbraw/zinc/80/38/84/1074803884.db2.gz	PJZSAIGPJHEGNB-UHFFFAOYSA-N	1	1	411.462	1.744	20	0		HDADMO
Cc1cc(NC(=O)C2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)CC2)no1	ZINC000506481491	1074803890	/nfs/dbraw/zinc/80/38/90/1074803890.db2.gz	PJZSAIGPJHEGNB-UHFFFAOYSA-N	1	1	411.462	1.744	20	0		HDADMO
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1	ZINC000675365124	1074814444	/nfs/dbraw/zinc/81/44/44/1074814444.db2.gz	WBWISPWAXBHLGF-LJQANCHMSA-N	1	1	402.539	1.372	20	0		HDADMO
Cc1cc(NC(=O)C2CCN(C(=O)c3cc4c(nc[nH+]c4N(C)C)n3C)CC2)no1	ZINC000554460921	1074816112	/nfs/dbraw/zinc/81/61/12/1074816112.db2.gz	TUEOYWIKOYDYKV-UHFFFAOYSA-N	1	1	411.466	1.822	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)no1	ZINC000480797366	1075113819	/nfs/dbraw/zinc/11/38/19/1075113819.db2.gz	FBHFQTBWUUCRIP-QGZVFWFLSA-N	1	1	403.527	1.720	20	0		HDADMO
CN(C(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000675379831	1075119163	/nfs/dbraw/zinc/11/91/63/1075119163.db2.gz	QRNSAMFAKXGBSJ-YOEHRIQHSA-N	1	1	422.888	1.396	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1	ZINC000670514070	1075119842	/nfs/dbraw/zinc/11/98/42/1075119842.db2.gz	LZOVKBCDBUEWCV-MRXNPFEDSA-N	1	1	401.429	1.591	20	0		HDADMO
COCc1nnc(-c2cccc(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1	ZINC000543624500	1075122282	/nfs/dbraw/zinc/12/22/82/1075122282.db2.gz	ZTZHOORSUHPNCD-MRXNPFEDSA-N	1	1	401.467	1.200	20	0		HDADMO
COc1cccc([C@H](O)C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc2ccccc2)c1	ZINC000766120271	1075123803	/nfs/dbraw/zinc/12/38/03/1075123803.db2.gz	LTXNBOZQYNNGMN-DYESRHJHSA-N	1	1	413.518	1.824	20	0		HDADMO
COc1cccc([C@H](O)C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc2ccccc2)c1	ZINC000766120271	1075123807	/nfs/dbraw/zinc/12/38/07/1075123807.db2.gz	LTXNBOZQYNNGMN-DYESRHJHSA-N	1	1	413.518	1.824	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1	ZINC000484217724	1075124688	/nfs/dbraw/zinc/12/46/88/1075124688.db2.gz	FMRSGKALSOGQMK-OAHLLOKOSA-N	1	1	404.902	1.766	20	0		HDADMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCCC[C@@H]2CNC(N)=O)cn1	ZINC000509244396	1075128229	/nfs/dbraw/zinc/12/82/29/1075128229.db2.gz	CJGRFMBKMMIPKR-NJYVYQBISA-N	1	1	424.549	1.685	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1)CN1CC[NH+](C)CC1	ZINC000675403611	1075128976	/nfs/dbraw/zinc/12/89/76/1075128976.db2.gz	NCMGPWXFQFCEMU-MSOLQXFVSA-N	1	1	412.538	1.431	20	0		HDADMO
COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)CN2CCOCC2)c1	ZINC000766122265	1075132645	/nfs/dbraw/zinc/13/26/45/1075132645.db2.gz	SLOZELQLFBIELP-GMAHTHKFSA-N	1	1	400.519	1.924	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCC(OCCCO)CC1	ZINC000670525224	1075146872	/nfs/dbraw/zinc/14/68/72/1075146872.db2.gz	KCEZGBQLEVCNCC-SFHVURJKSA-N	1	1	407.511	1.313	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000670525296	1075147062	/nfs/dbraw/zinc/14/70/62/1075147062.db2.gz	VBKHYLPJIFHVHV-QZTJIDSGSA-N	1	1	411.506	1.713	20	0		HDADMO
O=C(NCCCN1CCCCCC1=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1	ZINC000670525280	1075147232	/nfs/dbraw/zinc/14/72/32/1075147232.db2.gz	UDQIZNDQVPOVQM-SFHVURJKSA-N	1	1	418.538	1.832	20	0		HDADMO
COc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cn1	ZINC000509246428	1075148531	/nfs/dbraw/zinc/14/85/31/1075148531.db2.gz	HJPGLPAARZBLCE-OAHLLOKOSA-N	1	1	404.492	1.588	20	0		HDADMO
CN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCc2c1cnn2C	ZINC000670526722	1075148616	/nfs/dbraw/zinc/14/86/16/1075148616.db2.gz	UJDTVZYFTNBOLC-GOSISDBHSA-N	1	1	417.554	1.407	20	0		HDADMO
O=C(Cn1nnc(-c2ccccc2)n1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429346062	1075152639	/nfs/dbraw/zinc/15/26/39/1075152639.db2.gz	PDTQPPKGFKBSJL-FQEVSTJZSA-N	1	1	406.490	1.747	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000429347678	1075153250	/nfs/dbraw/zinc/15/32/50/1075153250.db2.gz	GKYJHDROUBYHKA-LLVKDONJSA-N	1	1	412.512	1.123	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000429347678	1075153253	/nfs/dbraw/zinc/15/32/53/1075153253.db2.gz	GKYJHDROUBYHKA-LLVKDONJSA-N	1	1	412.512	1.123	20	0		HDADMO
O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C(=O)N[C@@H]2C=CCCC2)ccc1F	ZINC000466680252	1075158965	/nfs/dbraw/zinc/15/89/65/1075158965.db2.gz	QTTHVHMLLWTCIM-OAHLLOKOSA-N	1	1	418.469	1.650	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC4CC4)nn2)C3)CC[N@H+]1C	ZINC001005707770	1075160696	/nfs/dbraw/zinc/16/06/96/1075160696.db2.gz	JGDYSZWIRYCTBS-DARIXABFSA-N	1	1	400.527	1.280	20	0		HDADMO
O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000490404788	1075167795	/nfs/dbraw/zinc/16/77/95/1075167795.db2.gz	CYUJGOVHQLEVGD-STQMWFEESA-N	1	1	422.411	1.968	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1	ZINC000675480668	1075171245	/nfs/dbraw/zinc/17/12/45/1075171245.db2.gz	SMYVKPDTTMWYDP-HXUWFJFHSA-N	1	1	422.595	1.584	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1	ZINC000675480668	1075171248	/nfs/dbraw/zinc/17/12/48/1075171248.db2.gz	SMYVKPDTTMWYDP-HXUWFJFHSA-N	1	1	422.595	1.584	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1	ZINC000675480668	1075171253	/nfs/dbraw/zinc/17/12/53/1075171253.db2.gz	SMYVKPDTTMWYDP-HXUWFJFHSA-N	1	1	422.595	1.584	20	0		HDADMO
CCNC(=O)N1CC[C@H](NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C1	ZINC000675482095	1075171816	/nfs/dbraw/zinc/17/18/16/1075171816.db2.gz	CGHGYMKQIUFCBU-INIZCTEOSA-N	1	1	411.510	1.097	20	0		HDADMO
CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H](C(=O)NCCOC)CC[C@@H]1C	ZINC000144424266	1075173281	/nfs/dbraw/zinc/17/32/81/1075173281.db2.gz	KGJIFANLCXYZCO-HOTGVXAUSA-N	1	1	405.495	1.665	20	0		HDADMO
CCOC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H](C(=O)NCCOC)CC[C@@H]1C	ZINC000144424266	1075173285	/nfs/dbraw/zinc/17/32/85/1075173285.db2.gz	KGJIFANLCXYZCO-HOTGVXAUSA-N	1	1	405.495	1.665	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1	ZINC000675497056	1075177379	/nfs/dbraw/zinc/17/73/79/1075177379.db2.gz	UPCSWFWEWFEPMM-RTBURBONSA-N	1	1	405.587	1.635	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1	ZINC000675497056	1075177380	/nfs/dbraw/zinc/17/73/80/1075177380.db2.gz	UPCSWFWEWFEPMM-RTBURBONSA-N	1	1	405.587	1.635	20	0		HDADMO
Cn1cc(-c2nn(C)cc2C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1	ZINC000429351921	1075179424	/nfs/dbraw/zinc/17/94/24/1075179424.db2.gz	UTKWEQLUVZHUKQ-LJQANCHMSA-N	1	1	408.506	1.842	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cccn2)C[N@H+]1Cc1ccccc1	ZINC000466683943	1075183212	/nfs/dbraw/zinc/18/32/12/1075183212.db2.gz	PTGZJKMXGAOLBM-SJLPKXTDSA-N	1	1	404.474	1.985	20	0		HDADMO
CC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675517608	1075184274	/nfs/dbraw/zinc/18/42/74/1075184274.db2.gz	NIPUQDSVTQFHAI-QZTJIDSGSA-N	1	1	411.568	1.500	20	0		HDADMO
CC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675517608	1075184276	/nfs/dbraw/zinc/18/42/76/1075184276.db2.gz	NIPUQDSVTQFHAI-QZTJIDSGSA-N	1	1	411.568	1.500	20	0		HDADMO
C[C@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC[N@H+](C2CCC2)C1	ZINC000429357541	1075188998	/nfs/dbraw/zinc/18/89/98/1075188998.db2.gz	ZVJJLVJSDRSBIJ-HNNXBMFYSA-N	1	1	404.540	1.372	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC(C)(C)NS(C)(=O)=O	ZINC000675533910	1075193159	/nfs/dbraw/zinc/19/31/59/1075193159.db2.gz	DHDAUAAUEDXMCY-VQFNDLOPSA-N	1	1	410.584	1.770	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)CC1	ZINC000675540743	1075197338	/nfs/dbraw/zinc/19/73/38/1075197338.db2.gz	GSPIADOEFJNUSK-LJQANCHMSA-N	1	1	412.538	1.509	20	0		HDADMO
C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766165362	1075200780	/nfs/dbraw/zinc/20/07/80/1075200780.db2.gz	FPGFRTOQBQYFLU-OFQRWUPVSA-N	1	1	403.570	1.546	20	0		HDADMO
C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000766165362	1075200783	/nfs/dbraw/zinc/20/07/83/1075200783.db2.gz	FPGFRTOQBQYFLU-OFQRWUPVSA-N	1	1	403.570	1.546	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1	ZINC000507593448	1075204927	/nfs/dbraw/zinc/20/49/27/1075204927.db2.gz	MUVYBXKUAONPGI-QFIPXVFZSA-N	1	1	411.506	1.593	20	0		HDADMO
Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000543635455	1075205863	/nfs/dbraw/zinc/20/58/63/1075205863.db2.gz	COEXGHUKGQVREU-SJLPKXTDSA-N	1	1	404.536	1.672	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(=O)n(C)n1	ZINC001129023638	1075206541	/nfs/dbraw/zinc/20/65/41/1075206541.db2.gz	ULKUBYRGXIJULQ-GFCCVEGCSA-N	1	1	420.311	1.935	20	0		HDADMO
Cc1c(C(=O)N[C@H](C)CCS(C)(=O)=O)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000675572961	1075208922	/nfs/dbraw/zinc/20/89/22/1075208922.db2.gz	FCGDAQFOHBKYTM-CYBMUJFWSA-N	1	1	405.524	1.117	20	0		HDADMO
NS(=O)(=O)CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000675574995	1075209707	/nfs/dbraw/zinc/20/97/07/1075209707.db2.gz	JCKWHORKRSNGPE-UHFFFAOYSA-N	1	1	419.345	1.001	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)no1	ZINC000461561215	1075210934	/nfs/dbraw/zinc/21/09/34/1075210934.db2.gz	MMEXSARTNCPXFN-HZPDHXFCSA-N	1	1	424.567	2.193	20	0		HDADMO
COCCn1ccc(NC(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1	ZINC000519199170	1075211904	/nfs/dbraw/zinc/21/19/04/1075211904.db2.gz	QXGRIYCGMPNZHV-UHFFFAOYSA-N	1	1	400.527	1.811	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675580745	1075211979	/nfs/dbraw/zinc/21/19/79/1075211979.db2.gz	SDWQBMNZJONDDX-WOJBJXKFSA-N	1	1	405.587	1.589	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000675583487	1075212878	/nfs/dbraw/zinc/21/28/78/1075212878.db2.gz	JVSZBAVXLIRWSS-ZDUSSCGKSA-N	1	1	401.467	1.981	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000675583486	1075212900	/nfs/dbraw/zinc/21/29/00/1075212900.db2.gz	JVSZBAVXLIRWSS-CYBMUJFWSA-N	1	1	401.467	1.981	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)c2cccs2)CC1	ZINC000675584583	1075214543	/nfs/dbraw/zinc/21/45/43/1075214543.db2.gz	BZDSJAQXYLSMAC-QGZVFWFLSA-N	1	1	416.551	1.398	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[C@H](c2ccccc2)C1	ZINC000675586264	1075215139	/nfs/dbraw/zinc/21/51/39/1075215139.db2.gz	OYVFQDOCFDBOII-NRFANRHFSA-N	1	1	424.549	1.727	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[C@H](c2ccccc2)C1	ZINC000675586264	1075215144	/nfs/dbraw/zinc/21/51/44/1075215144.db2.gz	OYVFQDOCFDBOII-NRFANRHFSA-N	1	1	424.549	1.727	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[C@H](c2ccccc2)C1	ZINC000675586264	1075215150	/nfs/dbraw/zinc/21/51/50/1075215150.db2.gz	OYVFQDOCFDBOII-NRFANRHFSA-N	1	1	424.549	1.727	20	0		HDADMO
O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000675587191	1075216287	/nfs/dbraw/zinc/21/62/87/1075216287.db2.gz	YCHNHZZWIHPQCZ-UYAOXDASSA-N	1	1	411.506	1.781	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@@H+]1CCc2sccc2C1	ZINC000675586581	1075217220	/nfs/dbraw/zinc/21/72/20/1075217220.db2.gz	CBJXFXGAXKOCFH-RHSMWYFYSA-N	1	1	417.535	1.625	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@H+]1CCc2sccc2C1	ZINC000675586581	1075217224	/nfs/dbraw/zinc/21/72/24/1075217224.db2.gz	CBJXFXGAXKOCFH-RHSMWYFYSA-N	1	1	417.535	1.625	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466688213	1075221589	/nfs/dbraw/zinc/22/15/89/1075221589.db2.gz	FLRXQDYBMMJCIT-MAUKXSAKSA-N	1	1	410.474	1.268	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccn(CC(F)F)n3)CC2)CC1	ZINC000483516172	1075230799	/nfs/dbraw/zinc/23/07/99/1075230799.db2.gz	PGJZQICEWFFWAC-UHFFFAOYSA-N	1	1	412.485	1.946	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1	ZINC000675594400	1075231456	/nfs/dbraw/zinc/23/14/56/1075231456.db2.gz	HOYJSCNOKCUDJP-KPFFTGBYSA-N	1	1	411.506	1.952	20	0		HDADMO
O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000675594182	1075231475	/nfs/dbraw/zinc/23/14/75/1075231475.db2.gz	QPSLCSFSZZIQSY-UXHICEINSA-N	1	1	411.506	1.781	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)CC1	ZINC000502859619	1075231692	/nfs/dbraw/zinc/23/16/92/1075231692.db2.gz	HDUNSYKNTBMTCB-UHFFFAOYSA-N	1	1	420.558	1.761	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675594688	1075233383	/nfs/dbraw/zinc/23/33/83/1075233383.db2.gz	BJKYUZORDOVYRC-UZLBHIALSA-N	1	1	411.506	1.637	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675594688	1075233384	/nfs/dbraw/zinc/23/33/84/1075233384.db2.gz	BJKYUZORDOVYRC-UZLBHIALSA-N	1	1	411.506	1.637	20	0		HDADMO
CC[NH+]1CCN(c2ccc(C(=O)N(C)CC(=O)Nc3cc(C)on3)cc2F)CC1	ZINC000522202582	1075234342	/nfs/dbraw/zinc/23/43/42/1075234342.db2.gz	RQXJPCCWWHORPP-UHFFFAOYSA-N	1	1	403.458	1.975	20	0		HDADMO
COCCn1c(N)c(C(=O)C[N@H+]2CCc3ccccc3[C@H]2C(C)C)c(=O)[nH]c1=O	ZINC000675663584	1075250986	/nfs/dbraw/zinc/25/09/86/1075250986.db2.gz	BMIUFNWXASHTJB-GOSISDBHSA-N	1	1	400.479	1.616	20	0		HDADMO
COc1cc(Br)c(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1OC	ZINC000429372158	1075255226	/nfs/dbraw/zinc/25/52/26/1075255226.db2.gz	LTPFBAAADISJQX-LLVKDONJSA-N	1	1	402.289	1.997	20	0		HDADMO
COc1cc(Br)c(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1OC	ZINC000429372158	1075255230	/nfs/dbraw/zinc/25/52/30/1075255230.db2.gz	LTPFBAAADISJQX-LLVKDONJSA-N	1	1	402.289	1.997	20	0		HDADMO
C[C@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@@H+](C2CCC2)C1	ZINC000429372760	1075259685	/nfs/dbraw/zinc/25/96/85/1075259685.db2.gz	OHPAPBJHEOHYGT-FQEVSTJZSA-N	1	1	406.615	1.944	20	0		HDADMO
C[C@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@H+](C2CCC2)C1	ZINC000429372760	1075259689	/nfs/dbraw/zinc/25/96/89/1075259689.db2.gz	OHPAPBJHEOHYGT-FQEVSTJZSA-N	1	1	406.615	1.944	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nc3c(s2)COCC3)C[N@H+]1Cc1ccccc1	ZINC000466695357	1075261976	/nfs/dbraw/zinc/26/19/76/1075261976.db2.gz	ITGGJMAEPMMKRI-DZGCQCFKSA-N	1	1	400.504	1.934	20	0		HDADMO
C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000509364414	1075262558	/nfs/dbraw/zinc/26/25/58/1075262558.db2.gz	JDMSSZYMTIOPND-MRXNPFEDSA-N	1	1	402.539	1.883	20	0		HDADMO
C[C@@H]1CN(CCCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@H](C)O1	ZINC000543644277	1075264842	/nfs/dbraw/zinc/26/48/42/1075264842.db2.gz	IFNXMBRWLXKHMQ-BGYRXZFFSA-N	1	1	409.619	1.545	20	0		HDADMO
Cc1cc2cccnc2c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1	ZINC000675760797	1075266386	/nfs/dbraw/zinc/26/63/86/1075266386.db2.gz	WJMZYKGILKLYEU-QGZVFWFLSA-N	1	1	402.520	1.470	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1C(C)C	ZINC000429374936	1075266441	/nfs/dbraw/zinc/26/64/41/1075266441.db2.gz	AVBUWRASSSJINR-RYRKJORJSA-N	1	1	405.495	1.472	20	0		HDADMO
CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)N1CCNC(=O)C1	ZINC000429379758	1075270699	/nfs/dbraw/zinc/27/06/99/1075270699.db2.gz	AROIDOJNGHQOEB-OAQYLSRUSA-N	1	1	400.567	1.610	20	0		HDADMO
O=C(c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000675786010	1075271419	/nfs/dbraw/zinc/27/14/19/1075271419.db2.gz	KYOCUAZSYDMKCP-CVEARBPZSA-N	1	1	412.412	1.975	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)s1	ZINC000572401694	1075271897	/nfs/dbraw/zinc/27/18/97/1075271897.db2.gz	HBOKFIXLOIKPLD-HIFRSBDPSA-N	1	1	403.508	2.428	20	0		HDADMO
C[C@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC[N@@H+](Cc2ccccc2)C1	ZINC001129063910	1075272318	/nfs/dbraw/zinc/27/23/18/1075272318.db2.gz	LYZHUUGQWHWXLA-MRXNPFEDSA-N	1	1	421.501	1.226	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3Cc4ccccc4C3)n2)c1C	ZINC000434582956	1075279000	/nfs/dbraw/zinc/27/90/00/1075279000.db2.gz	XTVOMRKVPGBYRE-UHFFFAOYSA-N	1	1	406.446	1.828	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cn3cnc4c3CCCC4)c2)C1	ZINC000543647399	1075280377	/nfs/dbraw/zinc/28/03/77/1075280377.db2.gz	WARFYLWIGCJQBD-IBGZPJMESA-N	1	1	409.534	1.776	20	0		HDADMO
O=S1(=O)CCC[C@H]1CNc1cc(NC[C@@H]2CCCS2(=O)=O)c2ccncc2[nH+]1	ZINC000553150185	1075287652	/nfs/dbraw/zinc/28/76/52/1075287652.db2.gz	YUHTWERAZGPZBF-KBPBESRZSA-N	1	1	424.548	1.608	20	0		HDADMO
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000675895867	1075287749	/nfs/dbraw/zinc/28/77/49/1075287749.db2.gz	JQITYTYARQRXDD-SLFFLAALSA-N	1	1	405.564	1.924	20	0		HDADMO
COc1ccc(C)cc1NC(=O)CNC(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429383393	1075294652	/nfs/dbraw/zinc/29/46/52/1075294652.db2.gz	YMUVMJPTHKWZEY-QGZVFWFLSA-N	1	1	402.539	1.865	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C[N@H+]1Cc1ccccc1	ZINC000466706663	1075295280	/nfs/dbraw/zinc/29/52/80/1075295280.db2.gz	QZXZWRASICWPPB-YJBOKZPZSA-N	1	1	409.490	1.501	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C[N@H+]1Cc1ccccc1	ZINC000466706462	1075299698	/nfs/dbraw/zinc/29/96/98/1075299698.db2.gz	WDGGUZRTCMGAHO-VQIMIIECSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1nc(Cc2ccccc2)no1	ZINC000429384492	1075301814	/nfs/dbraw/zinc/30/18/14/1075301814.db2.gz	WBGPFEBCZBKAQQ-QRWLVFNGSA-N	1	1	403.483	1.104	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)[nH+]c1	ZINC000480520296	1075302153	/nfs/dbraw/zinc/30/21/53/1075302153.db2.gz	RVNWRGYYUVVTOW-MRXNPFEDSA-N	1	1	409.556	1.695	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)C2)nc(C)[nH+]1	ZINC000731292782	1075303359	/nfs/dbraw/zinc/30/33/59/1075303359.db2.gz	GJQPDARFCDJJPC-PKOBYXMFSA-N	1	1	422.489	1.726	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCc2cnc(N3CCOCC3)c(F)c2)[nH+]c1	ZINC000463151739	1075304483	/nfs/dbraw/zinc/30/44/83/1075304483.db2.gz	MOZMBUZWZOERGP-UHFFFAOYSA-N	1	1	402.474	2.062	20	0		HDADMO
CCOc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)nc2nc(C(F)(F)F)nn21	ZINC000675948796	1075305064	/nfs/dbraw/zinc/30/50/64/1075305064.db2.gz	INSMNXJMUMZTCS-CQSZACIVSA-N	1	1	414.432	1.838	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)Cc2ccc(Br)cc2)CC1	ZINC000675929576	1075305846	/nfs/dbraw/zinc/30/58/46/1075305846.db2.gz	RHIDMUUEBYBBGK-UHFFFAOYSA-N	1	1	411.344	1.113	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)Cc2ccc(Br)cc2)CC1	ZINC000675929576	1075305850	/nfs/dbraw/zinc/30/58/50/1075305850.db2.gz	RHIDMUUEBYBBGK-UHFFFAOYSA-N	1	1	411.344	1.113	20	0		HDADMO
CNS(=O)(=O)c1cc(NC(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)ccc1C	ZINC000675972034	1075310563	/nfs/dbraw/zinc/31/05/63/1075310563.db2.gz	FXTKGLORYYXVGQ-UHFFFAOYSA-N	1	1	418.519	1.849	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1	ZINC000675952725	1075313078	/nfs/dbraw/zinc/31/30/78/1075313078.db2.gz	IOALPYPFPZYONN-INIZCTEOSA-N	1	1	413.360	1.808	20	0		HDADMO
CCOC(=O)N1CCC[C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000731350929	1075314312	/nfs/dbraw/zinc/31/43/12/1075314312.db2.gz	GHFOTFJRAXKIOT-SFHVURJKSA-N	1	1	408.543	1.258	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cccn3Cc3ccncc3)CC2)CC1	ZINC000731351390	1075315712	/nfs/dbraw/zinc/31/57/12/1075315712.db2.gz	ONDPVVIMEBALMA-UHFFFAOYSA-N	1	1	409.534	1.948	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](CC)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C	ZINC000804221036	1075316811	/nfs/dbraw/zinc/31/68/11/1075316811.db2.gz	GSCBJJDVZUKNHS-DOTOQJQBSA-N	1	1	410.559	1.739	20	0		HDADMO
COc1cccc2c1OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000675975998	1075317978	/nfs/dbraw/zinc/31/79/78/1075317978.db2.gz	CNSBWOQMTUMQAL-DLBZAZTESA-N	1	1	402.495	1.467	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1	ZINC000675981318	1075318815	/nfs/dbraw/zinc/31/88/15/1075318815.db2.gz	KQMPUINXOYLSSZ-APWZRJJASA-N	1	1	421.492	1.492	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)c1	ZINC000675983621	1075319160	/nfs/dbraw/zinc/31/91/60/1075319160.db2.gz	IVVBRXSPAUNFKL-QGZVFWFLSA-N	1	1	408.506	1.599	20	0		HDADMO
Cn1ccnc1C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000675996170	1075320138	/nfs/dbraw/zinc/32/01/38/1075320138.db2.gz	GRKQKMVLJZVGKW-VQTJNVASSA-N	1	1	424.549	1.652	20	0		HDADMO
CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1	ZINC000731359919	1075320661	/nfs/dbraw/zinc/32/06/61/1075320661.db2.gz	SKZZJYNAALSGBK-UHFFFAOYSA-N	1	1	420.539	1.531	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000543313656	1075322525	/nfs/dbraw/zinc/32/25/25/1075322525.db2.gz	KEPKWGYUGRYRSW-WMZOPIPTSA-N	1	1	415.494	1.601	20	0		HDADMO
O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CCCCC2)C1=O	ZINC000676020106	1075326315	/nfs/dbraw/zinc/32/63/15/1075326315.db2.gz	HQXYPYZXWWZXPI-OFNKIYASSA-N	1	1	414.550	1.856	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1	ZINC000671686120	1075328067	/nfs/dbraw/zinc/32/80/67/1075328067.db2.gz	MYZZHKBVYRVBDD-OAHLLOKOSA-N	1	1	420.311	1.651	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000676034427	1075331266	/nfs/dbraw/zinc/33/12/66/1075331266.db2.gz	FDLBONYEETYECR-PMACEKPBSA-N	1	1	405.587	1.732	20	0		HDADMO
C[C@@H]1C[C@@H](CCNC(=O)C(=O)NCCOc2cccnc2)C[N@H+]1Cc1ccccc1	ZINC000804078049	1075338394	/nfs/dbraw/zinc/33/83/94/1075338394.db2.gz	UEVMNATTYOJAJG-UYAOXDASSA-N	1	1	410.518	1.994	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1	ZINC000676044622	1075339475	/nfs/dbraw/zinc/33/94/75/1075339475.db2.gz	FPBCFHUNHFWEMT-NRFANRHFSA-N	1	1	415.534	1.937	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(COC2CCOCC2)c1	ZINC000676050876	1075341328	/nfs/dbraw/zinc/34/13/28/1075341328.db2.gz	CPXQNXYSGXAVPZ-OAQYLSRUSA-N	1	1	417.550	1.519	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H](C(=O)OC)C1	ZINC000509381774	1075352091	/nfs/dbraw/zinc/35/20/91/1075352091.db2.gz	ZGWSTUDWJVBDBV-MOPGFXCFSA-N	1	1	417.506	1.001	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cn1	ZINC000676092137	1075353206	/nfs/dbraw/zinc/35/32/06/1075353206.db2.gz	YRESXKAUXONUOU-UHFFFAOYSA-N	1	1	416.501	1.303	20	0		HDADMO
O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676094556	1075356172	/nfs/dbraw/zinc/35/61/72/1075356172.db2.gz	JRFIPQFFKBSDIQ-LJQANCHMSA-N	1	1	418.501	1.887	20	0		HDADMO
O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676094556	1075356180	/nfs/dbraw/zinc/35/61/80/1075356180.db2.gz	JRFIPQFFKBSDIQ-LJQANCHMSA-N	1	1	418.501	1.887	20	0		HDADMO
COC(=O)COc1ccc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000731470081	1075358454	/nfs/dbraw/zinc/35/84/54/1075358454.db2.gz	MXNUWPWOECQLGX-MRXNPFEDSA-N	1	1	404.488	1.920	20	0		HDADMO
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@@H](C)C1	ZINC000676096448	1075359125	/nfs/dbraw/zinc/35/91/25/1075359125.db2.gz	LMSOHIHRGAMUJO-QFBILLFUSA-N	1	1	414.510	1.459	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@@H](C)C1	ZINC000676096448	1075359133	/nfs/dbraw/zinc/35/91/33/1075359133.db2.gz	LMSOHIHRGAMUJO-QFBILLFUSA-N	1	1	414.510	1.459	20	0		HDADMO
COc1cc(NC(=O)CC[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc(OC)c1OC	ZINC000429396227	1075361520	/nfs/dbraw/zinc/36/15/20/1075361520.db2.gz	BBKJZPQAWKIFFF-ZDUSSCGKSA-N	1	1	400.497	1.408	20	0		HDADMO
C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1	ZINC000676098841	1075363125	/nfs/dbraw/zinc/36/31/25/1075363125.db2.gz	XIGZCCSQGODXRR-UHFFFAOYSA-N	1	1	400.483	1.165	20	0		HDADMO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731530690	1075377094	/nfs/dbraw/zinc/37/70/94/1075377094.db2.gz	IFKYRACDRHFWTJ-DOTOQJQBSA-N	1	1	418.494	1.711	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731531658	1075377474	/nfs/dbraw/zinc/37/74/74/1075377474.db2.gz	FPYVDHVUCWKWRA-JKSUJKDBSA-N	1	1	404.467	1.463	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[N@H+]1C1CC1	ZINC000804088253	1075380238	/nfs/dbraw/zinc/38/02/38/1075380238.db2.gz	BIZQUHKIQZONGC-FPCVCCKLSA-N	1	1	408.543	1.680	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000466713372	1075383675	/nfs/dbraw/zinc/38/36/75/1075383675.db2.gz	NHWVSGXGPOOAIN-ZBFHGGJFSA-N	1	1	421.519	1.211	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000466713372	1075383678	/nfs/dbraw/zinc/38/36/78/1075383678.db2.gz	NHWVSGXGPOOAIN-ZBFHGGJFSA-N	1	1	421.519	1.211	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000676146768	1075398178	/nfs/dbraw/zinc/39/81/78/1075398178.db2.gz	GJIVDBULGMSDNK-QGZVFWFLSA-N	1	1	415.567	1.864	20	0		HDADMO
O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676153677	1075403577	/nfs/dbraw/zinc/40/35/77/1075403577.db2.gz	SJHBHRDHKVKCFX-WIYYLYMNSA-N	1	1	410.518	1.958	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)NC(C)(C)CCN3CC[NH+](C)CC3)n2)cc1	ZINC000429977752	1075409519	/nfs/dbraw/zinc/40/95/19/1075409519.db2.gz	BZFPLURPPHXWMC-UHFFFAOYSA-N	1	1	414.554	2.478	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H](N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O	ZINC000466719951	1075419730	/nfs/dbraw/zinc/41/97/30/1075419730.db2.gz	SXEMFNSCXQBBGG-SJLPKXTDSA-N	1	1	420.579	1.742	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000434557252	1075426044	/nfs/dbraw/zinc/42/60/44/1075426044.db2.gz	OKHZBJUYTKQYNV-HNNXBMFYSA-N	1	1	400.458	1.786	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1	ZINC000731655669	1075439885	/nfs/dbraw/zinc/43/98/85/1075439885.db2.gz	XDMKQPPIOADVOO-IBGZPJMESA-N	1	1	400.523	1.350	20	0		HDADMO
CC[C@@H](C)n1nc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C	ZINC000487684636	1075442240	/nfs/dbraw/zinc/44/22/40/1075442240.db2.gz	MOJBUDVZJBTSOQ-DNVCBOLYSA-N	1	1	413.522	1.636	20	0		HDADMO
C[C@@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN(C)CCO1	ZINC000676243049	1075444048	/nfs/dbraw/zinc/44/40/48/1075444048.db2.gz	GVVAWQQKJJTSNI-IFMALSPDSA-N	1	1	417.598	1.603	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000731642897	1075444523	/nfs/dbraw/zinc/44/45/23/1075444523.db2.gz	KXXVDBPJWOYTLV-MRXNPFEDSA-N	1	1	407.458	1.497	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676244182	1075445926	/nfs/dbraw/zinc/44/59/26/1075445926.db2.gz	RBBGLXQKHKXJJR-SNRMKQJTSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676244182	1075445929	/nfs/dbraw/zinc/44/59/29/1075445929.db2.gz	RBBGLXQKHKXJJR-SNRMKQJTSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676247992	1075448099	/nfs/dbraw/zinc/44/80/99/1075448099.db2.gz	KCUAEMLDQYENRE-HNAYVOBHSA-N	1	1	406.502	1.583	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676247992	1075448105	/nfs/dbraw/zinc/44/81/05/1075448105.db2.gz	KCUAEMLDQYENRE-HNAYVOBHSA-N	1	1	406.502	1.583	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1	ZINC000731685769	1075448969	/nfs/dbraw/zinc/44/89/69/1075448969.db2.gz	AKHMNFNPYOYBCC-UHFFFAOYSA-N	1	1	422.595	1.331	20	0		HDADMO
C[NH+]1CCN(CC2CCN(C(=O)c3nn(-c4ccc(F)cc4)ccc3=O)CC2)CC1	ZINC000731687524	1075449416	/nfs/dbraw/zinc/44/94/16/1075449416.db2.gz	VDWGRUMWYBHANG-UHFFFAOYSA-N	1	1	413.497	1.471	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257097	1075451144	/nfs/dbraw/zinc/45/11/44/1075451144.db2.gz	MMCJUHGVDGAFGL-KBXCAEBGSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257097	1075451149	/nfs/dbraw/zinc/45/11/49/1075451149.db2.gz	MMCJUHGVDGAFGL-KBXCAEBGSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257010	1075451160	/nfs/dbraw/zinc/45/11/60/1075451160.db2.gz	WWRLQYVBHLWEBA-QAPCUYQASA-N	1	1	410.478	1.385	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257010	1075451165	/nfs/dbraw/zinc/45/11/65/1075451165.db2.gz	WWRLQYVBHLWEBA-QAPCUYQASA-N	1	1	410.478	1.385	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257009	1075451211	/nfs/dbraw/zinc/45/12/11/1075451211.db2.gz	WWRLQYVBHLWEBA-MAUKXSAKSA-N	1	1	410.478	1.385	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257009	1075451216	/nfs/dbraw/zinc/45/12/16/1075451216.db2.gz	WWRLQYVBHLWEBA-MAUKXSAKSA-N	1	1	410.478	1.385	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257870	1075452659	/nfs/dbraw/zinc/45/26/59/1075452659.db2.gz	MWJVNKZHZJWBOL-FOIQADDNSA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257870	1075452660	/nfs/dbraw/zinc/45/26/60/1075452660.db2.gz	MWJVNKZHZJWBOL-FOIQADDNSA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257974	1075452692	/nfs/dbraw/zinc/45/26/92/1075452692.db2.gz	BBXIKTIUHQIIKF-APWZRJJASA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257974	1075452695	/nfs/dbraw/zinc/45/26/95/1075452695.db2.gz	BBXIKTIUHQIIKF-APWZRJJASA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676257374	1075453199	/nfs/dbraw/zinc/45/31/99/1075453199.db2.gz	SICNUJPAFZAGKX-YWZLYKJASA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257374	1075453201	/nfs/dbraw/zinc/45/32/01/1075453201.db2.gz	SICNUJPAFZAGKX-YWZLYKJASA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258232	1075453351	/nfs/dbraw/zinc/45/33/51/1075453351.db2.gz	GCWQXELXCWGVMZ-GJYPPUQNSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258232	1075453352	/nfs/dbraw/zinc/45/33/52/1075453352.db2.gz	GCWQXELXCWGVMZ-GJYPPUQNSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258274	1075453886	/nfs/dbraw/zinc/45/38/86/1075453886.db2.gz	GOKISHDJTPDYKU-RDTXWAMCSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258274	1075453889	/nfs/dbraw/zinc/45/38/89/1075453889.db2.gz	GOKISHDJTPDYKU-RDTXWAMCSA-N	1	1	423.560	1.676	20	0		HDADMO
CCOCCS(=O)(=O)Oc1ccc(Cl)cc1C(=O)N1CC[NH+](CC)CC1	ZINC000731672437	1075456403	/nfs/dbraw/zinc/45/64/03/1075456403.db2.gz	ZAKOWHBZNTZZES-UHFFFAOYSA-N	1	1	404.916	1.863	20	0		HDADMO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676260874	1075458241	/nfs/dbraw/zinc/45/82/41/1075458241.db2.gz	LMVNNVJPXDPKFI-KBXCAEBGSA-N	1	1	406.483	1.008	20	0		HDADMO
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676260874	1075458245	/nfs/dbraw/zinc/45/82/45/1075458245.db2.gz	LMVNNVJPXDPKFI-KBXCAEBGSA-N	1	1	406.483	1.008	20	0		HDADMO
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262198	1075460785	/nfs/dbraw/zinc/46/07/85/1075460785.db2.gz	WCHRBECWXUBPLK-XLIONFOSSA-N	1	1	423.579	1.629	20	0		HDADMO
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262198	1075460788	/nfs/dbraw/zinc/46/07/88/1075460788.db2.gz	WCHRBECWXUBPLK-XLIONFOSSA-N	1	1	423.579	1.629	20	0		HDADMO
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676262262	1075461219	/nfs/dbraw/zinc/46/12/19/1075461219.db2.gz	WXQAKHMQIQCFOP-GARJFASQSA-N	1	1	404.330	1.464	20	0		HDADMO
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676262262	1075461221	/nfs/dbraw/zinc/46/12/21/1075461221.db2.gz	WXQAKHMQIQCFOP-GARJFASQSA-N	1	1	404.330	1.464	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262769	1075461261	/nfs/dbraw/zinc/46/12/61/1075461261.db2.gz	LSBFPYMOKLHTKX-LESCRADOSA-N	1	1	411.524	1.480	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262769	1075461263	/nfs/dbraw/zinc/46/12/63/1075461263.db2.gz	LSBFPYMOKLHTKX-LESCRADOSA-N	1	1	411.524	1.480	20	0		HDADMO
COc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676262478	1075461600	/nfs/dbraw/zinc/46/16/00/1075461600.db2.gz	ZNFRWJURXPZKJM-XJKSGUPXSA-N	1	1	413.540	1.221	20	0		HDADMO
COc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676262478	1075461603	/nfs/dbraw/zinc/46/16/03/1075461603.db2.gz	ZNFRWJURXPZKJM-XJKSGUPXSA-N	1	1	413.540	1.221	20	0		HDADMO
Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000676262470	1075461773	/nfs/dbraw/zinc/46/17/73/1075461773.db2.gz	ZLSKHVFBZQDZGZ-UONOGXRCSA-N	1	1	404.536	1.942	20	0		HDADMO
Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000676262470	1075461777	/nfs/dbraw/zinc/46/17/77/1075461777.db2.gz	ZLSKHVFBZQDZGZ-UONOGXRCSA-N	1	1	404.536	1.942	20	0		HDADMO
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)C(=O)NCC[NH+]1CCSCC1	ZINC000472414469	1075462905	/nfs/dbraw/zinc/46/29/05/1075462905.db2.gz	PSCCOOIGFCWZDZ-MRXNPFEDSA-N	1	1	401.536	1.904	20	0		HDADMO
C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248778	1075466071	/nfs/dbraw/zinc/46/60/71/1075466071.db2.gz	HYEHOJJTXUPOKO-WFASDCNBSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248778	1075466076	/nfs/dbraw/zinc/46/60/76/1075466076.db2.gz	HYEHOJJTXUPOKO-WFASDCNBSA-N	1	1	413.316	1.796	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000429411084	1075466915	/nfs/dbraw/zinc/46/69/15/1075466915.db2.gz	SOYIGRNFWSHVGL-SFHVURJKSA-N	1	1	408.930	1.934	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250739	1075467810	/nfs/dbraw/zinc/46/78/10/1075467810.db2.gz	IVXZYOLAXJASQL-QUCCMNQESA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250739	1075467814	/nfs/dbraw/zinc/46/78/14/1075467814.db2.gz	IVXZYOLAXJASQL-QUCCMNQESA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676250706	1075467871	/nfs/dbraw/zinc/46/78/71/1075467871.db2.gz	IQEWGCIKZIDRCK-CRAIPNDOSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250706	1075467874	/nfs/dbraw/zinc/46/78/74/1075467874.db2.gz	IQEWGCIKZIDRCK-CRAIPNDOSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250635	1075467949	/nfs/dbraw/zinc/46/79/49/1075467949.db2.gz	HLMJZTIMDXWOQP-LPHOPBHVSA-N	1	1	406.502	1.331	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250635	1075467951	/nfs/dbraw/zinc/46/79/51/1075467951.db2.gz	HLMJZTIMDXWOQP-LPHOPBHVSA-N	1	1	406.502	1.331	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252252	1075469438	/nfs/dbraw/zinc/46/94/38/1075469438.db2.gz	QTEVEYORHRWLKX-AZUAARDMSA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252252	1075469446	/nfs/dbraw/zinc/46/94/46/1075469446.db2.gz	QTEVEYORHRWLKX-AZUAARDMSA-N	1	1	402.539	1.582	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676253209	1075471044	/nfs/dbraw/zinc/47/10/44/1075471044.db2.gz	ZHJTVJQZCCIJLF-QZTJIDSGSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676253209	1075471052	/nfs/dbraw/zinc/47/10/52/1075471052.db2.gz	ZHJTVJQZCCIJLF-QZTJIDSGSA-N	1	1	424.567	1.038	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676253195	1075471175	/nfs/dbraw/zinc/47/11/75/1075471175.db2.gz	ZELHGYDCSLWWKF-JXFKEZNVSA-N	1	1	404.511	1.004	20	0		HDADMO
C[C@H](NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676253195	1075471178	/nfs/dbraw/zinc/47/11/78/1075471178.db2.gz	ZELHGYDCSLWWKF-JXFKEZNVSA-N	1	1	404.511	1.004	20	0		HDADMO
COc1cccc(CNC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)c1	ZINC000434657567	1075472319	/nfs/dbraw/zinc/47/23/19/1075472319.db2.gz	UCURTGFVQPZLJH-UHFFFAOYSA-N	1	1	424.461	1.610	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1C	ZINC000676255043	1075472545	/nfs/dbraw/zinc/47/25/45/1075472545.db2.gz	RMUOUEHWCOZPFA-RDJZCZTQSA-N	1	1	412.556	1.866	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1C	ZINC000676255043	1075472546	/nfs/dbraw/zinc/47/25/46/1075472546.db2.gz	RMUOUEHWCOZPFA-RDJZCZTQSA-N	1	1	412.556	1.866	20	0		HDADMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000551907107	1075473956	/nfs/dbraw/zinc/47/39/56/1075473956.db2.gz	PCLGMIKIWSWXRR-GFCCVEGCSA-N	1	1	410.400	1.777	20	0		HDADMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000551907107	1075473958	/nfs/dbraw/zinc/47/39/58/1075473958.db2.gz	PCLGMIKIWSWXRR-GFCCVEGCSA-N	1	1	410.400	1.777	20	0		HDADMO
CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1	ZINC000676278127	1075476099	/nfs/dbraw/zinc/47/60/99/1075476099.db2.gz	DODOCSZNKFLWSX-NHYWBVRUSA-N	1	1	421.885	1.726	20	0		HDADMO
CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1	ZINC000676278127	1075476106	/nfs/dbraw/zinc/47/61/06/1075476106.db2.gz	DODOCSZNKFLWSX-NHYWBVRUSA-N	1	1	421.885	1.726	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1	ZINC000676278158	1075476378	/nfs/dbraw/zinc/47/63/78/1075476378.db2.gz	FFAREGTXEMTSMO-DYVFJYSZSA-N	1	1	413.478	1.696	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1	ZINC000676278158	1075476382	/nfs/dbraw/zinc/47/63/82/1075476382.db2.gz	FFAREGTXEMTSMO-DYVFJYSZSA-N	1	1	413.478	1.696	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277968	1075476983	/nfs/dbraw/zinc/47/69/83/1075476983.db2.gz	CSHVIYBFNVPLFH-UZLBHIALSA-N	1	1	424.501	1.737	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277968	1075476985	/nfs/dbraw/zinc/47/69/85/1075476985.db2.gz	CSHVIYBFNVPLFH-UZLBHIALSA-N	1	1	424.501	1.737	20	0		HDADMO
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676277608	1075477492	/nfs/dbraw/zinc/47/74/92/1075477492.db2.gz	AWDRRVVXQAYWRH-MAUKXSAKSA-N	1	1	404.511	1.155	20	0		HDADMO
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676277608	1075477497	/nfs/dbraw/zinc/47/74/97/1075477497.db2.gz	AWDRRVVXQAYWRH-MAUKXSAKSA-N	1	1	404.511	1.155	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278847	1075479890	/nfs/dbraw/zinc/47/98/90/1075479890.db2.gz	LDNICLCEJBFOGW-LPHOPBHVSA-N	1	1	416.522	1.333	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278847	1075479893	/nfs/dbraw/zinc/47/98/93/1075479893.db2.gz	LDNICLCEJBFOGW-LPHOPBHVSA-N	1	1	416.522	1.333	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Br	ZINC000676279806	1075482578	/nfs/dbraw/zinc/48/25/78/1075482578.db2.gz	QIJVFOLBMALSAI-YGRLFVJLSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Br	ZINC000676279806	1075482580	/nfs/dbraw/zinc/48/25/80/1075482580.db2.gz	QIJVFOLBMALSAI-YGRLFVJLSA-N	1	1	400.273	1.232	20	0		HDADMO
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676279706	1075483388	/nfs/dbraw/zinc/48/33/88/1075483388.db2.gz	QIPWSWRYAHZCAO-WMLDXEAASA-N	1	1	404.511	1.753	20	0		HDADMO
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676279706	1075483392	/nfs/dbraw/zinc/48/33/92/1075483392.db2.gz	QIPWSWRYAHZCAO-WMLDXEAASA-N	1	1	404.511	1.753	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280218	1075484920	/nfs/dbraw/zinc/48/49/20/1075484920.db2.gz	IITYTBSGRXWIGV-SUMWQHHRSA-N	1	1	413.503	1.837	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280218	1075484925	/nfs/dbraw/zinc/48/49/25/1075484925.db2.gz	IITYTBSGRXWIGV-SUMWQHHRSA-N	1	1	413.503	1.837	20	0		HDADMO
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676280872	1075485351	/nfs/dbraw/zinc/48/53/51/1075485351.db2.gz	ULKMKWMZSMATBM-LRDDRELGSA-N	1	1	410.902	1.254	20	0		HDADMO
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676280872	1075485358	/nfs/dbraw/zinc/48/53/58/1075485358.db2.gz	ULKMKWMZSMATBM-LRDDRELGSA-N	1	1	410.902	1.254	20	0		HDADMO
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676280279	1075486536	/nfs/dbraw/zinc/48/65/36/1075486536.db2.gz	UUJQXZQLYTUSCX-CXAGYDPISA-N	1	1	424.929	1.596	20	0		HDADMO
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676280279	1075486539	/nfs/dbraw/zinc/48/65/39/1075486539.db2.gz	UUJQXZQLYTUSCX-CXAGYDPISA-N	1	1	424.929	1.596	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676280448	1075486732	/nfs/dbraw/zinc/48/67/32/1075486732.db2.gz	SZVLMQOHGRUTFO-IINYFYTJSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676280448	1075486734	/nfs/dbraw/zinc/48/67/34/1075486734.db2.gz	SZVLMQOHGRUTFO-IINYFYTJSA-N	1	1	407.364	1.541	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[C@H]1C[N@H+](C)CCO1	ZINC000676280349	1075487130	/nfs/dbraw/zinc/48/71/30/1075487130.db2.gz	RXLDCSWZAAYRBZ-MEDUHNTESA-N	1	1	417.441	1.527	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280349	1075487134	/nfs/dbraw/zinc/48/71/34/1075487134.db2.gz	RXLDCSWZAAYRBZ-MEDUHNTESA-N	1	1	417.441	1.527	20	0		HDADMO
COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676281985	1075487857	/nfs/dbraw/zinc/48/78/57/1075487857.db2.gz	OQJYQKVUKVWNCA-NHYWBVRUSA-N	1	1	414.300	1.369	20	0		HDADMO
COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281985	1075487861	/nfs/dbraw/zinc/48/78/61/1075487861.db2.gz	OQJYQKVUKVWNCA-NHYWBVRUSA-N	1	1	414.300	1.369	20	0		HDADMO
COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676282029	1075487905	/nfs/dbraw/zinc/48/79/05/1075487905.db2.gz	PZHPLUGMADTGCT-BXUZGUMPSA-N	1	1	414.300	1.540	20	0		HDADMO
COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676282029	1075487908	/nfs/dbraw/zinc/48/79/08/1075487908.db2.gz	PZHPLUGMADTGCT-BXUZGUMPSA-N	1	1	414.300	1.540	20	0		HDADMO
CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676281604	1075488816	/nfs/dbraw/zinc/48/88/16/1075488816.db2.gz	YZKGXTDYLZQYGL-NHYWBVRUSA-N	1	1	414.300	1.622	20	0		HDADMO
CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281604	1075488820	/nfs/dbraw/zinc/48/88/20/1075488820.db2.gz	YZKGXTDYLZQYGL-NHYWBVRUSA-N	1	1	414.300	1.622	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1C[N@H+](C)CCO1	ZINC000676281314	1075489259	/nfs/dbraw/zinc/48/92/59/1075489259.db2.gz	VTBXYDSRBPWWIA-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281314	1075489262	/nfs/dbraw/zinc/48/92/62/1075489262.db2.gz	VTBXYDSRBPWWIA-RNCFNFMXSA-N	1	1	404.692	1.876	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C	ZINC000539479786	1075489479	/nfs/dbraw/zinc/48/94/79/1075489479.db2.gz	QWIIBRZIYZFAAG-FUHWJXTLSA-N	1	1	404.559	1.730	20	0		HDADMO
Cc1nc(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1-c1ccccc1	ZINC000731742968	1075490778	/nfs/dbraw/zinc/49/07/78/1075490778.db2.gz	OJDUDZWPQDQLTL-GOSISDBHSA-N	1	1	415.494	1.206	20	0		HDADMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(OC(F)F)n(C)n3)cc2)CC1	ZINC000466724207	1075491064	/nfs/dbraw/zinc/49/10/64/1075491064.db2.gz	DZPKDRFUILGZHK-UHFFFAOYSA-N	1	1	407.421	1.938	20	0		HDADMO
CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676288073	1075491519	/nfs/dbraw/zinc/49/15/19/1075491519.db2.gz	KNNDCEGLIQDESH-UZLBHIALSA-N	1	1	418.538	1.708	20	0		HDADMO
CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676288073	1075491523	/nfs/dbraw/zinc/49/15/23/1075491523.db2.gz	KNNDCEGLIQDESH-UZLBHIALSA-N	1	1	418.538	1.708	20	0		HDADMO
COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676288928	1075492678	/nfs/dbraw/zinc/49/26/78/1075492678.db2.gz	BGESACNFHKWMKV-GUYCJALGSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676288928	1075492681	/nfs/dbraw/zinc/49/26/81/1075492681.db2.gz	BGESACNFHKWMKV-GUYCJALGSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676308498	1075493589	/nfs/dbraw/zinc/49/35/89/1075493589.db2.gz	XELUZVLXRRZXBG-HHXXYDBFSA-N	1	1	404.511	1.835	20	0		HDADMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676308498	1075493594	/nfs/dbraw/zinc/49/35/94/1075493594.db2.gz	XELUZVLXRRZXBG-HHXXYDBFSA-N	1	1	404.511	1.835	20	0		HDADMO
CC1=CC[N@@H+](CCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1	ZINC000547281889	1075497673	/nfs/dbraw/zinc/49/76/73/1075497673.db2.gz	MYADONGWXVMMSK-UHFFFAOYSA-N	1	1	406.280	1.813	20	0		HDADMO
COc1cc2c(cc1OC)CN(CC(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CC2	ZINC000676294923	1075498099	/nfs/dbraw/zinc/49/80/99/1075498099.db2.gz	FGCKTOYFDJSHEY-LJQANCHMSA-N	1	1	403.523	1.385	20	0		HDADMO
CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1	ZINC000538541733	1075498126	/nfs/dbraw/zinc/49/81/26/1075498126.db2.gz	WOCVFCWLLSFYIU-GOSISDBHSA-N	1	1	413.522	1.651	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nc(N2CCOCC2)cc[nH+]1	ZINC000676304588	1075502699	/nfs/dbraw/zinc/50/26/99/1075502699.db2.gz	CQHCTDRSEMYEKX-OAHLLOKOSA-N	1	1	410.478	1.513	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676303460	1075502741	/nfs/dbraw/zinc/50/27/41/1075502741.db2.gz	CJZLRRJUMJNAMV-LXZKKBNFSA-N	1	1	403.445	1.875	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676303460	1075502743	/nfs/dbraw/zinc/50/27/43/1075502743.db2.gz	CJZLRRJUMJNAMV-LXZKKBNFSA-N	1	1	403.445	1.875	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307112	1075503907	/nfs/dbraw/zinc/50/39/07/1075503907.db2.gz	NQCVDJSAPKLTDA-QRTARXTBSA-N	1	1	419.444	1.755	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307112	1075503911	/nfs/dbraw/zinc/50/39/11/1075503911.db2.gz	NQCVDJSAPKLTDA-QRTARXTBSA-N	1	1	419.444	1.755	20	0		HDADMO
C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@H]1C[N@H+](C)CCO1	ZINC000676308023	1075505116	/nfs/dbraw/zinc/50/51/16/1075505116.db2.gz	TVPHQKDCNAKOHE-VLCRHTCISA-N	1	1	424.545	1.932	20	0		HDADMO
C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676308023	1075505118	/nfs/dbraw/zinc/50/51/18/1075505118.db2.gz	TVPHQKDCNAKOHE-VLCRHTCISA-N	1	1	424.545	1.932	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@H]1C[N@H+](C)CCO1	ZINC000676308024	1075505218	/nfs/dbraw/zinc/50/52/18/1075505218.db2.gz	TVPHQKDCNAKOHE-YUXAGFNASA-N	1	1	424.545	1.932	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676308024	1075505221	/nfs/dbraw/zinc/50/52/21/1075505221.db2.gz	TVPHQKDCNAKOHE-YUXAGFNASA-N	1	1	424.545	1.932	20	0		HDADMO
CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1	ZINC001006088980	1075505278	/nfs/dbraw/zinc/50/52/78/1075505278.db2.gz	GHVHMKFVOMRWAP-TVFZMDHNSA-N	1	1	401.507	1.666	20	0		HDADMO
CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1	ZINC001006088980	1075505281	/nfs/dbraw/zinc/50/52/81/1075505281.db2.gz	GHVHMKFVOMRWAP-TVFZMDHNSA-N	1	1	401.507	1.666	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000676316910	1075506108	/nfs/dbraw/zinc/50/61/08/1075506108.db2.gz	IBMOGESVMOLUCC-AEFFLSMTSA-N	1	1	424.567	1.107	20	0		HDADMO
Cc1nc(-c2cccnc2)nc(Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)c1C	ZINC000486931947	1075511087	/nfs/dbraw/zinc/51/10/87/1075511087.db2.gz	BVVACESVYVSQJA-UHFFFAOYSA-N	1	1	406.494	1.870	20	0		HDADMO
C[C@H](c1ccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cc1)[NH+]1CCOCC1	ZINC000509405236	1075512857	/nfs/dbraw/zinc/51/28/57/1075512857.db2.gz	IORTYVMUVZOEOP-DYESRHJHSA-N	1	1	411.502	1.738	20	0		HDADMO
COc1ccccc1S(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1	ZINC000464680003	1075514992	/nfs/dbraw/zinc/51/49/92/1075514992.db2.gz	YKTGAPYIKHZNIX-UHFFFAOYSA-N	1	1	421.519	2.506	20	0		HDADMO
C[N@@H+]1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1	ZINC000731761313	1075515350	/nfs/dbraw/zinc/51/53/50/1075515350.db2.gz	DVJJIWNUBQDEOM-LJQANCHMSA-N	1	1	408.568	1.194	20	0		HDADMO
C[N@H+]1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1	ZINC000731761313	1075515357	/nfs/dbraw/zinc/51/53/57/1075515357.db2.gz	DVJJIWNUBQDEOM-LJQANCHMSA-N	1	1	408.568	1.194	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1	ZINC000731762073	1075516311	/nfs/dbraw/zinc/51/63/11/1075516311.db2.gz	AOIQNCPIGHCXHT-MRXNPFEDSA-N	1	1	416.444	1.591	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676346653	1075519745	/nfs/dbraw/zinc/51/97/45/1075519745.db2.gz	DFOKLEPEXKXLQX-TYNCELHUSA-N	1	1	423.457	1.208	20	0		HDADMO
C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676346653	1075519749	/nfs/dbraw/zinc/51/97/49/1075519749.db2.gz	DFOKLEPEXKXLQX-TYNCELHUSA-N	1	1	423.457	1.208	20	0		HDADMO
Cc1nc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nn1C	ZINC000555849278	1075520350	/nfs/dbraw/zinc/52/03/50/1075520350.db2.gz	PXJTYCWTXVEIOF-UHFFFAOYSA-N	1	1	424.427	1.815	20	0		HDADMO
Cc1nc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nn1C	ZINC000555849278	1075520353	/nfs/dbraw/zinc/52/03/53/1075520353.db2.gz	PXJTYCWTXVEIOF-UHFFFAOYSA-N	1	1	424.427	1.815	20	0		HDADMO
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(OC)c1	ZINC000676332229	1075521583	/nfs/dbraw/zinc/52/15/83/1075521583.db2.gz	JVTSZQXHQZJKNW-POZUXBRTSA-N	1	1	405.495	1.144	20	0		HDADMO
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(OC)c1	ZINC000676332229	1075521585	/nfs/dbraw/zinc/52/15/85/1075521585.db2.gz	JVTSZQXHQZJKNW-POZUXBRTSA-N	1	1	405.495	1.144	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1	ZINC000731827255	1075525352	/nfs/dbraw/zinc/52/53/52/1075525352.db2.gz	VNWRALMRZOEQMX-ZDUSSCGKSA-N	1	1	417.959	1.555	20	0		HDADMO
O=S1(=O)CC[C@H](SCc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1	ZINC000731805150	1075526644	/nfs/dbraw/zinc/52/66/44/1075526644.db2.gz	XEXSGMBMDNQOPF-INIZCTEOSA-N	1	1	409.533	1.989	20	0		HDADMO
COc1nnc(NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1	ZINC000482474356	1075531882	/nfs/dbraw/zinc/53/18/82/1075531882.db2.gz	FCHQIEGUGHHBRH-INIZCTEOSA-N	1	1	402.524	1.971	20	0		HDADMO
CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccn1	ZINC000676406843	1075545064	/nfs/dbraw/zinc/54/50/64/1075545064.db2.gz	ZGPZQJPQBUNIGG-MJGOQNOKSA-N	1	1	417.554	1.114	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC000731873949	1075549420	/nfs/dbraw/zinc/54/94/20/1075549420.db2.gz	XWTWMMIKMPHGQF-HRAATJIYSA-N	1	1	402.495	1.453	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1	ZINC000804221761	1075555284	/nfs/dbraw/zinc/55/52/84/1075555284.db2.gz	VGFFGCMZNFVQGS-CVEARBPZSA-N	1	1	422.545	1.811	20	0		HDADMO
CC[NH+](CC)[C@H](C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1	ZINC000731906817	1075565201	/nfs/dbraw/zinc/56/52/01/1075565201.db2.gz	BXLBGYFMXWLZTO-INIZCTEOSA-N	1	1	413.478	1.060	20	0		HDADMO
COc1cccc([C@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1	ZINC000731911498	1075567708	/nfs/dbraw/zinc/56/77/08/1075567708.db2.gz	PGZXNXHXVORYLE-QFIPXVFZSA-N	1	1	412.486	1.925	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1	ZINC000676501180	1075569856	/nfs/dbraw/zinc/56/98/56/1075569856.db2.gz	PIQANGCQKRITBW-DZGCQCFKSA-N	1	1	405.465	1.007	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1	ZINC000676501180	1075569859	/nfs/dbraw/zinc/56/98/59/1075569859.db2.gz	PIQANGCQKRITBW-DZGCQCFKSA-N	1	1	405.465	1.007	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)O[C@H](C)C2	ZINC000676503284	1075570546	/nfs/dbraw/zinc/57/05/46/1075570546.db2.gz	YJKCKZAJSBTCLT-VQIMIIECSA-N	1	1	418.538	1.224	20	0		HDADMO
CCn1c(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)nc2ccccc21	ZINC000731962937	1075577669	/nfs/dbraw/zinc/57/76/69/1075577669.db2.gz	FINVCGNFTSNLCH-LJQANCHMSA-N	1	1	413.522	1.386	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)O[C@@H](C)C2	ZINC000676543777	1075581724	/nfs/dbraw/zinc/58/17/24/1075581724.db2.gz	GKWDNGXXQGYOPP-LPHOPBHVSA-N	1	1	402.539	1.940	20	0		HDADMO
CN(C(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446852365	1075587131	/nfs/dbraw/zinc/58/71/31/1075587131.db2.gz	NSGSMNDGGIYAJE-LJQANCHMSA-N	1	1	410.522	2.455	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676555788	1075589068	/nfs/dbraw/zinc/58/90/68/1075589068.db2.gz	BBOKFLKZAXOZCF-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676555788	1075589072	/nfs/dbraw/zinc/58/90/72/1075589072.db2.gz	BBOKFLKZAXOZCF-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cc3ccc(Br)cn3n2)CC1	ZINC000482185451	1075591139	/nfs/dbraw/zinc/59/11/39/1075591139.db2.gz	KPJYGGQVXXBWKJ-UHFFFAOYSA-N	1	1	423.315	1.771	20	0		HDADMO
CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1	ZINC000804176297	1075603620	/nfs/dbraw/zinc/60/36/20/1075603620.db2.gz	JQFFHVNAQRAKPD-IRXDYDNUSA-N	1	1	420.510	1.578	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)[NH+]2CCCC2)o1	ZINC000804176201	1075603634	/nfs/dbraw/zinc/60/36/34/1075603634.db2.gz	GJAUCSBXAWOYCI-QZTJIDSGSA-N	1	1	419.522	1.843	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)[NH+]2CCCC2)o1	ZINC000804176202	1075603665	/nfs/dbraw/zinc/60/36/65/1075603665.db2.gz	GJAUCSBXAWOYCI-ROUUACIJSA-N	1	1	419.522	1.843	20	0		HDADMO
C[N@@H+](CCN1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1)Cc1ccccc1	ZINC000732074053	1075606333	/nfs/dbraw/zinc/60/63/33/1075606333.db2.gz	QMAFYQNHIWHRNS-UHFFFAOYSA-N	1	1	416.444	1.551	20	0		HDADMO
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCCC[NH+]1CCOCC1	ZINC000732052469	1075608392	/nfs/dbraw/zinc/60/83/92/1075608392.db2.gz	WTDXBAOJPBHVRP-UHFFFAOYSA-N	1	1	418.538	1.423	20	0		HDADMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC[N@H+](C2CCC2)C1	ZINC000551280927	1075609499	/nfs/dbraw/zinc/60/94/99/1075609499.db2.gz	VUUQIWGJSYDGFT-KRWDZBQOSA-N	1	1	410.522	1.792	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)[NH+]2CCCC2)o1	ZINC000804179210	1075609946	/nfs/dbraw/zinc/60/99/46/1075609946.db2.gz	XTWJOFIFTRILSW-NVXWUHKLSA-N	1	1	407.511	1.747	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)[NH+]2CCCC2)o1	ZINC000804178264	1075612891	/nfs/dbraw/zinc/61/28/91/1075612891.db2.gz	GLJPHKBQDOUZIM-SFHVURJKSA-N	1	1	419.522	1.843	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)C[C@H](O)C2CC2)c1	ZINC000676632978	1075625714	/nfs/dbraw/zinc/62/57/14/1075625714.db2.gz	QYCAQIZDPNFBKS-INIZCTEOSA-N	1	1	403.932	1.622	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)C[C@@H](O)C2CC2)c1	ZINC000676632981	1075625790	/nfs/dbraw/zinc/62/57/90/1075625790.db2.gz	QYCAQIZDPNFBKS-MRXNPFEDSA-N	1	1	403.932	1.622	20	0		HDADMO
Cn1ccnc1[C@](O)(CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C(F)(F)F	ZINC000732127351	1075630957	/nfs/dbraw/zinc/63/09/57/1075630957.db2.gz	IKAMHQWHYBHGLZ-RHSMWYFYSA-N	1	1	404.433	1.273	20	0		HDADMO
CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732165076	1075643753	/nfs/dbraw/zinc/64/37/53/1075643753.db2.gz	CJSHPKPHJQXDFS-NSHDSACASA-N	1	1	402.314	1.405	20	0		HDADMO
CCOC(=O)Cc1cccc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1	ZINC000509430120	1075643762	/nfs/dbraw/zinc/64/37/62/1075643762.db2.gz	JRYONICJBCRJSI-LJQANCHMSA-N	1	1	423.579	1.583	20	0		HDADMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1	ZINC000732135653	1075645283	/nfs/dbraw/zinc/64/52/83/1075645283.db2.gz	JMCQMEFWEIECEZ-OAHLLOKOSA-N	1	1	407.536	1.848	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1	ZINC000732137485	1075646004	/nfs/dbraw/zinc/64/60/04/1075646004.db2.gz	HHBUSJGFABTILM-SECBINFHSA-N	1	1	410.359	1.762	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl	ZINC000732138712	1075646872	/nfs/dbraw/zinc/64/68/72/1075646872.db2.gz	GCYPJYDTQSRZMB-CQSZACIVSA-N	1	1	417.959	1.869	20	0		HDADMO
COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000732149533	1075649812	/nfs/dbraw/zinc/64/98/12/1075649812.db2.gz	KUJSTJNGRNCGLO-AWEZNQCLSA-N	1	1	416.478	1.525	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cn1nc(N2CCOCC2)n(C)c1=S	ZINC000732187531	1075653541	/nfs/dbraw/zinc/65/35/41/1075653541.db2.gz	PHRGDDHBOOFRRK-QGZVFWFLSA-N	1	1	402.568	1.951	20	0		HDADMO
CC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1	ZINC000676717986	1075654611	/nfs/dbraw/zinc/65/46/11/1075654611.db2.gz	SPVUNDRSVYEERQ-WOJBJXKFSA-N	1	1	402.539	1.027	20	0		HDADMO
CN(Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732190055	1075654966	/nfs/dbraw/zinc/65/49/66/1075654966.db2.gz	WHPURZRAPHEQIA-QZTJIDSGSA-N	1	1	422.599	1.556	20	0		HDADMO
C[C@@H]1COCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000676713884	1075658244	/nfs/dbraw/zinc/65/82/44/1075658244.db2.gz	MHUDFBZXQOQAFL-OAHLLOKOSA-N	1	1	415.943	1.284	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000732206491	1075664443	/nfs/dbraw/zinc/66/44/43/1075664443.db2.gz	BICKZAIFTYYCGF-KRWDZBQOSA-N	1	1	405.543	1.965	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000732208064	1075665870	/nfs/dbraw/zinc/66/58/70/1075665870.db2.gz	SONLLJRCEKIDTA-HNNXBMFYSA-N	1	1	408.499	1.409	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000732208064	1075665873	/nfs/dbraw/zinc/66/58/73/1075665873.db2.gz	SONLLJRCEKIDTA-HNNXBMFYSA-N	1	1	408.499	1.409	20	0		HDADMO
COCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1	ZINC000509432141	1075667430	/nfs/dbraw/zinc/66/74/30/1075667430.db2.gz	PRBFKYRAFILXGQ-UHFFFAOYSA-N	1	1	423.579	1.948	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000732211934	1075668016	/nfs/dbraw/zinc/66/80/16/1075668016.db2.gz	VJWYZSKGMAQEKK-MRXNPFEDSA-N	1	1	416.478	1.583	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000732211934	1075668021	/nfs/dbraw/zinc/66/80/21/1075668021.db2.gz	VJWYZSKGMAQEKK-MRXNPFEDSA-N	1	1	416.478	1.583	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000509432054	1075668327	/nfs/dbraw/zinc/66/83/27/1075668327.db2.gz	PCJBTXXGFSCISF-VXGBXAGGSA-N	1	1	410.540	1.556	20	0		HDADMO
CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1	ZINC000676739390	1075671513	/nfs/dbraw/zinc/67/15/13/1075671513.db2.gz	RRKJVVJEZMBATR-LLVKDONJSA-N	1	1	405.904	1.309	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1	ZINC000732202138	1075674532	/nfs/dbraw/zinc/67/45/32/1075674532.db2.gz	VRXMRWWODOUKOJ-KRWDZBQOSA-N	1	1	421.496	1.866	20	0		HDADMO
Cc1ccc(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1S(=O)(=O)N(C)C	ZINC000507224766	1075677572	/nfs/dbraw/zinc/67/75/72/1075677572.db2.gz	BAVIDDSKOCHMLQ-UHFFFAOYSA-N	1	1	405.524	1.787	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1	ZINC000804215671	1075689537	/nfs/dbraw/zinc/68/95/37/1075689537.db2.gz	AOHXPNFCXWAYLP-BRWVUGGUSA-N	1	1	412.575	1.985	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C	ZINC000804216970	1075691424	/nfs/dbraw/zinc/69/14/24/1075691424.db2.gz	RKYGXZAPWXVZQS-IXDOHACOSA-N	1	1	412.575	1.985	20	0		HDADMO
Cc1noc(CCC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1	ZINC001084996599	1075696726	/nfs/dbraw/zinc/69/67/26/1075696726.db2.gz	PXKGJGKMFUKFHG-AISVETHESA-N	1	1	404.511	1.285	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC[N@H+]1CC(C)(C)O	ZINC000444815350	1075698489	/nfs/dbraw/zinc/69/84/89/1075698489.db2.gz	FJXBRKCEQRRLPZ-CYBMUJFWSA-N	1	1	407.515	2.577	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)C(=O)C1	ZINC001545675489	1075699778	/nfs/dbraw/zinc/69/97/78/1075699778.db2.gz	ZEEQJZJYJAOUMY-QGZVFWFLSA-N	1	1	411.554	1.805	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000556208085	1075700146	/nfs/dbraw/zinc/70/01/46/1075700146.db2.gz	QKFQAJMVTVKBEI-HIFRSBDPSA-N	1	1	415.460	1.817	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1	ZINC000589726069	1075700730	/nfs/dbraw/zinc/70/07/30/1075700730.db2.gz	BKLXEZCCAIRZRO-UHFFFAOYSA-N	1	1	412.538	2.347	20	0		HDADMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)C[C@H](C)O1	ZINC000542349721	1075701356	/nfs/dbraw/zinc/70/13/56/1075701356.db2.gz	JWAHKYRKFHYQQP-IYBDPMFKSA-N	1	1	420.558	1.710	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)C[C@H](C)O1	ZINC000577922732	1075703813	/nfs/dbraw/zinc/70/38/13/1075703813.db2.gz	COFZXQITUHGFIJ-OKILXGFUSA-N	1	1	421.448	2.335	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)C[C@H](C)O1	ZINC000577922732	1075703817	/nfs/dbraw/zinc/70/38/17/1075703817.db2.gz	COFZXQITUHGFIJ-OKILXGFUSA-N	1	1	421.448	2.335	20	0		HDADMO
COc1cc2[nH+]c(N3CCC(C(=O)Nc4nncs4)CC3)nc(N)c2cc1OC	ZINC000540287326	1075705058	/nfs/dbraw/zinc/70/50/58/1075705058.db2.gz	SAJJNFICUXCURF-UHFFFAOYSA-N	1	1	415.479	1.936	20	0		HDADMO
Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NCC[N@H+](C)C1CC1	ZINC000466636863	1075705901	/nfs/dbraw/zinc/70/59/01/1075705901.db2.gz	XNWDWTSJABPFBZ-UHFFFAOYSA-N	1	1	419.551	1.280	20	0		HDADMO
O=C(NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)N1CCSCC1	ZINC000509436726	1075710121	/nfs/dbraw/zinc/71/01/21/1075710121.db2.gz	OLHOYHFNQAPVNC-SFHVURJKSA-N	1	1	416.547	1.537	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)n1	ZINC000471993345	1075712048	/nfs/dbraw/zinc/71/20/48/1075712048.db2.gz	SYPIZZRVPJHBNB-ZBFHGGJFSA-N	1	1	405.890	1.587	20	0		HDADMO
CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1	ZINC000471993345	1075712056	/nfs/dbraw/zinc/71/20/56/1075712056.db2.gz	SYPIZZRVPJHBNB-ZBFHGGJFSA-N	1	1	405.890	1.587	20	0		HDADMO
CC[C@]1(CO)CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439249	1075713553	/nfs/dbraw/zinc/71/35/53/1075713553.db2.gz	DHVTVUHLQKVHMY-XMSQKQJNSA-N	1	1	402.539	1.077	20	0		HDADMO
COCC1(C)CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000509439181	1075714074	/nfs/dbraw/zinc/71/40/74/1075714074.db2.gz	ONKRXVWTBVIFPO-IBGZPJMESA-N	1	1	416.566	1.588	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(C)(C)CCCO	ZINC000509439172	1075714193	/nfs/dbraw/zinc/71/41/93/1075714193.db2.gz	OKAPGPLAUCYNDW-GOSISDBHSA-N	1	1	404.555	1.228	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@@H+]1Cc1ccccc1	ZINC000466709566	1075714555	/nfs/dbraw/zinc/71/45/55/1075714555.db2.gz	DWAXOMJIOMMXAM-SJLPKXTDSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@H+]1Cc1ccccc1	ZINC000466709566	1075714560	/nfs/dbraw/zinc/71/45/60/1075714560.db2.gz	DWAXOMJIOMMXAM-SJLPKXTDSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCc2ccccc2C1	ZINC000509438437	1075717341	/nfs/dbraw/zinc/71/73/41/1075717341.db2.gz	BZHWAPQRDAKERW-IBGZPJMESA-N	1	1	406.530	1.898	20	0		HDADMO
Nc1nccc([C@@H]2CCC[N@H+](CC(=O)N3CCN(C(=O)c4cccs4)CC3)C2)n1	ZINC000554848915	1075719585	/nfs/dbraw/zinc/71/95/85/1075719585.db2.gz	SFIJVXTZXFFSCP-OAHLLOKOSA-N	1	1	414.535	1.284	20	0		HDADMO
Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)N3CCN(C(=O)c4cccs4)CC3)C2)n1	ZINC000554848915	1075719594	/nfs/dbraw/zinc/71/95/94/1075719594.db2.gz	SFIJVXTZXFFSCP-OAHLLOKOSA-N	1	1	414.535	1.284	20	0		HDADMO
CC(=O)N1CCN(CCOc2ccc(CCNc3cc[nH+]c(N(C)C)n3)cc2)CC1	ZINC000525359842	1075720667	/nfs/dbraw/zinc/72/06/67/1075720667.db2.gz	AFAFWNQOQFPSPF-UHFFFAOYSA-N	1	1	412.538	1.740	20	0		HDADMO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000446893780	1075723717	/nfs/dbraw/zinc/72/37/17/1075723717.db2.gz	ILTJPSVIPDLKNU-UHFFFAOYSA-N	1	1	410.453	1.935	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CCCO)CC(C)(C)C	ZINC000509440866	1075724140	/nfs/dbraw/zinc/72/41/40/1075724140.db2.gz	HKDHZOBSCDJGDO-LJQANCHMSA-N	1	1	418.582	1.570	20	0		HDADMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509257788	1075734646	/nfs/dbraw/zinc/73/46/46/1075734646.db2.gz	VOXRWGJKWHHWSP-HOTGVXAUSA-N	1	1	414.597	1.740	20	0		HDADMO
C[N@@H+](CCNC(=O)C1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1)Cc1ccccc1	ZINC000543588030	1075735572	/nfs/dbraw/zinc/73/55/72/1075735572.db2.gz	RBRUOTOOMFCNMF-UHFFFAOYSA-N	1	1	421.505	1.453	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCOC(C)(C)[C@H]1C	ZINC000509442587	1075737175	/nfs/dbraw/zinc/73/71/75/1075737175.db2.gz	QXFOITBSGOOEGV-QZTJIDSGSA-N	1	1	402.539	1.339	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[N@H+]1C	ZINC000509258961	1075738010	/nfs/dbraw/zinc/73/80/10/1075738010.db2.gz	QHEMBGSTDDJKAM-BZUAXINKSA-N	1	1	414.597	1.883	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1	ZINC000509443070	1075738024	/nfs/dbraw/zinc/73/80/24/1075738024.db2.gz	WZHXWOHZDFQDLY-QUCCMNQESA-N	1	1	424.549	1.790	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509443212	1075739049	/nfs/dbraw/zinc/73/90/49/1075739049.db2.gz	YFLXZNZVZZYUGD-UYAOXDASSA-N	1	1	402.539	1.341	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NCc1ccc(N2CCCC2=O)cc1	ZINC000732412587	1075739110	/nfs/dbraw/zinc/73/91/10/1075739110.db2.gz	QBSAZGBSSPCCQI-IBGZPJMESA-N	1	1	412.534	1.764	20	0		HDADMO
Cc1cc(N)nc(S[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)n1	ZINC000520678908	1075741095	/nfs/dbraw/zinc/74/10/95/1075741095.db2.gz	FEUUHISMBIYAHN-HNNXBMFYSA-N	1	1	401.536	1.996	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000620795989	1075752030	/nfs/dbraw/zinc/75/20/30/1075752030.db2.gz	LQQZLZFKQAUKRA-SFHVURJKSA-N	1	1	407.522	1.894	20	0		HDADMO
C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1N1CCC(O)CC1	ZINC000732464519	1075752964	/nfs/dbraw/zinc/75/29/64/1075752964.db2.gz	WOHZKQVWGMSMID-WBVHZDCISA-N	1	1	407.534	1.393	20	0		HDADMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1	ZINC000582570433	1075753947	/nfs/dbraw/zinc/75/39/47/1075753947.db2.gz	HNPRVIQTJKLISK-GOSISDBHSA-N	1	1	420.517	2.096	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000617344051	1075756562	/nfs/dbraw/zinc/75/65/62/1075756562.db2.gz	YHUKNGJXNVFSSC-UHFFFAOYSA-N	1	1	409.494	1.379	20	0		HDADMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000561456373	1075758924	/nfs/dbraw/zinc/75/89/24/1075758924.db2.gz	GNYVVGQCJCOAQF-UHFFFAOYSA-N	1	1	414.466	1.956	20	0		HDADMO
CSC[C@H]1CCC[N@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1	ZINC000429271671	1075761483	/nfs/dbraw/zinc/76/14/83/1075761483.db2.gz	JKBKPFXOGGZZRR-INIZCTEOSA-N	1	1	416.547	1.435	20	0		HDADMO
CSC[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1	ZINC000429271671	1075761488	/nfs/dbraw/zinc/76/14/88/1075761488.db2.gz	JKBKPFXOGGZZRR-INIZCTEOSA-N	1	1	416.547	1.435	20	0		HDADMO
CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000732490426	1075764743	/nfs/dbraw/zinc/76/47/43/1075764743.db2.gz	BJQFJZLFUMVUFK-GOSISDBHSA-N	1	1	410.946	1.944	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000467694992	1075765316	/nfs/dbraw/zinc/76/53/16/1075765316.db2.gz	CYLGDFAEPHCNHV-KSSFIOAISA-N	1	1	407.522	2.035	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1	ZINC000644695664	1075765795	/nfs/dbraw/zinc/76/57/95/1075765795.db2.gz	ZABGVDGWSXUBGF-KRWDZBQOSA-N	1	1	409.494	1.461	20	0		HDADMO
O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000509268270	1075769921	/nfs/dbraw/zinc/76/99/21/1075769921.db2.gz	ONWSKXQMEAYJDA-HZPDHXFCSA-N	1	1	412.581	1.638	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000470947446	1075773764	/nfs/dbraw/zinc/77/37/64/1075773764.db2.gz	NJMMPMLRRXJLOV-KRWDZBQOSA-N	1	1	414.485	1.607	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000470947446	1075773768	/nfs/dbraw/zinc/77/37/68/1075773768.db2.gz	NJMMPMLRRXJLOV-KRWDZBQOSA-N	1	1	414.485	1.607	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1	ZINC000142199080	1075776580	/nfs/dbraw/zinc/77/65/80/1075776580.db2.gz	YKQBRLOPLGGNRG-SFHVURJKSA-N	1	1	419.526	1.216	20	0		HDADMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)[C@@H](C)C1	ZINC000480570913	1075781652	/nfs/dbraw/zinc/78/16/52/1075781652.db2.gz	XJGQUNURJHMPKC-KBPBESRZSA-N	1	1	403.449	1.999	20	0		HDADMO
CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558571	1075785580	/nfs/dbraw/zinc/78/55/80/1075785580.db2.gz	BRQMOSSTDGVUPO-ZGBFETHSSA-N	1	1	420.579	1.698	20	0		HDADMO
CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558571	1075785584	/nfs/dbraw/zinc/78/55/84/1075785584.db2.gz	BRQMOSSTDGVUPO-ZGBFETHSSA-N	1	1	420.579	1.698	20	0		HDADMO
CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732562546	1075789080	/nfs/dbraw/zinc/78/90/80/1075789080.db2.gz	GIGTUZDZNZJOPQ-OAHLLOKOSA-N	1	1	420.608	1.922	20	0		HDADMO
CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732562546	1075789083	/nfs/dbraw/zinc/78/90/83/1075789083.db2.gz	GIGTUZDZNZJOPQ-OAHLLOKOSA-N	1	1	420.608	1.922	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1	ZINC000527080104	1075789128	/nfs/dbraw/zinc/78/91/28/1075789128.db2.gz	RPYYUXREYLJEIC-LBPRGKRZSA-N	1	1	410.400	1.683	20	0		HDADMO
CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)c1	ZINC000486823292	1075790488	/nfs/dbraw/zinc/79/04/88/1075790488.db2.gz	KKLIVKYHNRITBZ-YOUFYPILSA-N	1	1	421.586	1.195	20	0		HDADMO
CC(C)N(C)c1cnn([C@H]2CCCN(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)c1	ZINC000486823292	1075790495	/nfs/dbraw/zinc/79/04/95/1075790495.db2.gz	KKLIVKYHNRITBZ-YOUFYPILSA-N	1	1	421.586	1.195	20	0		HDADMO
CC(C)N(C)c1cnn([C@H]2CCCN(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)c1	ZINC000486823292	1075790502	/nfs/dbraw/zinc/79/05/02/1075790502.db2.gz	KKLIVKYHNRITBZ-YOUFYPILSA-N	1	1	421.586	1.195	20	0		HDADMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)C1	ZINC000475831861	1075797697	/nfs/dbraw/zinc/79/76/97/1075797697.db2.gz	LPDJVKQTGPCPHD-INIZCTEOSA-N	1	1	413.526	1.920	20	0		HDADMO
C[N@@H+](CCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Cc1ccc(F)cc1	ZINC000429278832	1075798394	/nfs/dbraw/zinc/79/83/94/1075798394.db2.gz	JJNBQIFCAZLMIT-UHFFFAOYSA-N	1	1	414.441	1.770	20	0		HDADMO
CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc1ccccc1	ZINC001129307349	1075800427	/nfs/dbraw/zinc/80/04/27/1075800427.db2.gz	WXWITQCVCVDJLT-RBUKOAKNSA-N	1	1	402.539	1.312	20	0		HDADMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc1ccccc1	ZINC001129307349	1075800435	/nfs/dbraw/zinc/80/04/35/1075800435.db2.gz	WXWITQCVCVDJLT-RBUKOAKNSA-N	1	1	402.539	1.312	20	0		HDADMO
CCN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C	ZINC000804254190	1075806892	/nfs/dbraw/zinc/80/68/92/1075806892.db2.gz	ASBXEHKTLFDMDY-SJLPKXTDSA-N	1	1	422.570	1.835	20	0		HDADMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@H+]1Cc1ccccc1	ZINC000475858282	1075811954	/nfs/dbraw/zinc/81/19/54/1075811954.db2.gz	UVWHRCFVBUHDMI-WMZOPIPTSA-N	1	1	413.526	1.883	20	0		HDADMO
CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000438777128	1075813128	/nfs/dbraw/zinc/81/31/28/1075813128.db2.gz	VAJHLSNVNZNBNW-FGTMMUONSA-N	1	1	405.543	1.968	20	0		HDADMO
CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000438777128	1075813131	/nfs/dbraw/zinc/81/31/31/1075813131.db2.gz	VAJHLSNVNZNBNW-FGTMMUONSA-N	1	1	405.543	1.968	20	0		HDADMO
CC(C)CCn1ccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1	ZINC000543827220	1075816667	/nfs/dbraw/zinc/81/66/67/1075816667.db2.gz	OIMNAUYHEQNHNZ-IBGZPJMESA-N	1	1	413.522	1.751	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1	ZINC000611036668	1075817960	/nfs/dbraw/zinc/81/79/60/1075817960.db2.gz	GMTDGMIUSSEOJI-OAHLLOKOSA-N	1	1	411.524	1.636	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1	ZINC000611036668	1075817965	/nfs/dbraw/zinc/81/79/65/1075817965.db2.gz	GMTDGMIUSSEOJI-OAHLLOKOSA-N	1	1	411.524	1.636	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611037222	1075818372	/nfs/dbraw/zinc/81/83/72/1075818372.db2.gz	GTJUVFKLHOYKGQ-OAHLLOKOSA-N	1	1	411.524	1.718	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000611038407	1075819032	/nfs/dbraw/zinc/81/90/32/1075819032.db2.gz	RLZUCVMEKUILTR-SJLPKXTDSA-N	1	1	403.479	1.920	20	0		HDADMO
O=C(/C=C\C1CCOCC1)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000732635180	1075820572	/nfs/dbraw/zinc/82/05/72/1075820572.db2.gz	YYSQMYAVKBBFKB-PLNGDYQASA-N	1	1	401.507	1.946	20	0		HDADMO
Cc1ccccc1-n1cc(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cn1	ZINC000732682859	1075820816	/nfs/dbraw/zinc/82/08/16/1075820816.db2.gz	TVWJJWIUHZBILT-IBGZPJMESA-N	1	1	414.506	1.811	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2cnc(-c3cnn(C)c3)s2)C1	ZINC000732686614	1075821688	/nfs/dbraw/zinc/82/16/88/1075821688.db2.gz	IVPBKMNPVWHBOG-OAHLLOKOSA-N	1	1	421.523	1.173	20	0		HDADMO
CC[N@H+]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)C[C@H]1C	ZINC000611088278	1075827615	/nfs/dbraw/zinc/82/76/15/1075827615.db2.gz	NPYDGSOOAYXQJG-GDBMZVCRSA-N	1	1	417.572	1.778	20	0		HDADMO
COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCCC[NH+]1CCN(C)CC1	ZINC000611078863	1075829182	/nfs/dbraw/zinc/82/91/82/1075829182.db2.gz	MFOBZGHQVCLTHK-UHFFFAOYSA-N	1	1	403.932	1.433	20	0		HDADMO
CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N[C@@H]2CCC[C@@H]2C(=O)NC)c2ccncc2[nH+]1	ZINC000553450536	1075829983	/nfs/dbraw/zinc/82/99/83/1075829983.db2.gz	FPRVMTMKHXPCIB-HZMVEIRTSA-N	1	1	410.522	2.283	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000429291851	1075830741	/nfs/dbraw/zinc/83/07/41/1075830741.db2.gz	GXAIPINOTUSXEU-SJORKVTESA-N	1	1	404.511	1.279	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000429291845	1075830761	/nfs/dbraw/zinc/83/07/61/1075830761.db2.gz	GXAIPINOTUSXEU-DLBZAZTESA-N	1	1	404.511	1.279	20	0		HDADMO
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCCNc1ccc(C)c[nH+]1	ZINC000465551087	1075831533	/nfs/dbraw/zinc/83/15/33/1075831533.db2.gz	SAPDUIUBLZPJMV-IBGZPJMESA-N	1	1	408.506	2.330	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2I)C[C@@H]1C	ZINC000611100734	1075833605	/nfs/dbraw/zinc/83/36/05/1075833605.db2.gz	PMBPFTSRTMJDCG-NSHDSACASA-N	1	1	401.248	1.782	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2I)C[C@@H]1C	ZINC000611100734	1075833611	/nfs/dbraw/zinc/83/36/11/1075833611.db2.gz	PMBPFTSRTMJDCG-NSHDSACASA-N	1	1	401.248	1.782	20	0		HDADMO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000509284471	1075835674	/nfs/dbraw/zinc/83/56/74/1075835674.db2.gz	HHFQOKJMYIVLCP-KSZLIROESA-N	1	1	409.571	1.798	20	0		HDADMO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000509284471	1075835679	/nfs/dbraw/zinc/83/56/79/1075835679.db2.gz	HHFQOKJMYIVLCP-KSZLIROESA-N	1	1	409.571	1.798	20	0		HDADMO
CN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732703318	1075836686	/nfs/dbraw/zinc/83/66/86/1075836686.db2.gz	SGNDTYSTGBAGBO-CQSZACIVSA-N	1	1	412.478	1.426	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000429295053	1075846101	/nfs/dbraw/zinc/84/61/01/1075846101.db2.gz	AAXRUZACVJHQPF-KURKYZTESA-N	1	1	418.538	1.749	20	0		HDADMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)c3ccnc4c3nnn4C)CC2)C[C@@H](C)O1	ZINC000509290582	1075848796	/nfs/dbraw/zinc/84/87/96/1075848796.db2.gz	WJJDFBDHSNZIEE-HUUCEWRRSA-N	1	1	402.499	1.094	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000732777956	1075855506	/nfs/dbraw/zinc/85/55/06/1075855506.db2.gz	IPVZVDQSQGIDRH-IUXPMGMMSA-N	1	1	423.604	1.864	20	0		HDADMO
C[NH+]1CCN(c2cc(C(=O)Nn3cnc4sc5c(c4c3=O)CCCC5)ccn2)CC1	ZINC000732753392	1075856324	/nfs/dbraw/zinc/85/63/24/1075856324.db2.gz	QLFKCLHCZLIWHC-UHFFFAOYSA-N	1	1	424.530	1.868	20	0		HDADMO
COCC1CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1	ZINC000732799058	1075861333	/nfs/dbraw/zinc/86/13/33/1075861333.db2.gz	OQTLBFQNKUZZIM-NRFANRHFSA-N	1	1	416.478	1.726	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C(F)(F)F)n1	ZINC000732779156	1075863811	/nfs/dbraw/zinc/86/38/11/1075863811.db2.gz	RDNSSUNVGYONFG-GUYCJALGSA-N	1	1	420.501	1.876	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(F)(F)F)n1	ZINC000732779156	1075863814	/nfs/dbraw/zinc/86/38/14/1075863814.db2.gz	RDNSSUNVGYONFG-GUYCJALGSA-N	1	1	420.501	1.876	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)C2)CC1	ZINC000732781380	1075864643	/nfs/dbraw/zinc/86/46/43/1075864643.db2.gz	QJJWWKOELZQYBZ-UKRRQHHQSA-N	1	1	406.449	1.434	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)C2)CC1	ZINC000732781380	1075864647	/nfs/dbraw/zinc/86/46/47/1075864647.db2.gz	QJJWWKOELZQYBZ-UKRRQHHQSA-N	1	1	406.449	1.434	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1	ZINC000611169442	1075866874	/nfs/dbraw/zinc/86/68/74/1075866874.db2.gz	JFPUBIZXIVWMJG-UHFFFAOYSA-N	1	1	424.571	1.666	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732811849	1075873945	/nfs/dbraw/zinc/87/39/45/1075873945.db2.gz	WSNGAQFCBWTLSR-OAHLLOKOSA-N	1	1	423.457	1.411	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)[C@@H]1C[N@H+](C)CCO1	ZINC000611200612	1075876902	/nfs/dbraw/zinc/87/69/02/1075876902.db2.gz	ACQXZRDGGUEYTR-WBMJQRKESA-N	1	1	409.458	1.555	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)[C@@H]1C[N@@H+](C)CCO1	ZINC000611200612	1075876907	/nfs/dbraw/zinc/87/69/07/1075876907.db2.gz	ACQXZRDGGUEYTR-WBMJQRKESA-N	1	1	409.458	1.555	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)CC1=O	ZINC000732839198	1075883309	/nfs/dbraw/zinc/88/33/09/1075883309.db2.gz	SJKGSVXWAUWPPV-IPMKNSEASA-N	1	1	404.555	1.323	20	0		HDADMO
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000611244252	1075885438	/nfs/dbraw/zinc/88/54/38/1075885438.db2.gz	NCBNOXYDXLVGRF-KXBFYZLASA-N	1	1	416.522	1.523	20	0		HDADMO
COc1c(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c(C)nn1C	ZINC000732851000	1075885904	/nfs/dbraw/zinc/88/59/04/1075885904.db2.gz	JFTVQMBYKLHOBC-UHFFFAOYSA-N	1	1	414.506	1.937	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)CC1=O	ZINC000611307946	1075896786	/nfs/dbraw/zinc/89/67/86/1075896786.db2.gz	BPWXWOBEQLWYAH-RCCFBDPRSA-N	1	1	407.555	1.757	20	0		HDADMO
Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000732896001	1075898009	/nfs/dbraw/zinc/89/80/09/1075898009.db2.gz	CKACDQXBONVODN-FQEVSTJZSA-N	1	1	424.501	1.171	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000611321382	1075899837	/nfs/dbraw/zinc/89/98/37/1075899837.db2.gz	OHQRXCMKIGGIAC-DLBZAZTESA-N	1	1	419.522	1.864	20	0		HDADMO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732871397	1075901801	/nfs/dbraw/zinc/90/18/01/1075901801.db2.gz	HBRPJBQTSUEHAY-WOJBJXKFSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732871397	1075901804	/nfs/dbraw/zinc/90/18/04/1075901804.db2.gz	HBRPJBQTSUEHAY-WOJBJXKFSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c(OC)c1	ZINC000732871388	1075901859	/nfs/dbraw/zinc/90/18/59/1075901859.db2.gz	HANMUOKXDBMLAA-ZWKOTPCHSA-N	1	1	420.506	1.698	20	0		HDADMO
O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732872004	1075902130	/nfs/dbraw/zinc/90/21/30/1075902130.db2.gz	RLLSXWAOCRKWJF-MSOLQXFVSA-N	1	1	400.479	1.341	20	0		HDADMO
COC(=O)c1cc2cc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)ccc2o1	ZINC000611365629	1075913589	/nfs/dbraw/zinc/91/35/89/1075913589.db2.gz	IDOIPCKJIMSSMV-HZPDHXFCSA-N	1	1	415.446	1.216	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Cl	ZINC000611365694	1075914102	/nfs/dbraw/zinc/91/41/02/1075914102.db2.gz	WHRUZCPAXMWYOH-HZPDHXFCSA-N	1	1	409.870	1.123	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1	ZINC000611373467	1075916025	/nfs/dbraw/zinc/91/60/25/1075916025.db2.gz	LUUTUIYPDPHRBY-GDBMZVCRSA-N	1	1	410.465	1.822	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1	ZINC000611373467	1075916027	/nfs/dbraw/zinc/91/60/27/1075916027.db2.gz	LUUTUIYPDPHRBY-GDBMZVCRSA-N	1	1	410.465	1.822	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc(Cl)nc(N4CCCC4)c3)CC2)CC1	ZINC000732954530	1075918239	/nfs/dbraw/zinc/91/82/39/1075918239.db2.gz	ILTNMTMJUISIHL-UHFFFAOYSA-N	1	1	419.957	1.961	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000611380242	1075921426	/nfs/dbraw/zinc/92/14/26/1075921426.db2.gz	OWNDTTCAAPKTHO-QWHCGFSZSA-N	1	1	424.295	1.917	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C[C@@H]1C	ZINC000611381925	1075922708	/nfs/dbraw/zinc/92/27/08/1075922708.db2.gz	IFKVXAAQOYWXJJ-NSHDSACASA-N	1	1	412.284	1.727	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C[C@@H]1C	ZINC000611381925	1075922711	/nfs/dbraw/zinc/92/27/11/1075922711.db2.gz	IFKVXAAQOYWXJJ-NSHDSACASA-N	1	1	412.284	1.727	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)NCCc2c[nH]c3ccc(OC)cc23)[C@@H](C)C1	ZINC000611396069	1075924645	/nfs/dbraw/zinc/92/46/45/1075924645.db2.gz	YTYLFJUIDQDRLA-HNNXBMFYSA-N	1	1	402.495	1.998	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)NCCc2c[nH]c3ccc(OC)cc23)[C@@H](C)C1	ZINC000611396069	1075924646	/nfs/dbraw/zinc/92/46/46/1075924646.db2.gz	YTYLFJUIDQDRLA-HNNXBMFYSA-N	1	1	402.495	1.998	20	0		HDADMO
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)NCCCN1CCC[N@@H+](C)CC1	ZINC000611402810	1075926060	/nfs/dbraw/zinc/92/60/60/1075926060.db2.gz	YVSYDAHKDQGVMU-UHFFFAOYSA-N	1	1	411.568	1.635	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)[C@H](C)C1	ZINC000611407656	1075927193	/nfs/dbraw/zinc/92/71/93/1075927193.db2.gz	STOOZZLMUUOUPA-CYBMUJFWSA-N	1	1	419.478	1.903	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)[C@H](C)C1	ZINC000611407656	1075927195	/nfs/dbraw/zinc/92/71/95/1075927195.db2.gz	STOOZZLMUUOUPA-CYBMUJFWSA-N	1	1	419.478	1.903	20	0		HDADMO
CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000732960310	1075932401	/nfs/dbraw/zinc/93/24/01/1075932401.db2.gz	FPCPUIJHNPQSKA-ZACQAIPSSA-N	1	1	424.567	1.232	20	0		HDADMO
C[C@@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000733002276	1075934174	/nfs/dbraw/zinc/93/41/74/1075934174.db2.gz	YDRFRAXDMPJUOO-AWEZNQCLSA-N	1	1	415.506	1.814	20	0		HDADMO
C[C@@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCc2ccccc2C1	ZINC000733002276	1075934179	/nfs/dbraw/zinc/93/41/79/1075934179.db2.gz	YDRFRAXDMPJUOO-AWEZNQCLSA-N	1	1	415.506	1.814	20	0		HDADMO
COC(=O)C1(c2ccc(S(=O)(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2)CC1	ZINC000611445755	1075935939	/nfs/dbraw/zinc/93/59/39/1075935939.db2.gz	QEHOOXQDPNBWDE-SFHVURJKSA-N	1	1	421.563	1.292	20	0		HDADMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1	ZINC000732981637	1075936075	/nfs/dbraw/zinc/93/60/75/1075936075.db2.gz	UHBBCTUTZNAIGI-ROUUACIJSA-N	1	1	400.523	1.981	20	0		HDADMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1	ZINC000732981637	1075936077	/nfs/dbraw/zinc/93/60/77/1075936077.db2.gz	UHBBCTUTZNAIGI-ROUUACIJSA-N	1	1	400.523	1.981	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C	ZINC000611457761	1075940454	/nfs/dbraw/zinc/94/04/54/1075940454.db2.gz	HKHBBSNXFOJVRU-CQSZACIVSA-N	1	1	408.524	1.020	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)C[C@@H]1C	ZINC000611484544	1075946643	/nfs/dbraw/zinc/94/66/43/1075946643.db2.gz	AGFSNMMTJLSHOY-PXNSSMCTSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)C[C@@H]1C	ZINC000611484544	1075946647	/nfs/dbraw/zinc/94/66/47/1075946647.db2.gz	AGFSNMMTJLSHOY-PXNSSMCTSA-N	1	1	403.523	1.845	20	0		HDADMO
CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000611510639	1075951179	/nfs/dbraw/zinc/95/11/79/1075951179.db2.gz	LIZPUMLMKCRKEO-AWEZNQCLSA-N	1	1	400.497	1.504	20	0		HDADMO
CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000611510639	1075951182	/nfs/dbraw/zinc/95/11/82/1075951182.db2.gz	LIZPUMLMKCRKEO-AWEZNQCLSA-N	1	1	400.497	1.504	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733048838	1075954569	/nfs/dbraw/zinc/95/45/69/1075954569.db2.gz	PQLQEBYNUIQPJR-GDBMZVCRSA-N	1	1	414.506	1.824	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nc1C1CC1	ZINC000611544304	1075959084	/nfs/dbraw/zinc/95/90/84/1075959084.db2.gz	NYQUAJAMCSPXFW-QGZVFWFLSA-N	1	1	415.538	1.713	20	0		HDADMO
COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nc1C1CC1	ZINC000611544304	1075959087	/nfs/dbraw/zinc/95/90/87/1075959087.db2.gz	NYQUAJAMCSPXFW-QGZVFWFLSA-N	1	1	415.538	1.713	20	0		HDADMO
C[N@@H+]1CC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1	ZINC000490963328	1075970236	/nfs/dbraw/zinc/97/02/36/1075970236.db2.gz	HASRCPGLPKYCET-RTBURBONSA-N	1	1	410.946	1.421	20	0		HDADMO
C[N@H+]1CC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1	ZINC000490963328	1075970238	/nfs/dbraw/zinc/97/02/38/1075970238.db2.gz	HASRCPGLPKYCET-RTBURBONSA-N	1	1	410.946	1.421	20	0		HDADMO
C[C@H]1C[C@H](CCNC(=O)N(CCO)CCN2CCOCC2)C[N@H+]1Cc1ccccc1	ZINC000490991417	1075970681	/nfs/dbraw/zinc/97/06/81/1075970681.db2.gz	AWMFGAOIPYNLMV-UNMCSNQZSA-N	1	1	418.582	1.623	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c2C)no1	ZINC000506024978	1075973895	/nfs/dbraw/zinc/97/38/95/1075973895.db2.gz	ALBGXZLHATXFHA-UHFFFAOYSA-N	1	1	410.478	1.693	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OC)cc2C(=O)NC)CC1=O	ZINC000733143122	1075975349	/nfs/dbraw/zinc/97/53/49/1075975349.db2.gz	BCSICRIBJLTHKE-GJZGRUSLSA-N	1	1	402.495	1.326	20	0		HDADMO
C[NH+]1CCN(CCCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733131444	1075980511	/nfs/dbraw/zinc/98/05/11/1075980511.db2.gz	PFCKYEOAZBDQSI-RELWKKBWSA-N	1	1	421.545	1.996	20	0		HDADMO
CCc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1CC	ZINC000508317511	1075982371	/nfs/dbraw/zinc/98/23/71/1075982371.db2.gz	KTTSPVWDYMOUHP-AYHJJNSGSA-N	1	1	414.550	1.950	20	0		HDADMO
CNC(=O)c1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1	ZINC001080182132	1075985584	/nfs/dbraw/zinc/98/55/84/1075985584.db2.gz	USEOMJAOHULAKB-RBUQIHAASA-N	1	1	401.507	1.034	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](C3N=NC(=S)N3C)C2)CC1=O	ZINC000733152529	1075987691	/nfs/dbraw/zinc/98/76/91/1075987691.db2.gz	ZBOUOGFVTWJAEK-OWCLPIDISA-N	1	1	420.583	1.143	20	0		HDADMO
CCOc1cc(C[N@@H+](CCO)CCN2CCOCC2)cc(Br)c1OC	ZINC000510177159	1075989891	/nfs/dbraw/zinc/98/98/91/1075989891.db2.gz	RSGPMQNXEOOAKY-UHFFFAOYSA-N	1	1	417.344	1.983	20	0		HDADMO
OCC[N@@H+](CCN1CCOCC1)Cc1cc(Br)c2c(c1)OCCO2	ZINC000510144757	1075989960	/nfs/dbraw/zinc/98/99/60/1075989960.db2.gz	PHKSRZMQOKRRTK-UHFFFAOYSA-N	1	1	401.301	1.347	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000733163754	1075996334	/nfs/dbraw/zinc/99/63/34/1075996334.db2.gz	ICWPTDHBPYGMHG-HMMYKYKNSA-N	1	1	415.517	1.603	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000733163754	1075996340	/nfs/dbraw/zinc/99/63/40/1075996340.db2.gz	ICWPTDHBPYGMHG-HMMYKYKNSA-N	1	1	415.517	1.603	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000733163753	1075996361	/nfs/dbraw/zinc/99/63/61/1075996361.db2.gz	ICWPTDHBPYGMHG-HKWRFOASSA-N	1	1	415.517	1.603	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000733163753	1075996364	/nfs/dbraw/zinc/99/63/64/1075996364.db2.gz	ICWPTDHBPYGMHG-HKWRFOASSA-N	1	1	415.517	1.603	20	0		HDADMO
C[C@H](c1ccccc1)[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1	ZINC000512243167	1076000993	/nfs/dbraw/zinc/00/09/93/1076000993.db2.gz	JLJAUAFSZAJNMO-LJQANCHMSA-N	1	1	414.550	1.215	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1	ZINC000733170523	1076001000	/nfs/dbraw/zinc/00/10/00/1076001000.db2.gz	OAVWGQZKJSJYBQ-OAHLLOKOSA-N	1	1	416.570	1.201	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1	ZINC000733196353	1076002847	/nfs/dbraw/zinc/00/28/47/1076002847.db2.gz	CCORUBFRTCHQBJ-FCNRDGCESA-N	1	1	418.519	1.593	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N(C)CC[NH+]3CCN(c4ccccc4)CC3)c2C)no1	ZINC000513564545	1076005848	/nfs/dbraw/zinc/00/58/48/1076005848.db2.gz	XJHLHISAMUILFP-UHFFFAOYSA-N	1	1	423.521	1.825	20	0		HDADMO
COC(=O)CC[N@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)C(C)C	ZINC000733184939	1076012107	/nfs/dbraw/zinc/01/21/07/1076012107.db2.gz	VDFUVWZONSESRO-UHFFFAOYSA-N	1	1	405.495	1.977	20	0		HDADMO
COC(=O)CC[N@@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)C(C)C	ZINC000733184939	1076012116	/nfs/dbraw/zinc/01/21/16/1076012116.db2.gz	VDFUVWZONSESRO-UHFFFAOYSA-N	1	1	405.495	1.977	20	0		HDADMO
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1	ZINC000733188491	1076013155	/nfs/dbraw/zinc/01/31/55/1076013155.db2.gz	GNYMYZMZGNVTTD-INIZCTEOSA-N	1	1	418.542	1.934	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)no1	ZINC000514025275	1076016357	/nfs/dbraw/zinc/01/63/57/1076016357.db2.gz	UYVFWTYSCBHPDV-YSVLISHTSA-N	1	1	404.515	1.390	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)COc2cccc(C=O)c2)cc1	ZINC000733258233	1076019066	/nfs/dbraw/zinc/01/90/66/1076019066.db2.gz	QBZHDYIKXNJZRV-UHFFFAOYSA-N	1	1	424.501	1.727	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCOc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959668	1076019878	/nfs/dbraw/zinc/01/98/78/1076019878.db2.gz	RXVNEMQPEHDBEY-QQEKQYBASA-N	1	1	400.519	1.921	20	0		HDADMO
COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)c1	ZINC001081960898	1076020601	/nfs/dbraw/zinc/02/06/01/1076020601.db2.gz	YNCPKWRJFAKYOW-WQNFENHCSA-N	1	1	402.491	1.313	20	0		HDADMO
COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)c1	ZINC001081960898	1076020603	/nfs/dbraw/zinc/02/06/03/1076020603.db2.gz	YNCPKWRJFAKYOW-WQNFENHCSA-N	1	1	402.491	1.313	20	0		HDADMO
CCOC(=O)N(C)C1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1	ZINC000727034649	1076029546	/nfs/dbraw/zinc/02/95/46/1076029546.db2.gz	RBLCRDMTEFHPEX-QGZVFWFLSA-N	1	1	411.547	1.191	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cn1	ZINC000727104643	1076045421	/nfs/dbraw/zinc/04/54/21/1076045421.db2.gz	XNTLFIVJDDJZDG-SFHVURJKSA-N	1	1	412.494	1.356	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(=O)OCc2ccccc2Cl)CC1	ZINC000733338157	1076045887	/nfs/dbraw/zinc/04/58/87/1076045887.db2.gz	RHIQVTWKKMHUDU-UHFFFAOYSA-N	1	1	424.929	1.673	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](O)COc2cccc(F)c2)CC1=O	ZINC000733358861	1076051506	/nfs/dbraw/zinc/05/15/06/1076051506.db2.gz	NWPNWFPKNJYPOK-NXHRZFHOSA-N	1	1	407.486	1.014	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c([nH]2)CCCC4)C3)O1	ZINC001006198518	1076056347	/nfs/dbraw/zinc/05/63/47/1076056347.db2.gz	KMFFFCSUTWPLNH-PUIHCZSXSA-N	1	1	400.523	1.474	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c([nH]2)CCCC4)C3)O1	ZINC001006198518	1076056355	/nfs/dbraw/zinc/05/63/55/1076056355.db2.gz	KMFFFCSUTWPLNH-PUIHCZSXSA-N	1	1	400.523	1.474	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccc(Cl)cc2Br)CC1	ZINC000733369848	1076057180	/nfs/dbraw/zinc/05/71/80/1076057180.db2.gz	OTIYOHNOQONZNV-UHFFFAOYSA-N	1	1	402.720	1.925	20	0		HDADMO
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O	ZINC000727167588	1076067612	/nfs/dbraw/zinc/06/76/12/1076067612.db2.gz	VEYPVHLDOSDPGF-YCRPNKLZSA-N	1	1	402.495	1.787	20	0		HDADMO
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O	ZINC000727167588	1076067618	/nfs/dbraw/zinc/06/76/18/1076067618.db2.gz	VEYPVHLDOSDPGF-YCRPNKLZSA-N	1	1	402.495	1.787	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O	ZINC000727175596	1076069733	/nfs/dbraw/zinc/06/97/33/1076069733.db2.gz	WDJZIGKVNNELLP-ZBFHGGJFSA-N	1	1	423.535	1.470	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000727174823	1076069886	/nfs/dbraw/zinc/06/98/86/1076069886.db2.gz	FYIQCZVJQLLVRZ-HNNXBMFYSA-N	1	1	406.552	1.694	20	0		HDADMO
COC(=O)C1=C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000727158135	1076071876	/nfs/dbraw/zinc/07/18/76/1076071876.db2.gz	BOHAHIHIDOPRRW-QRWLVFNGSA-N	1	1	414.506	1.787	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000727158135	1076071883	/nfs/dbraw/zinc/07/18/83/1076071883.db2.gz	BOHAHIHIDOPRRW-QRWLVFNGSA-N	1	1	414.506	1.787	20	0		HDADMO
C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(S(N)(=O)=O)c1	ZINC000727318440	1076096270	/nfs/dbraw/zinc/09/62/70/1076096270.db2.gz	XCRHOWSSPCVTPU-HNNXBMFYSA-N	1	1	418.519	1.460	20	0		HDADMO
COC(=O)N[C@H](C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C	ZINC000733554521	1076097527	/nfs/dbraw/zinc/09/75/27/1076097527.db2.gz	VPEUDOXRIMANAO-IBGZPJMESA-N	1	1	405.495	1.563	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)o2)CC1	ZINC000733587079	1076116372	/nfs/dbraw/zinc/11/63/72/1076116372.db2.gz	UORKSPQBZPTWNI-UHFFFAOYSA-N	1	1	420.487	1.493	20	0		HDADMO
COC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1	ZINC000727434892	1076119128	/nfs/dbraw/zinc/11/91/28/1076119128.db2.gz	NOUMRDNRJCDOCO-KRWDZBQOSA-N	1	1	405.470	1.562	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000733643488	1076137002	/nfs/dbraw/zinc/13/70/02/1076137002.db2.gz	QYBDRHHMGCWKPE-MRXNPFEDSA-N	1	1	411.547	1.239	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1	ZINC000727491675	1076137362	/nfs/dbraw/zinc/13/73/62/1076137362.db2.gz	KLWYSAXYJCJYIK-SFHVURJKSA-N	1	1	418.538	1.403	20	0		HDADMO
CC(C)N(CCC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C(=O)OC(C)(C)C	ZINC000727486608	1076141562	/nfs/dbraw/zinc/14/15/62/1076141562.db2.gz	NGXCDLUZAKGTOZ-KRWDZBQOSA-N	1	1	410.559	1.963	20	0		HDADMO
C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000727524366	1076146236	/nfs/dbraw/zinc/14/62/36/1076146236.db2.gz	DMXQUDRPWVCKHO-QAPCUYQASA-N	1	1	422.485	1.987	20	0		HDADMO
C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000727524365	1076146251	/nfs/dbraw/zinc/14/62/51/1076146251.db2.gz	DMXQUDRPWVCKHO-MAUKXSAKSA-N	1	1	422.485	1.987	20	0		HDADMO
C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000733667933	1076148568	/nfs/dbraw/zinc/14/85/68/1076148568.db2.gz	FSBXQSSYHZABFC-CVEARBPZSA-N	1	1	424.567	1.047	20	0		HDADMO
Cc1noc(Cn2cc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)ccc2=O)n1	ZINC000526046164	1076171196	/nfs/dbraw/zinc/17/11/96/1076171196.db2.gz	IDJFZCXTFLEZNU-UHFFFAOYSA-N	1	1	422.489	1.140	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1	ZINC000727610384	1076180287	/nfs/dbraw/zinc/18/02/87/1076180287.db2.gz	LBVLQLYZTOOLPN-UHFFFAOYSA-N	1	1	423.489	1.476	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCCCO3)cn1	ZINC000727624802	1076189378	/nfs/dbraw/zinc/18/93/78/1076189378.db2.gz	ZOUYCVTYULFHCO-UHFFFAOYSA-N	1	1	407.430	1.992	20	0		HDADMO
C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[N@@H+](C)C1CC1	ZINC000727741942	1076216714	/nfs/dbraw/zinc/21/67/14/1076216714.db2.gz	RXFLFWVYDCFXBO-CYBMUJFWSA-N	1	1	415.943	1.573	20	0		HDADMO
O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727766713	1076220710	/nfs/dbraw/zinc/22/07/10/1076220710.db2.gz	DWLFYKLBJLQMCY-LPHOPBHVSA-N	1	1	400.504	1.497	20	0		HDADMO
O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=S)NC2CCOCC2)c1	ZINC000727782846	1076234653	/nfs/dbraw/zinc/23/46/53/1076234653.db2.gz	COQOWSYEGLUNIC-UHFFFAOYSA-N	1	1	406.552	1.491	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)C2)no1	ZINC000533132902	1076241659	/nfs/dbraw/zinc/24/16/59/1076241659.db2.gz	LHCSOBCNFBMHKJ-HOTGVXAUSA-N	1	1	418.498	1.660	20	0		HDADMO
C[NH+](C)CCn1ccc(=NC(=O)C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH]1	ZINC000533456693	1076243317	/nfs/dbraw/zinc/24/33/17/1076243317.db2.gz	VZEPLRAXQNBAHW-SFHVURJKSA-N	1	1	417.485	1.152	20	0		HDADMO
COCC(=O)NCCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC001299311937	1076244525	/nfs/dbraw/zinc/24/45/25/1076244525.db2.gz	SXODIEYUCCQDNJ-UHFFFAOYSA-N	1	1	412.328	1.682	20	0		HDADMO
CN1Cc2ccccc2[C@H](NC(=O)COCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1	ZINC000533833755	1076246115	/nfs/dbraw/zinc/24/61/15/1076246115.db2.gz	ZCLCOQUKTZKWNT-FGZHOGPDSA-N	1	1	422.529	1.609	20	0		HDADMO
CN1Cc2ccccc2[C@H](NC(=O)COCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1	ZINC000533833755	1076246120	/nfs/dbraw/zinc/24/61/20/1076246120.db2.gz	ZCLCOQUKTZKWNT-FGZHOGPDSA-N	1	1	422.529	1.609	20	0		HDADMO
COCC(COC)N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1	ZINC001299317520	1076246848	/nfs/dbraw/zinc/24/68/48/1076246848.db2.gz	AVMZSVKCRWOIGI-FQEVSTJZSA-N	1	1	407.580	1.582	20	0		HDADMO
CN(CCNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)S(=O)(=O)c1cccs1	ZINC000534531281	1076247900	/nfs/dbraw/zinc/24/79/00/1076247900.db2.gz	QYQNSKQZBGZREK-INIZCTEOSA-N	1	1	408.549	1.855	20	0		HDADMO
CN(CCNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)S(=O)(=O)c1cccs1	ZINC000534531281	1076247905	/nfs/dbraw/zinc/24/79/05/1076247905.db2.gz	QYQNSKQZBGZREK-INIZCTEOSA-N	1	1	408.549	1.855	20	0		HDADMO
CN1CCN(C(=O)CC2CCN(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1	ZINC000534559005	1076248368	/nfs/dbraw/zinc/24/83/68/1076248368.db2.gz	BTDVQJDSAOSTCI-NRFANRHFSA-N	1	1	413.566	1.759	20	0		HDADMO
CN1CCN(C(=O)CC2CCN(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1	ZINC000534559005	1076248371	/nfs/dbraw/zinc/24/83/71/1076248371.db2.gz	BTDVQJDSAOSTCI-NRFANRHFSA-N	1	1	413.566	1.759	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1	ZINC000534560096	1076248930	/nfs/dbraw/zinc/24/89/30/1076248930.db2.gz	TZFSFPWGZPITOW-LAUBAEHRSA-N	1	1	424.501	1.797	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1	ZINC000534560096	1076248932	/nfs/dbraw/zinc/24/89/32/1076248932.db2.gz	TZFSFPWGZPITOW-LAUBAEHRSA-N	1	1	424.501	1.797	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C1	ZINC000535274529	1076251250	/nfs/dbraw/zinc/25/12/50/1076251250.db2.gz	DNOBGRAITCBPTQ-SFHVURJKSA-N	1	1	402.454	1.927	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C1	ZINC000535274529	1076251255	/nfs/dbraw/zinc/25/12/55/1076251255.db2.gz	DNOBGRAITCBPTQ-SFHVURJKSA-N	1	1	402.454	1.927	20	0		HDADMO
C[C@H]1CN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCN1c1nccn2cnnc12	ZINC000536025838	1076253714	/nfs/dbraw/zinc/25/37/14/1076253714.db2.gz	BLTGGMXADBJKJP-YJBOKZPZSA-N	1	1	406.494	1.531	20	0		HDADMO
C[C@H]1CN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCN1c1nccn2cnnc12	ZINC000536025838	1076253721	/nfs/dbraw/zinc/25/37/21/1076253721.db2.gz	BLTGGMXADBJKJP-YJBOKZPZSA-N	1	1	406.494	1.531	20	0		HDADMO
CN(c1ncnc2c1c(Br)nn2C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000733893541	1076254804	/nfs/dbraw/zinc/25/48/04/1076254804.db2.gz	BMCHPRGXFHHYIJ-ZDUSSCGKSA-N	1	1	408.348	1.731	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000536081109	1076255621	/nfs/dbraw/zinc/25/56/21/1076255621.db2.gz	XQHNITPBYPQMNX-IBGZPJMESA-N	1	1	401.488	1.470	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000536081109	1076255627	/nfs/dbraw/zinc/25/56/27/1076255627.db2.gz	XQHNITPBYPQMNX-IBGZPJMESA-N	1	1	401.488	1.470	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000536080814	1076255679	/nfs/dbraw/zinc/25/56/79/1076255679.db2.gz	AEMRCCZQLSDYAG-FQEVSTJZSA-N	1	1	415.515	1.861	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000536080814	1076255684	/nfs/dbraw/zinc/25/56/84/1076255684.db2.gz	AEMRCCZQLSDYAG-FQEVSTJZSA-N	1	1	415.515	1.861	20	0		HDADMO
Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)N1CCCOCC1	ZINC000536741439	1076256925	/nfs/dbraw/zinc/25/69/25/1076256925.db2.gz	FGKAKMCIRSGJHO-LJQANCHMSA-N	1	1	411.506	1.826	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1	ZINC000727806717	1076259986	/nfs/dbraw/zinc/25/99/86/1076259986.db2.gz	AQDZFSQNMWYWNW-UHFFFAOYSA-N	1	1	413.515	1.403	20	0		HDADMO
CC(C)[N@H+]1CCCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1	ZINC000727832007	1076264290	/nfs/dbraw/zinc/26/42/90/1076264290.db2.gz	LOCVHPPEXWYSTR-QFIPXVFZSA-N	1	1	415.538	1.377	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1	ZINC000733975223	1076280516	/nfs/dbraw/zinc/28/05/16/1076280516.db2.gz	KLWYSAXYJCJYIK-GOSISDBHSA-N	1	1	418.538	1.403	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000728067717	1076315736	/nfs/dbraw/zinc/31/57/36/1076315736.db2.gz	YGGSEKOSCVJTTR-XUKORKDYSA-N	1	1	424.611	1.647	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000728067717	1076315739	/nfs/dbraw/zinc/31/57/39/1076315739.db2.gz	YGGSEKOSCVJTTR-XUKORKDYSA-N	1	1	424.611	1.647	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)CC2)c(F)c1	ZINC000728053452	1076320996	/nfs/dbraw/zinc/32/09/96/1076320996.db2.gz	KWVNMFUOPOYWPC-GOSISDBHSA-N	1	1	419.497	1.762	20	0		HDADMO
C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000728054195	1076321907	/nfs/dbraw/zinc/32/19/07/1076321907.db2.gz	WSZZXMCZQUMIOU-KBPBESRZSA-N	1	1	405.451	1.579	20	0		HDADMO
COc1ccc(CN2CCCN(C(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)CC2)cc1	ZINC000728054121	1076322127	/nfs/dbraw/zinc/32/21/27/1076322127.db2.gz	VMNMTWVOBPBPKX-HXUWFJFHSA-N	1	1	417.550	1.814	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(Cc2ccccc2OC)CC1	ZINC000728055985	1076323303	/nfs/dbraw/zinc/32/33/03/1076323303.db2.gz	VPUNVRFZZWWXJK-XSFVSMFZSA-N	1	1	419.547	1.793	20	0		HDADMO
COC(=O)/C=C1/SCC(=O)N1CCCN1CC[NH+](Cc2ccccc2OC)CC1	ZINC000728055985	1076323307	/nfs/dbraw/zinc/32/33/07/1076323307.db2.gz	VPUNVRFZZWWXJK-XSFVSMFZSA-N	1	1	419.547	1.793	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000728073728	1076333264	/nfs/dbraw/zinc/33/32/64/1076333264.db2.gz	XSWKVLCMRUKJQF-DWDUUHQUSA-N	1	1	410.584	1.303	20	0		HDADMO
CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)OC(C)(C)C	ZINC000804255687	1076344931	/nfs/dbraw/zinc/34/49/31/1076344931.db2.gz	FYNFGENAIILLPX-QZTJIDSGSA-N	1	1	418.538	1.921	20	0		HDADMO
CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(=O)OC(C)(C)C	ZINC000804255688	1076344964	/nfs/dbraw/zinc/34/49/64/1076344964.db2.gz	FYNFGENAIILLPX-ROUUACIJSA-N	1	1	418.538	1.921	20	0		HDADMO
CCOC(=O)Nc1ccc2c(C[NH+]3CCC(S(N)(=O)=O)CC3)cc(=O)oc2c1	ZINC000728152674	1076348634	/nfs/dbraw/zinc/34/86/34/1076348634.db2.gz	JTROAVPSSNCNEF-UHFFFAOYSA-N	1	1	409.464	1.614	20	0		HDADMO
O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)NC[C@H]1COc2ccccc2O1	ZINC000025830224	1076355195	/nfs/dbraw/zinc/35/51/95/1076355195.db2.gz	SVLXJNFHFLPTMJ-IBGZPJMESA-N	1	1	409.486	1.837	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C	ZINC000028011536	1076360914	/nfs/dbraw/zinc/36/09/14/1076360914.db2.gz	GZXGDAJVWAIKHN-GOSISDBHSA-N	1	1	411.568	1.445	20	0		HDADMO
Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)CC1	ZINC000728172292	1076364463	/nfs/dbraw/zinc/36/44/63/1076364463.db2.gz	AREUPRWYASYKFF-HXUWFJFHSA-N	1	1	415.534	1.943	20	0		HDADMO
Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C2OCCO2)CC1	ZINC000728172292	1076364470	/nfs/dbraw/zinc/36/44/70/1076364470.db2.gz	AREUPRWYASYKFF-HXUWFJFHSA-N	1	1	415.534	1.943	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)c1	ZINC000728173153	1076364567	/nfs/dbraw/zinc/36/45/67/1076364567.db2.gz	PVMJQDUYCXYRNS-GAJHUEQPSA-N	1	1	422.485	1.983	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)c1	ZINC000728173153	1076364572	/nfs/dbraw/zinc/36/45/72/1076364572.db2.gz	PVMJQDUYCXYRNS-GAJHUEQPSA-N	1	1	422.485	1.983	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@H+](CCn3cnc4ccccc4c3=O)C[C@H]21	ZINC001084531663	1076368993	/nfs/dbraw/zinc/36/89/93/1076368993.db2.gz	XSZHUMKEPCSCHG-ZHBZAHSUSA-N	1	1	420.513	1.353	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@@H+](CCn3cnc4ccccc4c3=O)C[C@H]21	ZINC001084531663	1076369004	/nfs/dbraw/zinc/36/90/04/1076369004.db2.gz	XSZHUMKEPCSCHG-ZHBZAHSUSA-N	1	1	420.513	1.353	20	0		HDADMO
CN(C(=O)/C=C/c1cccc(F)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729981152	1076405812	/nfs/dbraw/zinc/40/58/12/1076405812.db2.gz	XJXMYRNGHWHVNL-VOTSOKGWSA-N	1	1	402.514	1.536	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Cl	ZINC000730087312	1076441818	/nfs/dbraw/zinc/44/18/18/1076441818.db2.gz	UNHDFPCLPQXQEQ-HOTGVXAUSA-N	1	1	415.943	1.262	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730114150	1076462272	/nfs/dbraw/zinc/46/22/72/1076462272.db2.gz	ICPSJFNDHIIWLC-KRWDZBQOSA-N	1	1	411.591	1.959	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730170958	1076472118	/nfs/dbraw/zinc/47/21/18/1076472118.db2.gz	OBFJOARKTQZGNF-OAHLLOKOSA-N	1	1	404.486	1.285	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(CN3CCCCC3=O)cc2)CC1	ZINC000730219044	1076479993	/nfs/dbraw/zinc/47/99/93/1076479993.db2.gz	UOIGZENVNYHDIT-HXUWFJFHSA-N	1	1	412.534	1.753	20	0		HDADMO
COC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O	ZINC000730251471	1076497932	/nfs/dbraw/zinc/49/79/32/1076497932.db2.gz	HVCUSJXXULOIHJ-HRAATJIYSA-N	1	1	403.479	1.923	20	0		HDADMO
COC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O	ZINC000730251471	1076497944	/nfs/dbraw/zinc/49/79/44/1076497944.db2.gz	HVCUSJXXULOIHJ-HRAATJIYSA-N	1	1	403.479	1.923	20	0		HDADMO
COC(=O)[C@H](C)C[N@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1	ZINC000730254046	1076499531	/nfs/dbraw/zinc/49/95/31/1076499531.db2.gz	KLRWGOSWXYMIGP-SZNDQCEHSA-N	1	1	403.479	1.779	20	0		HDADMO
COC(=O)[C@H](C)C[N@@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1	ZINC000730254046	1076499537	/nfs/dbraw/zinc/49/95/37/1076499537.db2.gz	KLRWGOSWXYMIGP-SZNDQCEHSA-N	1	1	403.479	1.779	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730261864	1076502522	/nfs/dbraw/zinc/50/25/22/1076502522.db2.gz	HAPBZUFSWAGOGJ-JKSUJKDBSA-N	1	1	404.515	1.113	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000730261864	1076502529	/nfs/dbraw/zinc/50/25/29/1076502529.db2.gz	HAPBZUFSWAGOGJ-JKSUJKDBSA-N	1	1	404.515	1.113	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730262234	1076504204	/nfs/dbraw/zinc/50/42/04/1076504204.db2.gz	PUFCPNWPJVIDTA-IRXDYDNUSA-N	1	1	403.527	1.718	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730262234	1076504211	/nfs/dbraw/zinc/50/42/11/1076504211.db2.gz	PUFCPNWPJVIDTA-IRXDYDNUSA-N	1	1	403.527	1.718	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730262567	1076504257	/nfs/dbraw/zinc/50/42/57/1076504257.db2.gz	WHPWCFPDFYAAOM-HOTGVXAUSA-N	1	1	420.510	1.552	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730262567	1076504266	/nfs/dbraw/zinc/50/42/66/1076504266.db2.gz	WHPWCFPDFYAAOM-HOTGVXAUSA-N	1	1	420.510	1.552	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730263434	1076505201	/nfs/dbraw/zinc/50/52/01/1076505201.db2.gz	GBQUCXSLDGUNHS-QGZVFWFLSA-N	1	1	410.559	1.691	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730263434	1076505205	/nfs/dbraw/zinc/50/52/05/1076505205.db2.gz	GBQUCXSLDGUNHS-QGZVFWFLSA-N	1	1	410.559	1.691	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000730264568	1076506611	/nfs/dbraw/zinc/50/66/11/1076506611.db2.gz	UQDFDYJAHDQWIQ-IBGZPJMESA-N	1	1	402.539	1.930	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1	ZINC000730281168	1076512215	/nfs/dbraw/zinc/51/22/15/1076512215.db2.gz	DPQDJBVYOUAABC-SFHVURJKSA-N	1	1	414.506	1.133	20	0		HDADMO
C[NH+](C)CCN1C(=O)C[C@@H](N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O	ZINC000730272498	1076516826	/nfs/dbraw/zinc/51/68/26/1076516826.db2.gz	RGVAXHLHGKEOHE-QZTJIDSGSA-N	1	1	422.570	1.787	20	0		HDADMO
CC[N@@H+]1CCc2nc(NC(=O)Cc3c(C)[nH]c4nn(C)c(=O)c-4c3C)sc2C1	ZINC000730275035	1076518062	/nfs/dbraw/zinc/51/80/62/1076518062.db2.gz	PNZJQDNUQORVLV-UHFFFAOYSA-N	1	1	400.508	1.894	20	0		HDADMO
CC[N@H+]1CCc2nc(NC(=O)Cc3c(C)[nH]c4nn(C)c(=O)c-4c3C)sc2C1	ZINC000730275035	1076518063	/nfs/dbraw/zinc/51/80/63/1076518063.db2.gz	PNZJQDNUQORVLV-UHFFFAOYSA-N	1	1	400.508	1.894	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000730279651	1076520660	/nfs/dbraw/zinc/52/06/60/1076520660.db2.gz	PEGSUAXHJFNNNL-UHFFFAOYSA-N	1	1	423.517	1.934	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1	ZINC000730313959	1076528548	/nfs/dbraw/zinc/52/85/48/1076528548.db2.gz	YHVMWTFCPDGHHU-FUHWJXTLSA-N	1	1	419.547	1.747	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1=O	ZINC000730293787	1076531081	/nfs/dbraw/zinc/53/10/81/1076531081.db2.gz	PJJMNKOXPPEJPI-IXDOHACOSA-N	1	1	408.543	1.445	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1=O	ZINC000730293788	1076531166	/nfs/dbraw/zinc/53/11/66/1076531166.db2.gz	PJJMNKOXPPEJPI-YESZJQIVSA-N	1	1	408.543	1.445	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000730317830	1076535412	/nfs/dbraw/zinc/53/54/12/1076535412.db2.gz	PREJJTYWWACCPC-CGTJXYLNSA-N	1	1	419.547	1.620	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000730381829	1076553119	/nfs/dbraw/zinc/55/31/19/1076553119.db2.gz	AAVGWNMXDZWBBS-SJORKVTESA-N	1	1	422.551	1.846	20	0		HDADMO
Cc1nc(-c2ccccn2)nc(NNC(=S)NCCC[NH+]2CCOCC2)c1C	ZINC000730439099	1076577832	/nfs/dbraw/zinc/57/78/32/1076577832.db2.gz	XDAGYFKIQQQOLT-UHFFFAOYSA-N	1	1	401.540	1.669	20	0		HDADMO
Cn1ccnc1[C@@](O)(CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C(F)(F)F	ZINC000730560350	1076594575	/nfs/dbraw/zinc/59/45/75/1076594575.db2.gz	WBJWWDQLNDUVCM-YJBOKZPZSA-N	1	1	417.476	1.189	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000730559941	1076595037	/nfs/dbraw/zinc/59/50/37/1076595037.db2.gz	OJTWOTVMFUITAV-NHHWLVAYSA-N	1	1	420.579	1.700	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000730559573	1076595180	/nfs/dbraw/zinc/59/51/80/1076595180.db2.gz	HHYDGUMGDNOJDG-MHCKTMCQSA-N	1	1	408.612	1.873	20	0		HDADMO
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1)O[C@H](C)C2	ZINC000730585511	1076608901	/nfs/dbraw/zinc/60/89/01/1076608901.db2.gz	GUNFXWCJLVIKSC-SKDZVZGDSA-N	1	1	401.507	1.578	20	0		HDADMO
COc1cc(F)c(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1OC	ZINC000730679878	1076636720	/nfs/dbraw/zinc/63/67/20/1076636720.db2.gz	LLUUOBFBLKZYMX-UHFFFAOYSA-N	1	1	413.409	1.987	20	0		HDADMO
O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000730774231	1076649655	/nfs/dbraw/zinc/64/96/55/1076649655.db2.gz	SSYZRNFCCRUOQZ-KRWDZBQOSA-N	1	1	406.552	1.772	20	0		HDADMO
O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000730774079	1076649822	/nfs/dbraw/zinc/64/98/22/1076649822.db2.gz	SJYVLSPJVYSGFZ-BBWFWOEESA-N	1	1	420.897	1.524	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1	ZINC000730787010	1076657832	/nfs/dbraw/zinc/65/78/32/1076657832.db2.gz	JUXHPTCAXKBOLM-MRXNPFEDSA-N	1	1	413.515	1.451	20	0		HDADMO
COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000730813179	1076667782	/nfs/dbraw/zinc/66/77/82/1076667782.db2.gz	ZLQNHJJVDVODMB-VXGBXAGGSA-N	1	1	423.304	1.738	20	0		HDADMO
COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000730813179	1076667784	/nfs/dbraw/zinc/66/77/84/1076667784.db2.gz	ZLQNHJJVDVODMB-VXGBXAGGSA-N	1	1	423.304	1.738	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1	ZINC000730935316	1076696010	/nfs/dbraw/zinc/69/60/10/1076696010.db2.gz	CJQCMGNCHFTRRK-GDBMZVCRSA-N	1	1	421.519	1.082	20	0		HDADMO
CC(C)(CNC(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)N1CCOCC1	ZINC000731034295	1076715075	/nfs/dbraw/zinc/71/50/75/1076715075.db2.gz	HKSNBUPJEQKNGK-OAQYLSRUSA-N	1	1	407.530	1.798	20	0		HDADMO
COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c(Br)cc1F	ZINC000731038570	1076716282	/nfs/dbraw/zinc/71/62/82/1076716282.db2.gz	FTDIFLFYPMZTFR-SNVBAGLBSA-N	1	1	423.304	1.995	20	0		HDADMO
O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000731134373	1076737166	/nfs/dbraw/zinc/73/71/66/1076737166.db2.gz	JFKKZBGMYGDOAJ-QGZVFWFLSA-N	1	1	404.474	1.960	20	0		HDADMO
C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2)C[C@@H](C)O1	ZINC000731134615	1076737191	/nfs/dbraw/zinc/73/71/91/1076737191.db2.gz	JYIIXOOEMHTCDV-GPMSIDNRSA-N	1	1	400.523	1.839	20	0		HDADMO
CCOC(=O)N(C)C1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1	ZINC000731232749	1076761149	/nfs/dbraw/zinc/76/11/49/1076761149.db2.gz	JVPWHUMKRRXVFA-FUHWJXTLSA-N	1	1	408.543	1.399	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ncn(C)c3Cl)CC2)CC1	ZINC000731216481	1076766372	/nfs/dbraw/zinc/76/63/72/1076766372.db2.gz	MSHSVBLSOYJEQR-UHFFFAOYSA-N	1	1	417.963	1.028	20	0		HDADMO
CNC(=O)Cc1noc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1	ZINC001196104492	1126153570	/nfs/dbraw/zinc/15/35/70/1126153570.db2.gz	MHLIQDOXHSHDGS-QGZVFWFLSA-N	1	1	409.284	1.130	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3C[C@]3([NH3+])C2)c1CN1CC[C@@H](CO)C1	ZINC001164422084	718895798	/nfs/dbraw/zinc/89/57/98/718895798.db2.gz	SQVOIDXISRGDTP-MCFFVMPBSA-N	1	1	401.555	1.808	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3ncnc4nc(Cl)ccc43)CC2)C1=O	ZINC001164636620	719270031	/nfs/dbraw/zinc/27/00/31/719270031.db2.gz	VSCLAUFENCTGFM-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4nc(Cl)ccc43)CC2)C1=O	ZINC001164636620	719270034	/nfs/dbraw/zinc/27/00/34/719270034.db2.gz	VSCLAUFENCTGFM-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3ncnc4[nH]c5ccccc5c43)CC2)C1=O	ZINC001164640203	719275825	/nfs/dbraw/zinc/27/58/25/719275825.db2.gz	OYZFZIOBDAZCOG-UHFFFAOYSA-N	1	1	408.506	1.871	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4[nH]c5ccccc5c43)CC2)C1=O	ZINC001164640203	719275830	/nfs/dbraw/zinc/27/58/30/719275830.db2.gz	OYZFZIOBDAZCOG-UHFFFAOYSA-N	1	1	408.506	1.871	20	0		HDADMO
C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@H]21	ZINC001164674840	719441073	/nfs/dbraw/zinc/44/10/73/719441073.db2.gz	XQDRAFPXXLFDFA-HZPDHXFCSA-N	1	1	415.563	1.531	20	0		HDADMO
C[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)C[C@@H]21	ZINC001164668121	719460382	/nfs/dbraw/zinc/46/03/82/719460382.db2.gz	OAVFXLQHRJPUKR-DLBZAZTESA-N	1	1	410.446	1.680	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2nc(Cl)ccc21	ZINC001164707120	719844413	/nfs/dbraw/zinc/84/44/13/719844413.db2.gz	ZLCVNKZGCISBRM-BFUOFWGJSA-N	1	1	405.886	1.911	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)ccc21	ZINC001164705596	719854579	/nfs/dbraw/zinc/85/45/79/719854579.db2.gz	UQIQPZHTPNUIEA-YCRPNKLZSA-N	1	1	400.479	1.871	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC	ZINC001164701871	719857170	/nfs/dbraw/zinc/85/71/70/719857170.db2.gz	LIASVHKQACVAIY-HRAATJIYSA-N	1	1	417.510	1.310	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)N3CCOCC3)cn1)C2	ZINC001164813185	720075168	/nfs/dbraw/zinc/07/51/68/720075168.db2.gz	SXIDBRNHDFCFBZ-REWPJTCUSA-N	1	1	414.550	1.739	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)C2	ZINC001164816812	720186595	/nfs/dbraw/zinc/18/65/95/720186595.db2.gz	MUXJJFSKTVSDHW-SPEDKVCISA-N	1	1	414.554	1.115	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)OC(C)(C)C)ccn3)C2)C1	ZINC001164720338	720220310	/nfs/dbraw/zinc/22/03/10/720220310.db2.gz	YTMYHVVEMBYGLT-JOCHJYFZSA-N	1	1	418.538	1.702	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)OC(C)(C)C)ccn3)C2)C1	ZINC001164720338	720220312	/nfs/dbraw/zinc/22/03/12/720220312.db2.gz	YTMYHVVEMBYGLT-JOCHJYFZSA-N	1	1	418.538	1.702	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1	ZINC001164812166	720223890	/nfs/dbraw/zinc/22/38/90/720223890.db2.gz	FUWGTRIXNSEGFN-UHFFFAOYSA-N	1	1	413.522	1.994	20	0		HDADMO
CCOC(=O)c1cc(C)cc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1	ZINC001164716422	720225688	/nfs/dbraw/zinc/22/56/88/720225688.db2.gz	CNAZGGKNKUGQKY-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1cc(C)cc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1	ZINC001164716422	720225698	/nfs/dbraw/zinc/22/56/98/720225698.db2.gz	CNAZGGKNKUGQKY-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cnccc43)C2)C1	ZINC001164719853	720234290	/nfs/dbraw/zinc/23/42/90/720234290.db2.gz	PRWMIMRVCGOSHM-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cnccc43)C2)C1	ZINC001164719853	720234299	/nfs/dbraw/zinc/23/42/99/720234299.db2.gz	PRWMIMRVCGOSHM-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CCOC(=O)Cc1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1	ZINC001164818107	720245663	/nfs/dbraw/zinc/24/56/63/720245663.db2.gz	XIANEQUZENZPPR-UHFFFAOYSA-N	1	1	413.522	1.994	20	0		HDADMO
CC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2CNC3)nc1	ZINC001164816750	720249532	/nfs/dbraw/zinc/24/95/32/720249532.db2.gz	MATQZFODDYDELG-SFHVURJKSA-N	1	1	410.522	1.890	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2CNC3)nc1	ZINC001164816750	720249539	/nfs/dbraw/zinc/24/95/39/720249539.db2.gz	MATQZFODDYDELG-SFHVURJKSA-N	1	1	410.522	1.890	20	0		HDADMO
CCOc1ccc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2c1	ZINC001164720472	720256950	/nfs/dbraw/zinc/25/69/50/720256950.db2.gz	WXFLQDVTMHAQCG-JOCHJYFZSA-N	1	1	413.522	1.693	20	0		HDADMO
CCOc1ccc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2c1	ZINC001164720472	720256961	/nfs/dbraw/zinc/25/69/61/720256961.db2.gz	WXFLQDVTMHAQCG-JOCHJYFZSA-N	1	1	413.522	1.693	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4nc(C)no4)ccn3)C2)C1	ZINC001164721253	720292723	/nfs/dbraw/zinc/29/27/23/720292723.db2.gz	IPEVGOCMZNTZTO-HXUWFJFHSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4nc(C)no4)ccn3)C2)C1	ZINC001164721253	720292733	/nfs/dbraw/zinc/29/27/33/720292733.db2.gz	IPEVGOCMZNTZTO-HXUWFJFHSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccnc(Cc4ccccc4)n3)C2)C1	ZINC001164721579	720294257	/nfs/dbraw/zinc/29/42/57/720294257.db2.gz	LIDVNFSTGMUMDP-QHCPKHFHSA-N	1	1	409.534	1.732	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccnc(Cc4ccccc4)n3)C2)C1	ZINC001164721579	720294264	/nfs/dbraw/zinc/29/42/64/720294264.db2.gz	LIDVNFSTGMUMDP-QHCPKHFHSA-N	1	1	409.534	1.732	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccn4)nc(C)c3C)C2)C1	ZINC001164722196	720297735	/nfs/dbraw/zinc/29/77/35/720297735.db2.gz	OPHOXNSLPNHBHJ-QHCPKHFHSA-N	1	1	424.549	1.820	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccn4)nc(C)c3C)C2)C1	ZINC001164722196	720297741	/nfs/dbraw/zinc/29/77/41/720297741.db2.gz	OPHOXNSLPNHBHJ-QHCPKHFHSA-N	1	1	424.549	1.820	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(OCC4CCCC4)n3)C2)C1	ZINC001164721968	720307001	/nfs/dbraw/zinc/30/70/01/720307001.db2.gz	JIARNIPUGNTVCX-JOCHJYFZSA-N	1	1	417.554	1.710	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(OCC4CCCC4)n3)C2)C1	ZINC001164721968	720307004	/nfs/dbraw/zinc/30/70/04/720307004.db2.gz	JIARNIPUGNTVCX-JOCHJYFZSA-N	1	1	417.554	1.710	20	0		HDADMO
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ccc(C[N@@H+](C)C3CC3)cn2)O1	ZINC001164723076	720324023	/nfs/dbraw/zinc/32/40/23/720324023.db2.gz	GWKOYFPXKYGLJS-ZCNNSNEGSA-N	1	1	402.539	1.907	20	0		HDADMO
c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1	ZINC001164735402	720426458	/nfs/dbraw/zinc/42/64/58/720426458.db2.gz	XAAUZBKOTRNRGA-UXHICEINSA-N	1	1	407.522	1.165	20	0		HDADMO
O=C(NC1CCOCC1)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1	ZINC001164734429	720458448	/nfs/dbraw/zinc/45/84/48/720458448.db2.gz	SBBHRUKPWODFEZ-UXHICEINSA-N	1	1	408.506	1.634	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(C(N)=O)n3)CC[C@@H]21	ZINC001164834295	720529189	/nfs/dbraw/zinc/52/91/89/720529189.db2.gz	DHFGMARDIVUDCH-YCPHGPKFSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164836803	720569309	/nfs/dbraw/zinc/56/93/09/720569309.db2.gz	KYFGBRRLUWGDHY-SLFFLAALSA-N	1	1	411.554	1.888	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(S(N)(=O)=O)ccn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164841591	720625134	/nfs/dbraw/zinc/62/51/34/720625134.db2.gz	TXGVQGQCTBNBJR-SOLBZPMBSA-N	1	1	404.540	1.303	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164839845	720632535	/nfs/dbraw/zinc/63/25/35/720632535.db2.gz	OWCYWOKIRQFJHN-GUDVDZBRSA-N	1	1	407.526	1.940	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(S(N)(=O)=O)n3)CC[C@@H]21	ZINC001164843238	720647367	/nfs/dbraw/zinc/64/73/67/720647367.db2.gz	VSASUMQXMSCPQL-ULQDDVLXSA-N	1	1	404.540	1.303	20	0		HDADMO
CC(C)(C)OC(=O)Nc1nccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164738100	720665831	/nfs/dbraw/zinc/66/58/31/720665831.db2.gz	IJLMVOAOJRUZSP-LSDHHAIUSA-N	1	1	413.482	1.956	20	0		HDADMO
CSc1nc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2s1	ZINC001164737210	720732565	/nfs/dbraw/zinc/73/25/65/720732565.db2.gz	AXIASWDSPMUHGM-NEPJUHHUSA-N	1	1	401.521	1.940	20	0		HDADMO
COC(=O)CSc1cccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164742817	720743438	/nfs/dbraw/zinc/74/34/38/720743438.db2.gz	OMILWAMESSATTC-HUUCEWRRSA-N	1	1	401.492	1.479	20	0		HDADMO
COC(=O)CSc1cccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164742813	720744406	/nfs/dbraw/zinc/74/44/06/720744406.db2.gz	OMILWAMESSATTC-GJZGRUSLSA-N	1	1	401.492	1.479	20	0		HDADMO
FC(F)(COc1cncc(Cl)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164738995	720770307	/nfs/dbraw/zinc/77/03/07/720770307.db2.gz	HIBNSKJMADSHGN-STQMWFEESA-N	1	1	412.828	1.729	20	0		HDADMO
Clc1cc(O[C@@H]2CCOC2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164743503	720804466	/nfs/dbraw/zinc/80/44/66/720804466.db2.gz	GEXLUDUOQUMVKT-RBSFLKMASA-N	1	1	418.885	1.430	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164747911	720806209	/nfs/dbraw/zinc/80/62/09/720806209.db2.gz	PSBFIWPVAXLQBE-OLZOCXBDSA-N	1	1	403.874	1.012	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1	ZINC001164742161	720812175	/nfs/dbraw/zinc/81/21/75/720812175.db2.gz	CJXGTAFWKSNSDR-BRWVUGGUSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164743054	720834698	/nfs/dbraw/zinc/83/46/98/720834698.db2.gz	IJIXMWDKWHQEBH-RBSFLKMASA-N	1	1	416.917	1.200	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CCCCC3)CC[C@H]2C1	ZINC001164856549	720836117	/nfs/dbraw/zinc/83/61/17/720836117.db2.gz	WTWYCQUFFYPKGT-ICSRJNTNSA-N	1	1	402.539	1.881	20	0		HDADMO
c1cn(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cn1	ZINC001164748940	720837562	/nfs/dbraw/zinc/83/75/62/720837562.db2.gz	VDKZCHIVSONTLA-CEXWTWQISA-N	1	1	405.510	1.633	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(C(=O)OC)ccc43)CC[C@H]2C1	ZINC001164853693	720838830	/nfs/dbraw/zinc/83/88/30/720838830.db2.gz	OKOYSGNTXHLDNZ-QFBILLFUSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc4c(cccc4C(=O)OC)n3)CC[C@H]2C1	ZINC001164850128	720846498	/nfs/dbraw/zinc/84/64/98/720846498.db2.gz	DKZMZUPAHWIXFP-HNAYVOBHSA-N	1	1	400.479	1.590	20	0		HDADMO
CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@@H]2C1	ZINC001164856664	720854510	/nfs/dbraw/zinc/85/45/10/720854510.db2.gz	OVJPJMTWKJQYNV-FUHWJXTLSA-N	1	1	404.511	1.704	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c2c1	ZINC001164856832	720855443	/nfs/dbraw/zinc/85/54/43/720855443.db2.gz	POCVGBRXIDGTOI-PXNSSMCTSA-N	1	1	414.506	1.980	20	0		HDADMO
CCc1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164853619	720865852	/nfs/dbraw/zinc/86/58/52/720865852.db2.gz	HVICTRNQPZAMRN-IEBWSBKVSA-N	1	1	405.543	1.049	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc(Cl)c(C(=O)OC)c3OC)CC[C@H]2C1	ZINC001164862194	720870418	/nfs/dbraw/zinc/87/04/18/720870418.db2.gz	ZKIDVKKICGVBNF-ZFWWWQNUSA-N	1	1	413.902	1.704	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4[nH]cc(C(=O)OC)c43)CC[C@@H]2C1	ZINC001164862952	720872070	/nfs/dbraw/zinc/87/20/70/720872070.db2.gz	SDOOZHQFMFXVGP-OCCSQVGLSA-N	1	1	423.901	1.571	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)Nc3cc(C)on3)CC[C@H]2C1	ZINC001164856760	720873727	/nfs/dbraw/zinc/87/37/27/720873727.db2.gz	JDXGYWUUJRLBRP-FUHWJXTLSA-N	1	1	415.494	1.804	20	0		HDADMO
NC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164753308	720876584	/nfs/dbraw/zinc/87/65/84/720876584.db2.gz	OTIOZPQQWZATCE-XXBNENTESA-N	1	1	422.533	1.726	20	0		HDADMO
NC(=O)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867796	721066352	/nfs/dbraw/zinc/06/63/52/721066352.db2.gz	KLRXDRHIOBFZEF-UONOGXRCSA-N	1	1	405.861	1.848	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001164876540	721139877	/nfs/dbraw/zinc/13/98/77/721139877.db2.gz	NBEPHDWQZBVTPB-ZWKOTPCHSA-N	1	1	417.535	1.207	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164772222	721160705	/nfs/dbraw/zinc/16/07/05/721160705.db2.gz	UKXBCSRNHHTMRV-DLBZAZTESA-N	1	1	404.540	1.072	20	0		HDADMO
c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@H+]3C2)c1	ZINC001164880983	721170164	/nfs/dbraw/zinc/17/01/64/721170164.db2.gz	YOQQMWAOYIXYFW-MOPGFXCFSA-N	1	1	412.563	1.905	20	0		HDADMO
COC(OC)c1c(CO)ccnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164772356	721174332	/nfs/dbraw/zinc/17/43/32/721174332.db2.gz	SWTWTYPTCWBUJN-SJLPKXTDSA-N	1	1	401.511	1.557	20	0		HDADMO
COCCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164869777	721179923	/nfs/dbraw/zinc/17/99/23/721179923.db2.gz	BINPRFFOTGMMLS-WOJBJXKFSA-N	1	1	412.490	1.760	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164866503	721194872	/nfs/dbraw/zinc/19/48/72/721194872.db2.gz	BPXQYIZBSLOGMI-MSOLQXFVSA-N	1	1	402.520	1.750	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164866503	721194876	/nfs/dbraw/zinc/19/48/76/721194876.db2.gz	BPXQYIZBSLOGMI-MSOLQXFVSA-N	1	1	402.520	1.750	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1	ZINC001164769453	721195364	/nfs/dbraw/zinc/19/53/64/721195364.db2.gz	MMIWJAFYROAKEQ-SJORKVTESA-N	1	1	404.540	1.024	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@@H]3C2)cn1	ZINC001164773316	721207787	/nfs/dbraw/zinc/20/77/87/721207787.db2.gz	WEMAMKSMRPBBGP-RTWAWAEBSA-N	1	1	404.518	1.983	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc(N(C)C)n3)CC2)C1	ZINC001164878270	721261167	/nfs/dbraw/zinc/26/11/67/721261167.db2.gz	UBYMXDLJCTWODG-UHFFFAOYSA-N	1	1	410.950	1.203	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4nc[nH]c43)CC2)C1	ZINC001164878263	721261875	/nfs/dbraw/zinc/26/18/75/721261875.db2.gz	UBNNRVYPUADLDS-UHFFFAOYSA-N	1	1	407.906	1.013	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(Cl)nn3)CC2)C1	ZINC001164868537	721266016	/nfs/dbraw/zinc/26/60/16/721266016.db2.gz	AZGNWAVYUFCQAI-UHFFFAOYSA-N	1	1	417.888	1.682	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@H](F)Oc3cccc(Cl)n3)CC2)C1	ZINC001164869848	721273607	/nfs/dbraw/zinc/27/36/07/721273607.db2.gz	PZRTZEKTIWLXRT-SFHVURJKSA-N	1	1	414.909	1.870	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(OC(C)(C)C)n3)CC2)C1	ZINC001164875494	721273940	/nfs/dbraw/zinc/27/39/40/721273940.db2.gz	WMIUEADVVZBGNN-UHFFFAOYSA-N	1	1	405.543	1.661	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1	ZINC001164870354	721273965	/nfs/dbraw/zinc/27/39/65/721273965.db2.gz	WUQPXGSVMWGJNU-UHFFFAOYSA-N	1	1	418.538	1.194	20	0		HDADMO
COC(=O)c1ccc(Cl)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1	ZINC001164872304	721275773	/nfs/dbraw/zinc/27/57/73/721275773.db2.gz	BTGICNQWFQGOCP-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3Cc4cncn4C[C@H](COc4cccnc4)C3)n2)CC1	ZINC001164766197	721276442	/nfs/dbraw/zinc/27/64/42/721276442.db2.gz	ACHYKAZJOAKTKC-GOSISDBHSA-N	1	1	420.521	1.535	20	0		HDADMO
CN(C)C(=O)CN1CCOCC2(CCN(c3cc(Cl)nc4c3CC[NH2+]C4)CC2)C1	ZINC001164872839	721281777	/nfs/dbraw/zinc/28/17/77/721281777.db2.gz	GCSLQBNQNFAWGV-UHFFFAOYSA-N	1	1	421.973	1.388	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccc(Cl)nc4[nH]3)CC2)C1	ZINC001164872376	721281968	/nfs/dbraw/zinc/28/19/68/721281968.db2.gz	CFECFXCNGDLVGS-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(-c2ccccn2)n1	ZINC001164875566	721283935	/nfs/dbraw/zinc/28/39/35/721283935.db2.gz	XGUPGJNARQDVDT-UHFFFAOYSA-N	1	1	424.549	1.854	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1	ZINC001164886767	721382740	/nfs/dbraw/zinc/38/27/40/721382740.db2.gz	GDXNILMHEHFHIL-IFXJQAMLSA-N	1	1	405.934	1.772	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164886176	721384848	/nfs/dbraw/zinc/38/48/48/721384848.db2.gz	DPGLWDLCXNSMGV-LAUBAEHRSA-N	1	1	406.502	1.773	20	0		HDADMO
CC(C)OC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164887321	721394638	/nfs/dbraw/zinc/39/46/38/721394638.db2.gz	HQCDQRXOEADXHY-PGRDOPGGSA-N	1	1	417.554	1.807	20	0		HDADMO
CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncn1	ZINC001164892291	721399406	/nfs/dbraw/zinc/39/94/06/721399406.db2.gz	SSTGQILFTZJCMG-UTKZUKDTSA-N	1	1	403.527	1.419	20	0		HDADMO
Clc1ncc(N2CCOCC2)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1	ZINC001164789013	721411387	/nfs/dbraw/zinc/41/13/87/721411387.db2.gz	UIUDIPAMWUFEEN-KBPBESRZSA-N	1	1	406.943	1.991	20	0		HDADMO
Cc1cn(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)cn1	ZINC001164883724	721424573	/nfs/dbraw/zinc/42/45/73/721424573.db2.gz	BXBLULRDWWZXAH-KNQAVFIVSA-N	1	1	411.554	1.736	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164890264	721426136	/nfs/dbraw/zinc/42/61/36/721426136.db2.gz	CWTBTIRSVMXUNJ-AVRDEDQJSA-N	1	1	417.554	1.480	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)C3)O2)CC1	ZINC001164897623	721430321	/nfs/dbraw/zinc/43/03/21/721430321.db2.gz	UJUKOKZEUCVUQZ-KSFYIVLOSA-N	1	1	414.554	1.472	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164897149	721441910	/nfs/dbraw/zinc/44/19/10/721441910.db2.gz	SQELMDQODCJEJB-SIKLNZKXSA-N	1	1	417.554	1.480	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4NC(=O)CS5)C3)O2)CC1	ZINC001164892029	721450960	/nfs/dbraw/zinc/45/09/60/721450960.db2.gz	VUFWCIVKGIWBSQ-YWZLYKJASA-N	1	1	418.567	1.286	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(N)=O)ccn1)CC2	ZINC001164789439	721451441	/nfs/dbraw/zinc/45/14/41/721451441.db2.gz	WEFGTGYRZOLJEU-LJQANCHMSA-N	1	1	402.539	1.914	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164887091	721451776	/nfs/dbraw/zinc/45/17/76/721451776.db2.gz	IRTPSDGMJKUEEH-QRWLVFNGSA-N	1	1	422.961	1.255	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164889144	721453614	/nfs/dbraw/zinc/45/36/14/721453614.db2.gz	NXRNIOJMNCJISC-NQIIRXRSSA-N	1	1	422.595	1.641	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(N)=O)cn1)CC2	ZINC001164785925	721455284	/nfs/dbraw/zinc/45/52/84/721455284.db2.gz	IQDVFXJYAGUMBY-IBGZPJMESA-N	1	1	402.539	1.914	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C	ZINC001164907129	721536929	/nfs/dbraw/zinc/53/69/29/721536929.db2.gz	MFPLIPYHNLSPRD-FRFSOERESA-N	1	1	412.469	1.734	20	0		HDADMO
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@@H]12	ZINC001164806632	721537567	/nfs/dbraw/zinc/53/75/67/721537567.db2.gz	PJPCWZWIAOUFLZ-WOIUINJBSA-N	1	1	409.538	1.149	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@H]2CCCO[C@H]12	ZINC001164808423	721545790	/nfs/dbraw/zinc/54/57/90/721545790.db2.gz	SBQVLTPKIMMIEP-UXLLHSPISA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@H]2CCCO[C@H]12	ZINC001164808423	721545792	/nfs/dbraw/zinc/54/57/92/721545792.db2.gz	SBQVLTPKIMMIEP-UXLLHSPISA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@@H]2CCCO[C@@H]12	ZINC001164808421	721546101	/nfs/dbraw/zinc/54/61/01/721546101.db2.gz	SBQVLTPKIMMIEP-BFYDXBDKSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@@H]2CCCO[C@@H]12	ZINC001164808421	721546103	/nfs/dbraw/zinc/54/61/03/721546103.db2.gz	SBQVLTPKIMMIEP-BFYDXBDKSA-N	1	1	402.886	1.492	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1	ZINC001164903132	721552426	/nfs/dbraw/zinc/55/24/26/721552426.db2.gz	AVTNRZFURPHTEC-AEFFLSMTSA-N	1	1	420.510	1.813	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@H]2CCCO[C@@H]12	ZINC001164803096	721561670	/nfs/dbraw/zinc/56/16/70/721561670.db2.gz	JJARZOOMNSBKHQ-JJRVBVJISA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@H]2CCCO[C@@H]12	ZINC001164803096	721561672	/nfs/dbraw/zinc/56/16/72/721561672.db2.gz	JJARZOOMNSBKHQ-JJRVBVJISA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@H]2CCCO[C@@H]12	ZINC001164801214	721573511	/nfs/dbraw/zinc/57/35/11/721573511.db2.gz	GLKIAVYSKDCRDE-LZLYRXPVSA-N	1	1	408.506	1.970	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@H]2CCCO[C@@H]12	ZINC001164801214	721573515	/nfs/dbraw/zinc/57/35/15/721573515.db2.gz	GLKIAVYSKDCRDE-LZLYRXPVSA-N	1	1	408.506	1.970	20	0		HDADMO
Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ccnc(N3CC[NH+](C)CC3)n2)C1	ZINC001164808304	721606619	/nfs/dbraw/zinc/60/66/19/721606619.db2.gz	XRLDNDLGIHTWQJ-JOCHJYFZSA-N	1	1	424.553	1.071	20	0		HDADMO
Cc1nc(N2CCCC2)cc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]1	ZINC001164911607	721771239	/nfs/dbraw/zinc/77/12/39/721771239.db2.gz	HTDRYRFFEUITJS-HSZRJFAPSA-N	1	1	424.549	1.888	20	0		HDADMO
Cc1noc(-c2cccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1	ZINC001164914187	721794871	/nfs/dbraw/zinc/79/48/71/721794871.db2.gz	KOOZUJKDWJDWEV-JOCHJYFZSA-N	1	1	422.489	1.943	20	0		HDADMO
Cc1noc(-c2cccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1	ZINC001164914187	721794875	/nfs/dbraw/zinc/79/48/75/721794875.db2.gz	KOOZUJKDWJDWEV-JOCHJYFZSA-N	1	1	422.489	1.943	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(N)(=O)=O)C[C@@H]21	ZINC001165027236	721803097	/nfs/dbraw/zinc/80/30/97/721803097.db2.gz	USJIHMCWEFBNTL-BPQIPLTHSA-N	1	1	401.536	1.861	20	0		HDADMO
COCCN1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@H]2C1=O	ZINC001164920236	721844854	/nfs/dbraw/zinc/84/48/54/721844854.db2.gz	HCGWNJGMOZISGP-WOJBJXKFSA-N	1	1	418.538	1.255	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C	ZINC001164925198	721869438	/nfs/dbraw/zinc/86/94/38/721869438.db2.gz	MXDIFRLQJDRREZ-ZIAGYGMSSA-N	1	1	421.933	1.257	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C	ZINC001164925198	721869440	/nfs/dbraw/zinc/86/94/40/721869440.db2.gz	MXDIFRLQJDRREZ-ZIAGYGMSSA-N	1	1	421.933	1.257	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1C	ZINC001164926599	721876722	/nfs/dbraw/zinc/87/67/22/721876722.db2.gz	SAPJJYZOETWQGQ-KBPBESRZSA-N	1	1	406.918	1.623	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1C	ZINC001164926599	721876723	/nfs/dbraw/zinc/87/67/23/721876723.db2.gz	SAPJJYZOETWQGQ-KBPBESRZSA-N	1	1	406.918	1.623	20	0		HDADMO
C[C@@H]1C(=O)NCCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1	ZINC001165039191	721883019	/nfs/dbraw/zinc/88/30/19/721883019.db2.gz	YGDWKJSLVBKQSZ-HUUCEWRRSA-N	1	1	403.527	1.205	20	0		HDADMO
CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]12	ZINC001164949289	721967741	/nfs/dbraw/zinc/96/77/41/721967741.db2.gz	WQWCUEPQHOFUMO-ZJSXRUAMSA-N	1	1	420.561	1.997	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1	ZINC001164955238	722021611	/nfs/dbraw/zinc/02/16/11/722021611.db2.gz	BGPVRABYLAGXRP-UHFFFAOYSA-N	1	1	401.536	1.877	20	0		HDADMO
CN1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)nn2)CC1	ZINC001164959494	722050949	/nfs/dbraw/zinc/05/09/49/722050949.db2.gz	LFEALLFUXFABJH-SVMVAKDDSA-N	1	1	409.538	1.529	20	0		HDADMO
NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164981794	722103101	/nfs/dbraw/zinc/10/31/01/722103101.db2.gz	MKSKVSYODNMXRR-QAPCUYQASA-N	1	1	401.898	1.956	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1OC	ZINC001164975498	722103961	/nfs/dbraw/zinc/10/39/61/722103961.db2.gz	CAOQNIBOGFQGNZ-IEBWSBKVSA-N	1	1	412.490	1.999	20	0		HDADMO
Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCNC2	ZINC001164984762	722104852	/nfs/dbraw/zinc/10/48/52/722104852.db2.gz	UWYFRSXLZVDEJG-APWZRJJASA-N	1	1	414.941	1.898	20	0		HDADMO
Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCNC2	ZINC001164984762	722104855	/nfs/dbraw/zinc/10/48/55/722104855.db2.gz	UWYFRSXLZVDEJG-APWZRJJASA-N	1	1	414.941	1.898	20	0		HDADMO
NC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164974932	722120000	/nfs/dbraw/zinc/12/00/00/722120000.db2.gz	JCFZAYKNQDANOM-DOTOQJQBSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)n1	ZINC001164971696	722157700	/nfs/dbraw/zinc/15/77/00/722157700.db2.gz	DACJLNKZOZZCOM-PKOBYXMFSA-N	1	1	408.506	1.575	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1OC	ZINC001164973158	722157757	/nfs/dbraw/zinc/15/77/57/722157757.db2.gz	LMCKNPMZAFWZPJ-IRXDYDNUSA-N	1	1	413.478	1.394	20	0		HDADMO
Cc1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1C(N)=O	ZINC001164996088	722229722	/nfs/dbraw/zinc/22/97/22/722229722.db2.gz	DLNSJWJWYUAEIR-UHFFFAOYSA-N	1	1	415.929	1.289	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nccc(Cl)n2)CC3)CC1	ZINC001164997119	722230395	/nfs/dbraw/zinc/23/03/95/722230395.db2.gz	QHYBKIXFGWWBCY-UHFFFAOYSA-N	1	1	409.872	1.822	20	0		HDADMO
CCOC(=O)c1cc(F)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996527	722230587	/nfs/dbraw/zinc/23/05/87/722230587.db2.gz	JELILBJXCHGPPK-UHFFFAOYSA-N	1	1	414.485	1.544	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c21	ZINC001164997158	722233635	/nfs/dbraw/zinc/23/36/35/722233635.db2.gz	MQYRPTPRMRWYOX-CQSZACIVSA-N	1	1	408.510	1.069	20	0		HDADMO
COc1cccc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc21	ZINC001164996256	722233707	/nfs/dbraw/zinc/23/37/07/722233707.db2.gz	AKPXHIDPFFZNSN-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001165002577	722238571	/nfs/dbraw/zinc/23/85/71/722238571.db2.gz	VTOZEBUIMWAPLP-UHFFFAOYSA-N	1	1	417.901	1.064	20	0		HDADMO
Cc1nc2c(nc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH]1	ZINC001164999570	722252154	/nfs/dbraw/zinc/25/21/54/722252154.db2.gz	CIMSYFYEAVKHKY-UHFFFAOYSA-N	1	1	404.906	2.000	20	0		HDADMO
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429050195	1073465385	/nfs/dbraw/zinc/46/53/85/1073465385.db2.gz	XORKPHKNTXNQMY-IRXDYDNUSA-N	1	1	413.609	1.684	20	0		HDADMO
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429050195	1073465393	/nfs/dbraw/zinc/46/53/93/1073465393.db2.gz	XORKPHKNTXNQMY-IRXDYDNUSA-N	1	1	413.609	1.684	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1	ZINC000429060201	1073493879	/nfs/dbraw/zinc/49/38/79/1073493879.db2.gz	LLSHAMJKXBGJIE-HKUYNNGSSA-N	1	1	409.552	1.732	20	0		HDADMO
Cc1nnc(COCC(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)s1	ZINC000509087041	1073497778	/nfs/dbraw/zinc/49/77/78/1073497778.db2.gz	WVRQGEPEDUQXBR-UHFFFAOYSA-N	1	1	403.508	1.780	20	0		HDADMO
Cc1c([C@H]2[C@H](NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)CC(=O)N2C)cnn1C	ZINC000429061991	1073498584	/nfs/dbraw/zinc/49/85/84/1073498584.db2.gz	GKIUYGUKJLHHAV-XLIONFOSSA-N	1	1	413.526	1.398	20	0		HDADMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	ZINC001299281763	1073503597	/nfs/dbraw/zinc/50/35/97/1073503597.db2.gz	SBEZBTOMVSYULC-AWEZNQCLSA-N	1	1	404.536	1.252	20	0		HDADMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	ZINC001299281763	1073503605	/nfs/dbraw/zinc/50/36/05/1073503605.db2.gz	SBEZBTOMVSYULC-AWEZNQCLSA-N	1	1	404.536	1.252	20	0		HDADMO
C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1	ZINC000509097354	1073521557	/nfs/dbraw/zinc/52/15/57/1073521557.db2.gz	JMKBSUTXVRQGFJ-ZTNFWEORSA-N	1	1	421.973	1.795	20	0		HDADMO
C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1	ZINC000509097352	1073521688	/nfs/dbraw/zinc/52/16/88/1073521688.db2.gz	JMKBSUTXVRQGFJ-XFQXTVEOSA-N	1	1	421.973	1.795	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccn(CC(=O)N(C)C)n1	ZINC000429084412	1073532941	/nfs/dbraw/zinc/53/29/41/1073532941.db2.gz	NOCXAFQXXJRGNP-GOSISDBHSA-N	1	1	413.526	1.885	20	0		HDADMO
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673648726	1073547336	/nfs/dbraw/zinc/54/73/36/1073547336.db2.gz	MBKCVORWODKHON-NRFANRHFSA-N	1	1	408.502	1.835	20	0		HDADMO
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673648726	1073547345	/nfs/dbraw/zinc/54/73/45/1073547345.db2.gz	MBKCVORWODKHON-NRFANRHFSA-N	1	1	408.502	1.835	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000673650487	1073549601	/nfs/dbraw/zinc/54/96/01/1073549601.db2.gz	VOAGLPOMSRHGIV-QGZVFWFLSA-N	1	1	415.538	1.937	20	0		HDADMO
COc1nn(C)cc1NC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2	ZINC000475172319	1073557868	/nfs/dbraw/zinc/55/78/68/1073557868.db2.gz	GZLIIMVSZGPMPF-UHFFFAOYSA-N	1	1	401.467	1.135	20	0		HDADMO
O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625185719	1073563789	/nfs/dbraw/zinc/56/37/89/1073563789.db2.gz	UNMJUNVOZMSOQG-SFHVURJKSA-N	1	1	400.479	1.172	20	0		HDADMO
O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000429104042	1073589082	/nfs/dbraw/zinc/58/90/82/1073589082.db2.gz	OUIWRFIWVLBXCU-IBGZPJMESA-N	1	1	413.522	1.075	20	0		HDADMO
CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1	ZINC001299283309	1073590914	/nfs/dbraw/zinc/59/09/14/1073590914.db2.gz	ZLHFNMPYRPPLAT-SFHVURJKSA-N	1	1	421.590	1.439	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)COc2ccc(O)cc2)cc1	ZINC000673658450	1073604603	/nfs/dbraw/zinc/60/46/03/1073604603.db2.gz	LUPSCGCKXCCMBF-UHFFFAOYSA-N	1	1	412.490	1.620	20	0		HDADMO
CCOC(=O)[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1	ZINC001128522241	1073617194	/nfs/dbraw/zinc/61/71/94/1073617194.db2.gz	TYGBYNMBDXVKAG-AUSJPIAWSA-N	1	1	410.536	1.715	20	0		HDADMO
NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000673668356	1073620975	/nfs/dbraw/zinc/62/09/75/1073620975.db2.gz	LGTYSPBLQPTEFY-FDDCHVKYSA-N	1	1	408.502	1.117	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673669471	1073621642	/nfs/dbraw/zinc/62/16/42/1073621642.db2.gz	QZSNNMQLIBWQHV-MRXNPFEDSA-N	1	1	414.554	1.508	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673669471	1073621646	/nfs/dbraw/zinc/62/16/46/1073621646.db2.gz	QZSNNMQLIBWQHV-MRXNPFEDSA-N	1	1	414.554	1.508	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1	ZINC000673670095	1073624580	/nfs/dbraw/zinc/62/45/80/1073624580.db2.gz	ZFPFRFBDFFBYCO-PKOBYXMFSA-N	1	1	405.587	1.635	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1	ZINC000673670095	1073624586	/nfs/dbraw/zinc/62/45/86/1073624586.db2.gz	ZFPFRFBDFFBYCO-PKOBYXMFSA-N	1	1	405.587	1.635	20	0		HDADMO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673675375	1073630997	/nfs/dbraw/zinc/63/09/97/1073630997.db2.gz	NFECARCDHAXASX-TZIWHRDSSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673675375	1073630999	/nfs/dbraw/zinc/63/09/99/1073630999.db2.gz	NFECARCDHAXASX-TZIWHRDSSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCN1Cc1ccccn1	ZINC000673675375	1073631002	/nfs/dbraw/zinc/63/10/02/1073631002.db2.gz	NFECARCDHAXASX-TZIWHRDSSA-N	1	1	408.550	1.768	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1	ZINC000673702378	1073644060	/nfs/dbraw/zinc/64/40/60/1073644060.db2.gz	BHJMRHNCYLNOMG-LJQANCHMSA-N	1	1	408.568	1.609	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673700899	1073644292	/nfs/dbraw/zinc/64/42/92/1073644292.db2.gz	XESYACYFZOSMSV-WOJBJXKFSA-N	1	1	400.523	1.237	20	0		HDADMO
CN(C(=O)NCCCN1CCCS1(=O)=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673705159	1073645648	/nfs/dbraw/zinc/64/56/48/1073645648.db2.gz	NAQIGBWTMHOHHQ-IBGZPJMESA-N	1	1	408.568	1.718	20	0		HDADMO
Cn1cnc2c1c(=O)n(CCCN1CC[C@H]([N@@H+](C)Cc3ccccc3)C1)c(=O)n2C	ZINC000673716685	1073648655	/nfs/dbraw/zinc/64/86/55/1073648655.db2.gz	YQDAZYBKSKIPKM-SFHVURJKSA-N	1	1	410.522	1.030	20	0		HDADMO
CN(Cc1ccccc1)[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC000673716685	1073648661	/nfs/dbraw/zinc/64/86/61/1073648661.db2.gz	YQDAZYBKSKIPKM-SFHVURJKSA-N	1	1	410.522	1.030	20	0		HDADMO
CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC000673716685	1073648670	/nfs/dbraw/zinc/64/86/70/1073648670.db2.gz	YQDAZYBKSKIPKM-SFHVURJKSA-N	1	1	410.522	1.030	20	0		HDADMO
CO[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)c1ccccc1	ZINC000509130629	1073671676	/nfs/dbraw/zinc/67/16/76/1073671676.db2.gz	ZPMDCTWEGZKKOF-FQEVSTJZSA-N	1	1	403.523	1.451	20	0		HDADMO
Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)n1	ZINC000946684731	1073675645	/nfs/dbraw/zinc/67/56/45/1073675645.db2.gz	OLMPFGUUJOIFFQ-BHQCHZOVSA-N	1	1	400.523	1.904	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000673753672	1073686326	/nfs/dbraw/zinc/68/63/26/1073686326.db2.gz	OYZWRUYBKWZIKU-SFHVURJKSA-N	1	1	416.547	1.825	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000429121291	1073688728	/nfs/dbraw/zinc/68/87/28/1073688728.db2.gz	KAZCFBSLPGKYJU-MRXNPFEDSA-N	1	1	412.556	1.554	20	0		HDADMO
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000429121291	1073688737	/nfs/dbraw/zinc/68/87/37/1073688737.db2.gz	KAZCFBSLPGKYJU-MRXNPFEDSA-N	1	1	412.556	1.554	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N1CCN(c2cnccn2)CC1	ZINC000673755842	1073691330	/nfs/dbraw/zinc/69/13/30/1073691330.db2.gz	VUVNNKHMZIDJLH-HXUWFJFHSA-N	1	1	408.550	1.722	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000673750727	1073694231	/nfs/dbraw/zinc/69/42/31/1073694231.db2.gz	FEBWKSBYQUBXPJ-FXAWDEMLSA-N	1	1	400.523	1.237	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1	ZINC000429125323	1073694868	/nfs/dbraw/zinc/69/48/68/1073694868.db2.gz	YXZBLSCSPSHQDX-UHFFFAOYSA-N	1	1	408.568	1.404	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cnn(Cc3ccccn3)c2)CC1	ZINC000673763926	1073695418	/nfs/dbraw/zinc/69/54/18/1073695418.db2.gz	QCRHKHNWCKETHW-UHFFFAOYSA-N	1	1	413.526	1.734	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cnn(Cc3ccccn3)c2)CC1	ZINC000673763926	1073695419	/nfs/dbraw/zinc/69/54/19/1073695419.db2.gz	QCRHKHNWCKETHW-UHFFFAOYSA-N	1	1	413.526	1.734	20	0		HDADMO
CN(C(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1)C1CCOCC1	ZINC000429124916	1073696011	/nfs/dbraw/zinc/69/60/11/1073696011.db2.gz	XGRKBRUXSXVHOB-IBGZPJMESA-N	1	1	403.527	1.305	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCN1CCCS1(=O)=O	ZINC000673773959	1073708409	/nfs/dbraw/zinc/70/84/09/1073708409.db2.gz	YVWUEWZGAUPKJD-GOSISDBHSA-N	1	1	408.568	1.718	20	0		HDADMO
CNC(=O)CN1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1	ZINC000673769156	1073713220	/nfs/dbraw/zinc/71/32/20/1073713220.db2.gz	OXLONCHKKAEYDG-SFHVURJKSA-N	1	1	401.555	1.503	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1	ZINC000429131868	1073720482	/nfs/dbraw/zinc/72/04/82/1073720482.db2.gz	KPRICBPCJPOZPB-UHFFFAOYSA-N	1	1	405.543	1.936	20	0		HDADMO
O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000673810383	1073754651	/nfs/dbraw/zinc/75/46/51/1073754651.db2.gz	XVBAGOUDDYGIPR-AEFFLSMTSA-N	1	1	400.479	1.220	20	0		HDADMO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000673825448	1073769534	/nfs/dbraw/zinc/76/95/34/1073769534.db2.gz	XNBDSVBOYDXPDG-QGZVFWFLSA-N	1	1	412.519	1.947	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000673825448	1073769539	/nfs/dbraw/zinc/76/95/39/1073769539.db2.gz	XNBDSVBOYDXPDG-QGZVFWFLSA-N	1	1	412.519	1.947	20	0		HDADMO
O=C([C@H]1CCCN1c1ncccn1)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000673816882	1073773174	/nfs/dbraw/zinc/77/31/74/1073773174.db2.gz	LGFGXKFZSPYOLU-OAHLLOKOSA-N	1	1	401.433	1.559	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1csc(N(C)C)n1	ZINC000673852202	1073817228	/nfs/dbraw/zinc/81/72/28/1073817228.db2.gz	WHMTVCXLBWBZGV-HNNXBMFYSA-N	1	1	403.556	1.614	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc(C4CC4)s2)C3)O1	ZINC001004797411	1073830548	/nfs/dbraw/zinc/83/05/48/1073830548.db2.gz	YJABLFVVTNYMRY-CSOUEMRRSA-N	1	1	404.536	1.601	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc(C4CC4)s2)C3)O1	ZINC001004797411	1073830556	/nfs/dbraw/zinc/83/05/56/1073830556.db2.gz	YJABLFVVTNYMRY-CSOUEMRRSA-N	1	1	404.536	1.601	20	0		HDADMO
O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000466542311	1073832392	/nfs/dbraw/zinc/83/23/92/1073832392.db2.gz	QKQWBOMJPNQTII-QGZVFWFLSA-N	1	1	424.977	1.003	20	0		HDADMO
O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000466542306	1073832479	/nfs/dbraw/zinc/83/24/79/1073832479.db2.gz	QKQWBOMJPNQTII-KRWDZBQOSA-N	1	1	424.977	1.003	20	0		HDADMO
CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673878009	1073850685	/nfs/dbraw/zinc/85/06/85/1073850685.db2.gz	CTRNOSRZFPXLSX-MRXNPFEDSA-N	1	1	407.584	1.570	20	0		HDADMO
O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000673879195	1073851251	/nfs/dbraw/zinc/85/12/51/1073851251.db2.gz	WQSOQRSHVMLFKS-QUCCMNQESA-N	1	1	421.505	1.345	20	0		HDADMO
CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673908193	1073876380	/nfs/dbraw/zinc/87/63/80/1073876380.db2.gz	OVYYIKMDLOHIOT-GOSISDBHSA-N	1	1	411.568	1.454	20	0		HDADMO
Cc1c([C@@H](C)[NH2+]CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cnn1C	ZINC000543514919	1073952584	/nfs/dbraw/zinc/95/25/84/1073952584.db2.gz	NDSPXWLDIIKKLG-UKRRQHHQSA-N	1	1	410.565	1.657	20	0		HDADMO
CC[C@H]1Oc2cc([C@@H](C)NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2NC1=O	ZINC000670438096	1073952958	/nfs/dbraw/zinc/95/29/58/1073952958.db2.gz	JQMWBTHJKZAYDW-NYCLONFESA-N	1	1	414.506	1.668	20	0		HDADMO
CO[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC[C@@H]1C	ZINC000466566620	1073953417	/nfs/dbraw/zinc/95/34/17/1073953417.db2.gz	KZLLMHSSACUDAI-QFBILLFUSA-N	1	1	424.567	1.902	20	0		HDADMO
CO[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC[C@@H]1C	ZINC000466566620	1073953420	/nfs/dbraw/zinc/95/34/20/1073953420.db2.gz	KZLLMHSSACUDAI-QFBILLFUSA-N	1	1	424.567	1.902	20	0		HDADMO
C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C3)no1	ZINC001005012151	1073964850	/nfs/dbraw/zinc/96/48/50/1073964850.db2.gz	HTVWQCGOSXMMRW-NFBPCRFFSA-N	1	1	402.495	1.413	20	0		HDADMO
CC1(C)CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4COCC[C@H]24)C3)C1	ZINC001005046244	1073984314	/nfs/dbraw/zinc/98/43/14/1073984314.db2.gz	HTIPZEIKAFTTCS-ZNIMCQAWSA-N	1	1	405.539	1.018	20	0		HDADMO
CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000509187986	1073994616	/nfs/dbraw/zinc/99/46/16/1073994616.db2.gz	YLLUIMWELGAZRH-ZWKOTPCHSA-N	1	1	400.527	1.844	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)ncn1	ZINC000673985569	1074000684	/nfs/dbraw/zinc/00/06/84/1074000684.db2.gz	MHHXUVVSVUSSGK-IBGZPJMESA-N	1	1	402.543	1.514	20	0		HDADMO
Cc1c(C(=O)NCC(C)(C)S(C)(=O)=O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000673996773	1074019179	/nfs/dbraw/zinc/01/91/79/1074019179.db2.gz	YBAWJUWHXPZRBY-UHFFFAOYSA-N	1	1	405.524	1.117	20	0		HDADMO
O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000429196403	1074051659	/nfs/dbraw/zinc/05/16/59/1074051659.db2.gz	GHFVNIPEMLVYBW-CTNGQTDRSA-N	1	1	424.549	1.628	20	0		HDADMO
O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000429196405	1074051758	/nfs/dbraw/zinc/05/17/58/1074051758.db2.gz	GHFVNIPEMLVYBW-FPOVZHCZSA-N	1	1	424.549	1.628	20	0		HDADMO
CCn1c(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000110735850	1074061621	/nfs/dbraw/zinc/06/16/21/1074061621.db2.gz	MESVYGWJKLAEGA-HNNXBMFYSA-N	1	1	421.567	1.607	20	0		HDADMO
CCn1c(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000110735850	1074061630	/nfs/dbraw/zinc/06/16/30/1074061630.db2.gz	MESVYGWJKLAEGA-HNNXBMFYSA-N	1	1	421.567	1.607	20	0		HDADMO
CO[C@H](C)c1noc(CN2CCCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)n1	ZINC000429200671	1074064914	/nfs/dbraw/zinc/06/49/14/1074064914.db2.gz	QQJWHNQLBRWNSH-CVEARBPZSA-N	1	1	420.514	1.890	20	0		HDADMO
Cc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(OC[C@@H]2CCCO2)c1	ZINC000466607680	1074082580	/nfs/dbraw/zinc/08/25/80/1074082580.db2.gz	MZVJMDGPVPJALP-SIKLNZKXSA-N	1	1	421.538	1.435	20	0		HDADMO
C[N@@H+](CCNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)Cc1ccc(F)cc1	ZINC000674029027	1074095978	/nfs/dbraw/zinc/09/59/78/1074095978.db2.gz	BVNGYGHDOIGXAK-GOSISDBHSA-N	1	1	413.497	1.935	20	0		HDADMO
C[N@@H+](CCNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)Cc1ccc(F)cc1	ZINC000674029028	1074096430	/nfs/dbraw/zinc/09/64/30/1074096430.db2.gz	BVNGYGHDOIGXAK-SFHVURJKSA-N	1	1	413.497	1.935	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1	ZINC000543558422	1074098668	/nfs/dbraw/zinc/09/86/68/1074098668.db2.gz	LNXVJJQZOIYIBT-IYBDPMFKSA-N	1	1	404.511	1.772	20	0		HDADMO
CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1ccccc1F	ZINC000674030525	1074099054	/nfs/dbraw/zinc/09/90/54/1074099054.db2.gz	KSMMUTCEVHNJTL-MSOLQXFVSA-N	1	1	408.518	1.689	20	0		HDADMO
CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1ccccc1F	ZINC000674030526	1074099133	/nfs/dbraw/zinc/09/91/33/1074099133.db2.gz	KSMMUTCEVHNJTL-QZTJIDSGSA-N	1	1	408.518	1.689	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)C1	ZINC000674038773	1074109694	/nfs/dbraw/zinc/10/96/94/1074109694.db2.gz	CASYUPSSBSRREI-KRWDZBQOSA-N	1	1	418.513	1.934	20	0		HDADMO
CN1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](c2ccccc2)C1	ZINC000059297522	1074135437	/nfs/dbraw/zinc/13/54/37/1074135437.db2.gz	HSBZOPSTGWPHGY-NRFANRHFSA-N	1	1	423.565	1.687	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](CC)C[C@@H]3C)CC2)ncn1	ZINC000674046072	1074139727	/nfs/dbraw/zinc/13/97/27/1074139727.db2.gz	BOWGZPVLANEKRV-LPHOPBHVSA-N	1	1	416.570	1.313	20	0		HDADMO
COC(=O)NCc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000766058356	1074155560	/nfs/dbraw/zinc/15/55/60/1074155560.db2.gz	CNSWSQVRUZGGJQ-KRWDZBQOSA-N	1	1	403.483	1.313	20	0		HDADMO
CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1	ZINC000543578577	1074161994	/nfs/dbraw/zinc/16/19/94/1074161994.db2.gz	NXYIUPXZOMSSRA-QFBILLFUSA-N	1	1	413.522	1.384	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1	ZINC000509218783	1074170049	/nfs/dbraw/zinc/17/00/49/1074170049.db2.gz	PWJCOJJLSMMSLB-YOEHRIQHSA-N	1	1	403.570	1.478	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1	ZINC000509218783	1074170052	/nfs/dbraw/zinc/17/00/52/1074170052.db2.gz	PWJCOJJLSMMSLB-YOEHRIQHSA-N	1	1	403.570	1.478	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)C1	ZINC000674091874	1074180614	/nfs/dbraw/zinc/18/06/14/1074180614.db2.gz	ZXHWORKWNBUQFD-QGZVFWFLSA-N	1	1	405.543	1.307	20	0		HDADMO
Cc1c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000674132539	1074188393	/nfs/dbraw/zinc/18/83/93/1074188393.db2.gz	WQKJDCMCOSQSKG-SFHVURJKSA-N	1	1	424.549	1.358	20	0		HDADMO
Cc1c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674132539	1074188394	/nfs/dbraw/zinc/18/83/94/1074188394.db2.gz	WQKJDCMCOSQSKG-SFHVURJKSA-N	1	1	424.549	1.358	20	0		HDADMO
Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1	ZINC000509219311	1074190260	/nfs/dbraw/zinc/19/02/60/1074190260.db2.gz	TUPZBROKRROPEY-NRFANRHFSA-N	1	1	400.567	1.591	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCN1CCCS1(=O)=O	ZINC000674157820	1074195002	/nfs/dbraw/zinc/19/50/02/1074195002.db2.gz	PGBQDUZORWFPMD-MJGOQNOKSA-N	1	1	408.568	1.622	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)NCc3nnnn3-c3ccccc3)CC2)nc(C)[nH+]1	ZINC000674158194	1074195678	/nfs/dbraw/zinc/19/56/78/1074195678.db2.gz	ZEGYKJMFQPFBSL-UHFFFAOYSA-N	1	1	407.482	1.537	20	0		HDADMO
COCC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000674168818	1074201046	/nfs/dbraw/zinc/20/10/46/1074201046.db2.gz	NRVOQAKJEQGMEX-FXAWDEMLSA-N	1	1	402.539	1.834	20	0		HDADMO
Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2)nn1	ZINC000674203015	1074217715	/nfs/dbraw/zinc/21/77/15/1074217715.db2.gz	ZABFUPGWXOJGJZ-UHFFFAOYSA-N	1	1	413.478	1.431	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](C)c3ccncc3)cc2)CC1	ZINC000674227438	1074234761	/nfs/dbraw/zinc/23/47/61/1074234761.db2.gz	KBEZPLLTMZASGA-QGZVFWFLSA-N	1	1	423.517	1.718	20	0		HDADMO
CN(C(=O)C(=O)NCc1ccc(COC2CCOCC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000674255317	1074241012	/nfs/dbraw/zinc/24/10/12/1074241012.db2.gz	QLKFLTWLBFOLFM-HXUWFJFHSA-N	1	1	415.534	1.694	20	0		HDADMO
CN(C(=O)C(=O)NCc1ccc(COC2CCOCC2)cc1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000674255316	1074241062	/nfs/dbraw/zinc/24/10/62/1074241062.db2.gz	QLKFLTWLBFOLFM-FQEVSTJZSA-N	1	1	415.534	1.694	20	0		HDADMO
Cc1nn(C)c(=O)c(-c2nc(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cs2)c1C	ZINC000674251250	1074243321	/nfs/dbraw/zinc/24/33/21/1074243321.db2.gz	OXAHVPPAJLRMNP-GOSISDBHSA-N	1	1	416.595	1.732	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1	ZINC000674292896	1074257390	/nfs/dbraw/zinc/25/73/90/1074257390.db2.gz	VWUVEPNDPXIBDL-HXUWFJFHSA-N	1	1	415.582	1.545	20	0		HDADMO
CN(C[C@H](O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000674316835	1074265657	/nfs/dbraw/zinc/26/56/57/1074265657.db2.gz	DFGOOBATLKQPGB-SFHVURJKSA-N	1	1	410.540	1.247	20	0		HDADMO
CN(C[C@H](O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000674316835	1074265660	/nfs/dbraw/zinc/26/56/60/1074265660.db2.gz	DFGOOBATLKQPGB-SFHVURJKSA-N	1	1	410.540	1.247	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000674307938	1074266471	/nfs/dbraw/zinc/26/64/71/1074266471.db2.gz	MCJKARKTPSZWOO-PWIZWCRZSA-N	1	1	400.523	1.283	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1	ZINC000674320567	1074270915	/nfs/dbraw/zinc/27/09/15/1074270915.db2.gz	IMKHNEJLNUQAOM-FQEVSTJZSA-N	1	1	419.497	1.206	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)NCCCN2CCCS2(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000674329175	1074278005	/nfs/dbraw/zinc/27/80/05/1074278005.db2.gz	YWASXBDTPXTHMM-IEBWSBKVSA-N	1	1	408.568	1.764	20	0		HDADMO
Cc1cc(C)cc(CCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1	ZINC000509223907	1074278658	/nfs/dbraw/zinc/27/86/58/1074278658.db2.gz	KUHWPJVZSXDVPD-QFIPXVFZSA-N	1	1	409.530	1.845	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000674329927	1074279151	/nfs/dbraw/zinc/27/91/51/1074279151.db2.gz	UXTKZGUMNZRPDA-MOPGFXCFSA-N	1	1	421.973	1.624	20	0		HDADMO
CN1CCN(c2ccccc2NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1	ZINC000140856624	1074293204	/nfs/dbraw/zinc/29/32/04/1074293204.db2.gz	ZYAVXPAJFBTTGM-UHFFFAOYSA-N	1	1	414.598	1.930	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C[C@@H](O)CN1CCOCC1	ZINC000674369085	1074298027	/nfs/dbraw/zinc/29/80/27/1074298027.db2.gz	WVHSCUOOMXCZGA-WOJBJXKFSA-N	1	1	419.566	1.705	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1=O	ZINC000674424172	1074325373	/nfs/dbraw/zinc/32/53/73/1074325373.db2.gz	NLKSSXOTFOUFLE-UTKZUKDTSA-N	1	1	401.511	1.528	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1=O	ZINC000674425293	1074327102	/nfs/dbraw/zinc/32/71/02/1074327102.db2.gz	YVQMHOCGJAIHTD-PGRDOPGGSA-N	1	1	413.522	1.455	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)C1	ZINC000674431644	1074343461	/nfs/dbraw/zinc/34/34/61/1074343461.db2.gz	SUIKMFSTNHZRGE-WOPDTQHZSA-N	1	1	418.382	1.956	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1=O	ZINC000674448000	1074345523	/nfs/dbraw/zinc/34/55/23/1074345523.db2.gz	CBSDNEOVDDREJT-AUUYWEPGSA-N	1	1	405.524	1.126	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1=O	ZINC000674448000	1074345526	/nfs/dbraw/zinc/34/55/26/1074345526.db2.gz	CBSDNEOVDDREJT-AUUYWEPGSA-N	1	1	405.524	1.126	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000674470056	1074368348	/nfs/dbraw/zinc/36/83/48/1074368348.db2.gz	MOQXYHXUUIVWKE-CYBMUJFWSA-N	1	1	421.972	1.345	20	0		HDADMO
COC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000674479747	1074379369	/nfs/dbraw/zinc/37/93/69/1074379369.db2.gz	VDLFUDUBIXHINF-RTBURBONSA-N	1	1	416.522	1.429	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000674499458	1074392653	/nfs/dbraw/zinc/39/26/53/1074392653.db2.gz	BJVUJEYFANKXAL-SFHVURJKSA-N	1	1	409.552	1.588	20	0		HDADMO
COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000674499953	1074393044	/nfs/dbraw/zinc/39/30/44/1074393044.db2.gz	KFVBOAYQKLRKOE-SFHVURJKSA-N	1	1	421.563	1.861	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000674499953	1074393049	/nfs/dbraw/zinc/39/30/49/1074393049.db2.gz	KFVBOAYQKLRKOE-SFHVURJKSA-N	1	1	421.563	1.861	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@H+]2CCC[C@@H]2COC)C2CCCC2)c(=O)[nH]c1=O	ZINC000674500145	1074393114	/nfs/dbraw/zinc/39/31/14/1074393114.db2.gz	PIUYHTAHMFJBGR-MRXNPFEDSA-N	1	1	421.542	1.718	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@H](C)NC(=O)c3cccc(C)c3)C[C@@H]2C)CC1	ZINC000674546363	1074426486	/nfs/dbraw/zinc/42/64/86/1074426486.db2.gz	BXQGSRSNNQPJAU-ABSDTBQOSA-N	1	1	400.523	1.124	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O	ZINC000674584608	1074466211	/nfs/dbraw/zinc/46/62/11/1074466211.db2.gz	SMHUWMQYNSDCMH-FGSXEWAUSA-N	1	1	414.506	1.114	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O	ZINC000674584608	1074466214	/nfs/dbraw/zinc/46/62/14/1074466214.db2.gz	SMHUWMQYNSDCMH-FGSXEWAUSA-N	1	1	414.506	1.114	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O	ZINC000674584610	1074466309	/nfs/dbraw/zinc/46/63/09/1074466309.db2.gz	SMHUWMQYNSDCMH-SPEDKVCISA-N	1	1	414.506	1.114	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O	ZINC000674584610	1074466312	/nfs/dbraw/zinc/46/63/12/1074466312.db2.gz	SMHUWMQYNSDCMH-SPEDKVCISA-N	1	1	414.506	1.114	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1c(F)c(F)cc(F)c1F	ZINC000674624526	1074483368	/nfs/dbraw/zinc/48/33/68/1074483368.db2.gz	HBTUNIAFNMXXMG-CQSZACIVSA-N	1	1	404.408	1.985	20	0		HDADMO
C[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1noc(-c2ccccc2)n1	ZINC000674614261	1074484830	/nfs/dbraw/zinc/48/48/30/1074484830.db2.gz	OKPDJYVZMIEHEO-INIZCTEOSA-N	1	1	414.510	1.010	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1	ZINC000674634244	1074489359	/nfs/dbraw/zinc/48/93/59/1074489359.db2.gz	MATOOMFYYHARIF-CQSZACIVSA-N	1	1	403.487	1.305	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)[C@H](C)C1	ZINC000674630375	1074493658	/nfs/dbraw/zinc/49/36/58/1074493658.db2.gz	BLFKZMKPMDDATC-AEFFLSMTSA-N	1	1	405.543	1.468	20	0		HDADMO
CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(C)c1	ZINC000674632116	1074496072	/nfs/dbraw/zinc/49/60/72/1074496072.db2.gz	ZJCWTVIBRNOZQE-UXHICEINSA-N	1	1	404.555	1.858	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1	ZINC000674644364	1074502178	/nfs/dbraw/zinc/50/21/78/1074502178.db2.gz	UAJHPSOLOBZUOD-UTKZUKDTSA-N	1	1	407.559	1.860	20	0		HDADMO
COCCOc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000142025248	1074508558	/nfs/dbraw/zinc/50/85/58/1074508558.db2.gz	PNEQJZMJZBTSMA-HOTGVXAUSA-N	1	1	407.511	1.654	20	0		HDADMO
COCCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)n1	ZINC000674682373	1074521907	/nfs/dbraw/zinc/52/19/07/1074521907.db2.gz	XIGOHHGOFMQTDS-ZDUSSCGKSA-N	1	1	421.885	1.728	20	0		HDADMO
CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(F)c1	ZINC000674673261	1074525052	/nfs/dbraw/zinc/52/50/52/1074525052.db2.gz	FSLFWJIPJFJDQK-RBUKOAKNSA-N	1	1	408.518	1.689	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(N2CCOCC2)c1	ZINC000674700020	1074528581	/nfs/dbraw/zinc/52/85/81/1074528581.db2.gz	ZYOCECSBTBBQQC-FQEVSTJZSA-N	1	1	415.582	1.799	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(N2CCOCC2)c1	ZINC000674700020	1074528591	/nfs/dbraw/zinc/52/85/91/1074528591.db2.gz	ZYOCECSBTBBQQC-FQEVSTJZSA-N	1	1	415.582	1.799	20	0		HDADMO
CCCCN(C(=O)C[N@@H+]1CCCC[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674714189	1074532961	/nfs/dbraw/zinc/53/29/61/1074532961.db2.gz	PPAXUJPKAUKKGZ-HNNXBMFYSA-N	1	1	409.531	1.167	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CCCC[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674714189	1074532963	/nfs/dbraw/zinc/53/29/63/1074532963.db2.gz	PPAXUJPKAUKKGZ-HNNXBMFYSA-N	1	1	409.531	1.167	20	0		HDADMO
COC(=O)c1cc(Cl)cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1	ZINC000766065014	1074543557	/nfs/dbraw/zinc/54/35/57/1074543557.db2.gz	MTNQGICHFGLVBB-INIZCTEOSA-N	1	1	408.886	1.897	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCN2CCCS2(=O)=O)cc1	ZINC000674760178	1074550926	/nfs/dbraw/zinc/55/09/26/1074550926.db2.gz	AKQSZBWTKWVTAQ-HNNXBMFYSA-N	1	1	405.524	1.967	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCCOC[C@H]3CCOC3)C2)cc(OC)c1	ZINC000674777046	1074553218	/nfs/dbraw/zinc/55/32/18/1074553218.db2.gz	HBAFKGBLGVRQHQ-WMZOPIPTSA-N	1	1	407.511	1.630	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCCOC[C@H]3CCOC3)C2)cc(OC)c1	ZINC000674777046	1074553226	/nfs/dbraw/zinc/55/32/26/1074553226.db2.gz	HBAFKGBLGVRQHQ-WMZOPIPTSA-N	1	1	407.511	1.630	20	0		HDADMO
CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccn1	ZINC000674764271	1074558112	/nfs/dbraw/zinc/55/81/12/1074558112.db2.gz	UKHTVXWMNDRLDW-GOSISDBHSA-N	1	1	409.490	1.455	20	0		HDADMO
CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1	ZINC000674870027	1074597142	/nfs/dbraw/zinc/59/71/42/1074597142.db2.gz	ORPNCHRVBBKCMO-IBGZPJMESA-N	1	1	410.518	1.898	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc(OC)c1	ZINC000674879673	1074600164	/nfs/dbraw/zinc/60/01/64/1074600164.db2.gz	WOAZOOXSVPRFMT-SFHVURJKSA-N	1	1	404.511	1.588	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc(OC)c1	ZINC000674879673	1074600168	/nfs/dbraw/zinc/60/01/68/1074600168.db2.gz	WOAZOOXSVPRFMT-SFHVURJKSA-N	1	1	404.511	1.588	20	0		HDADMO
O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000674887811	1074603977	/nfs/dbraw/zinc/60/39/77/1074603977.db2.gz	OGMWNCSVAZBYGX-GOSISDBHSA-N	1	1	412.465	1.575	20	0		HDADMO
CC(C)c1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c2cnn(C(C)C)c2n1	ZINC000674905058	1074608513	/nfs/dbraw/zinc/60/85/13/1074608513.db2.gz	IKXNAZDEGLGUHG-UHFFFAOYSA-N	1	1	400.527	1.982	20	0		HDADMO
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(OCCCO)CC1	ZINC000674913996	1074613025	/nfs/dbraw/zinc/61/30/25/1074613025.db2.gz	BIYKJVSINRFJOW-HNNXBMFYSA-N	1	1	413.540	1.127	20	0		HDADMO
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000674935152	1074637164	/nfs/dbraw/zinc/63/71/64/1074637164.db2.gz	VQRKXYWVFZHDSN-BPUTZDHNSA-N	1	1	401.429	1.940	20	0		HDADMO
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000674935152	1074637167	/nfs/dbraw/zinc/63/71/67/1074637167.db2.gz	VQRKXYWVFZHDSN-BPUTZDHNSA-N	1	1	401.429	1.940	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000543611448	1074663920	/nfs/dbraw/zinc/66/39/20/1074663920.db2.gz	KMWUGTJNMAFAQJ-UHFFFAOYSA-N	1	1	411.506	1.806	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)Nc3cnn(C(C)C)c3)cc2)CC1	ZINC000674992743	1074665191	/nfs/dbraw/zinc/66/51/91/1074665191.db2.gz	IYTFEJFBZYEMLU-UHFFFAOYSA-N	1	1	412.494	1.819	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429310860	1074666952	/nfs/dbraw/zinc/66/69/52/1074666952.db2.gz	XUTXPKYMQCKWDJ-SJORKVTESA-N	1	1	402.543	1.291	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000429308947	1074668452	/nfs/dbraw/zinc/66/84/52/1074668452.db2.gz	MDEWUKNKJZLXSM-AOIWGVFYSA-N	1	1	418.538	1.606	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000429309010	1074668970	/nfs/dbraw/zinc/66/89/70/1074668970.db2.gz	MHUJIQMZFXTCOS-HUUCEWRRSA-N	1	1	410.540	1.074	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CCCS3)cc2)CC1	ZINC000674997923	1074676742	/nfs/dbraw/zinc/67/67/42/1074676742.db2.gz	RUKKBTJMWLCKNK-KRWDZBQOSA-N	1	1	404.536	1.415	20	0		HDADMO
CC(C)(C)N1C[C@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O	ZINC000429311830	1074685756	/nfs/dbraw/zinc/68/57/56/1074685756.db2.gz	RPQVRIUIGGXYEC-CQSZACIVSA-N	1	1	408.465	1.682	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nn1-c1ccccc1	ZINC000551759952	1074713799	/nfs/dbraw/zinc/71/37/99/1074713799.db2.gz	ZBDIKGIQYNDZKS-NRFANRHFSA-N	1	1	417.513	2.505	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nn1-c1ccccc1	ZINC000551759952	1074713809	/nfs/dbraw/zinc/71/38/09/1074713809.db2.gz	ZBDIKGIQYNDZKS-NRFANRHFSA-N	1	1	417.513	2.505	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1	ZINC000675107626	1074722601	/nfs/dbraw/zinc/72/26/01/1074722601.db2.gz	XECTXBUFQOBFIS-OBUYZQBDSA-N	1	1	413.522	1.669	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1ncn(Cc2ccccc2)n1	ZINC000606009895	1074725615	/nfs/dbraw/zinc/72/56/15/1074725615.db2.gz	KNMKIBYZUQJXNN-UHFFFAOYSA-N	1	1	418.501	1.830	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)nn1-c1cccc(Cl)c1	ZINC000578775190	1074726961	/nfs/dbraw/zinc/72/69/61/1074726961.db2.gz	KJXHRKGCGSGLCV-HXUWFJFHSA-N	1	1	401.898	2.327	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1	ZINC000675127025	1074731097	/nfs/dbraw/zinc/73/10/97/1074731097.db2.gz	YSKALNPUPRTBKE-JXFKEZNVSA-N	1	1	408.502	1.693	20	0		HDADMO
C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@H](C)O1	ZINC000675127934	1074732813	/nfs/dbraw/zinc/73/28/13/1074732813.db2.gz	MTLRYUXGMNLROC-LSTDLKDCSA-N	1	1	403.523	1.902	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nn1-c1ccc(Cl)c(Cl)c1	ZINC000427847600	1074734600	/nfs/dbraw/zinc/73/46/00/1074734600.db2.gz	CYVVXKVTUHIESU-BETUJISGSA-N	1	1	422.316	2.446	20	0		HDADMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1	ZINC000448332523	1074736872	/nfs/dbraw/zinc/73/68/72/1074736872.db2.gz	ZQBGGTKQEQZGBW-CQSZACIVSA-N	1	1	404.446	1.816	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@H]1CC[C@@H](CO)CC1	ZINC000675140735	1074739371	/nfs/dbraw/zinc/73/93/71/1074739371.db2.gz	LFHJEACPOKVPRJ-WOVMCDHWSA-N	1	1	404.511	1.755	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)CCN2C1=O	ZINC000675140149	1074740581	/nfs/dbraw/zinc/74/05/81/1074740581.db2.gz	HJVUMQCSOLPTIQ-YJBOKZPZSA-N	1	1	415.494	1.580	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)nn1C1CCCCC1	ZINC000582636240	1074743598	/nfs/dbraw/zinc/74/35/98/1074743598.db2.gz	NNRVBAJNIQASEZ-UHFFFAOYSA-N	1	1	404.559	1.779	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl	ZINC000670494248	1074749070	/nfs/dbraw/zinc/74/90/70/1074749070.db2.gz	FDAZJPRWWGBALW-UHFFFAOYSA-N	1	1	415.365	1.748	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@]3(C)CCCS3)cc2)CC1	ZINC000675210456	1074763992	/nfs/dbraw/zinc/76/39/92/1074763992.db2.gz	IUUQYXIIBIAGLH-NRFANRHFSA-N	1	1	418.563	1.805	20	0		HDADMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1	ZINC000675213184	1074765275	/nfs/dbraw/zinc/76/52/75/1074765275.db2.gz	SHJQOOKYOCXQHT-QGZVFWFLSA-N	1	1	404.511	1.837	20	0		HDADMO
Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1	ZINC000675262625	1074773660	/nfs/dbraw/zinc/77/36/60/1074773660.db2.gz	GHEFXXQNKDMTRX-SFHVURJKSA-N	1	1	411.506	1.833	20	0		HDADMO
CCOc1cc(Cl)ccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000675263312	1074774164	/nfs/dbraw/zinc/77/41/64/1074774164.db2.gz	DTAVPXGJMORZDS-MRXNPFEDSA-N	1	1	408.930	1.916	20	0		HDADMO
C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC[N@H+]1C	ZINC001128974530	1074775946	/nfs/dbraw/zinc/77/59/46/1074775946.db2.gz	IMMZFGCKZLQZQD-HNKHHVNMSA-N	1	1	405.461	1.791	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1)[NH+]1CCOCC1	ZINC000554748417	1074784094	/nfs/dbraw/zinc/78/40/94/1074784094.db2.gz	AGIXNVROVVUREX-QFBILLFUSA-N	1	1	419.570	2.354	20	0		HDADMO
O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000490374799	1074797708	/nfs/dbraw/zinc/79/77/08/1074797708.db2.gz	GBZMRJITKIKQSP-GFCCVEGCSA-N	1	1	422.411	1.825	20	0		HDADMO
C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)cc2C1	ZINC000509320341	1074799260	/nfs/dbraw/zinc/79/92/60/1074799260.db2.gz	GQNWHNJWRNVEJB-SJORKVTESA-N	1	1	411.462	1.867	20	0		HDADMO
C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)cc2C1	ZINC000509320341	1074799266	/nfs/dbraw/zinc/79/92/66/1074799266.db2.gz	GQNWHNJWRNVEJB-SJORKVTESA-N	1	1	411.462	1.867	20	0		HDADMO
C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1-n1cccn1	ZINC000675310596	1074801431	/nfs/dbraw/zinc/80/14/31/1074801431.db2.gz	WYSDLIQEOGMRFG-MOPGFXCFSA-N	1	1	412.538	1.639	20	0		HDADMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1nc2cc(Cl)ccn2n1	ZINC000574679598	1074804166	/nfs/dbraw/zinc/80/41/66/1074804166.db2.gz	HWGLYKQRDMMSJS-UHFFFAOYSA-N	1	1	400.870	2.537	20	0		HDADMO
COCCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2S1(=O)=O	ZINC000766110955	1074818674	/nfs/dbraw/zinc/81/86/74/1074818674.db2.gz	VUMXQDDTRKANFA-NVXWUHKLSA-N	1	1	421.519	1.034	20	0		HDADMO
C[C@@H](C[C@@H]1CCOC1)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000675367500	1074822255	/nfs/dbraw/zinc/82/22/55/1074822255.db2.gz	ORDWLDMHQXUQNO-ROUUACIJSA-N	1	1	417.554	1.833	20	0		HDADMO
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429337299	1075102597	/nfs/dbraw/zinc/10/25/97/1075102597.db2.gz	XWZQMULDEKKPJR-GOSISDBHSA-N	1	1	409.490	1.281	20	0		HDADMO
CCCN(C(=O)Cc1nnc(NC)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000546798752	1075116157	/nfs/dbraw/zinc/11/61/57/1075116157.db2.gz	BTCPCFCOAISJNP-UHFFFAOYSA-N	1	1	403.556	2.437	20	0		HDADMO
COCc1nnc(-c2cccc(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1	ZINC000543624495	1075122075	/nfs/dbraw/zinc/12/20/75/1075122075.db2.gz	ZTZHOORSUHPNCD-INIZCTEOSA-N	1	1	401.467	1.200	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1	ZINC000675405758	1075130617	/nfs/dbraw/zinc/13/06/17/1075130617.db2.gz	GOOUYAATCLHLMA-ZWKOTPCHSA-N	1	1	411.506	1.612	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC3(CC2)OCc2ccccc23)C1	ZINC000675424744	1075140062	/nfs/dbraw/zinc/14/00/62/1075140062.db2.gz	YVEXSBBFNMQFPF-QGZVFWFLSA-N	1	1	400.523	1.805	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCN(CC(F)(F)F)CC1	ZINC000670525472	1075147555	/nfs/dbraw/zinc/14/75/55/1075147555.db2.gz	VVOVASKAPZBXGN-OAHLLOKOSA-N	1	1	416.444	1.629	20	0		HDADMO
CCc1noc(CC)c1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000670527024	1075154828	/nfs/dbraw/zinc/15/48/28/1075154828.db2.gz	KGXGQEMFFNOYAD-UHFFFAOYSA-N	1	1	406.527	1.567	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1	ZINC000766138814	1075160283	/nfs/dbraw/zinc/16/02/83/1075160283.db2.gz	YGCGICOCAGSXSJ-UHFFFAOYSA-N	1	1	405.499	1.047	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)cc(OC)c1	ZINC000429348233	1075160742	/nfs/dbraw/zinc/16/07/42/1075160742.db2.gz	ZJHKGIMNXUKOEQ-IRXDYDNUSA-N	1	1	418.538	1.977	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)cc(OC)c1	ZINC000429348233	1075160743	/nfs/dbraw/zinc/16/07/43/1075160743.db2.gz	ZJHKGIMNXUKOEQ-IRXDYDNUSA-N	1	1	418.538	1.977	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1NS(C)(=O)=O	ZINC000675465721	1075161368	/nfs/dbraw/zinc/16/13/68/1075161368.db2.gz	GSBBIKMXZLXNCH-UKRRQHHQSA-N	1	1	415.581	1.887	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466680578	1075161854	/nfs/dbraw/zinc/16/18/54/1075161854.db2.gz	LWWFIWRTQLMATQ-FXAWDEMLSA-N	1	1	423.517	1.636	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNS(=O)(=O)CC[C@@H]3CCCO3)c2)C1	ZINC000675461604	1075163039	/nfs/dbraw/zinc/16/30/39/1075163039.db2.gz	WYYPVNGQKITFDO-MOPGFXCFSA-N	1	1	409.552	1.372	20	0		HDADMO
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21	ZINC000675469021	1075164032	/nfs/dbraw/zinc/16/40/32/1075164032.db2.gz	AUJPYWQWLNDOME-OAHLLOKOSA-N	1	1	424.544	1.916	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C[N@H+]1Cc1ccccc1	ZINC000466681494	1075167927	/nfs/dbraw/zinc/16/79/27/1075167927.db2.gz	GLDMTNFUPVGBAC-HKUYNNGSSA-N	1	1	423.517	1.636	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)c2)CCO1	ZINC000675481115	1075171399	/nfs/dbraw/zinc/17/13/99/1075171399.db2.gz	QOEVCMVNHSEGMV-MRXNPFEDSA-N	1	1	409.552	1.626	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)c2)CCO1	ZINC000675481115	1075171403	/nfs/dbraw/zinc/17/14/03/1075171403.db2.gz	QOEVCMVNHSEGMV-MRXNPFEDSA-N	1	1	409.552	1.626	20	0		HDADMO
CN(Cc1ncc(Cl)n1C)C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000785478432	1075174534	/nfs/dbraw/zinc/17/45/34/1075174534.db2.gz	CTIQTQPFPFAXMM-UHFFFAOYSA-N	1	1	419.913	1.181	20	0		HDADMO
CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)c1	ZINC000675500289	1075180155	/nfs/dbraw/zinc/18/01/55/1075180155.db2.gz	KSXLWFVUJPCFRV-HSZRJFAPSA-N	1	1	417.550	1.943	20	0		HDADMO
Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000509347289	1075183231	/nfs/dbraw/zinc/18/32/31/1075183231.db2.gz	ZWNVHCDVMXKOEU-AWEZNQCLSA-N	1	1	423.560	1.855	20	0		HDADMO
Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000509347289	1075183234	/nfs/dbraw/zinc/18/32/34/1075183234.db2.gz	ZWNVHCDVMXKOEU-AWEZNQCLSA-N	1	1	423.560	1.855	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c3ncccc23)CC1	ZINC000675518870	1075184654	/nfs/dbraw/zinc/18/46/54/1075184654.db2.gz	DXFXFFPAINXZNE-UHFFFAOYSA-N	1	1	417.897	1.449	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1	ZINC000675519874	1075184890	/nfs/dbraw/zinc/18/48/90/1075184890.db2.gz	NKDBTLCXWVVVNP-ROUUACIJSA-N	1	1	400.479	1.971	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1	ZINC000675519874	1075184899	/nfs/dbraw/zinc/18/48/99/1075184899.db2.gz	NKDBTLCXWVVVNP-ROUUACIJSA-N	1	1	400.479	1.971	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(CCCOC)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446868732	1075187819	/nfs/dbraw/zinc/18/78/19/1075187819.db2.gz	SLFQLEPMCUCRPT-LJQANCHMSA-N	1	1	413.522	1.981	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cccc(CNc4ccncn4)c3)CC2)CC1	ZINC000543632100	1075188519	/nfs/dbraw/zinc/18/85/19/1075188519.db2.gz	LLDWYKLYOVJXJP-UHFFFAOYSA-N	1	1	422.533	1.715	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)C1	ZINC000032269021	1075195363	/nfs/dbraw/zinc/19/53/63/1075195363.db2.gz	CVZIYFXDKDTEEQ-QFBILLFUSA-N	1	1	401.511	1.220	20	0		HDADMO
Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)nn1C	ZINC000542024125	1075198176	/nfs/dbraw/zinc/19/81/76/1075198176.db2.gz	MFXWZMCBRWZKHF-UHFFFAOYSA-N	1	1	406.512	1.699	20	0		HDADMO
Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)nn1C	ZINC000542024125	1075198181	/nfs/dbraw/zinc/19/81/81/1075198181.db2.gz	MFXWZMCBRWZKHF-UHFFFAOYSA-N	1	1	406.512	1.699	20	0		HDADMO
CCC[C@H](NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C)c1nn[nH]n1	ZINC000675571606	1075208719	/nfs/dbraw/zinc/20/87/19/1075208719.db2.gz	LFRLNXPWXWBTID-INIZCTEOSA-N	1	1	423.543	1.009	20	0		HDADMO
C[C@@H]1CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC[N@H+](C2CCC2)C1	ZINC000429360411	1075209886	/nfs/dbraw/zinc/20/98/86/1075209886.db2.gz	ANDTYRUKXGUAAK-YLJYHZDGSA-N	1	1	411.612	1.751	20	0		HDADMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C[C@H](C)O1	ZINC000675585110	1075214001	/nfs/dbraw/zinc/21/40/01/1075214001.db2.gz	CKGVDSQJCSDOBZ-HLLBOEOZSA-N	1	1	407.515	1.005	20	0		HDADMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C[C@H](C)O1	ZINC000675585110	1075214004	/nfs/dbraw/zinc/21/40/04/1075214004.db2.gz	CKGVDSQJCSDOBZ-HLLBOEOZSA-N	1	1	407.515	1.005	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000675584618	1075214627	/nfs/dbraw/zinc/21/46/27/1075214627.db2.gz	DPGNCRJWUCPTGT-SJORKVTESA-N	1	1	401.467	1.547	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCCc2cn3c(n2)SCC3)c1	ZINC000466687834	1075215353	/nfs/dbraw/zinc/21/53/53/1075215353.db2.gz	AYCMKPQRDWHLKK-KRWDZBQOSA-N	1	1	414.535	1.803	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCCc2cn3c(n2)SCC3)c1	ZINC000466687834	1075215356	/nfs/dbraw/zinc/21/53/56/1075215356.db2.gz	AYCMKPQRDWHLKK-KRWDZBQOSA-N	1	1	414.535	1.803	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000675587189	1075216405	/nfs/dbraw/zinc/21/64/05/1075216405.db2.gz	YCHNHZZWIHPQCZ-ICSRJNTNSA-N	1	1	411.506	1.781	20	0		HDADMO
COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000675606179	1075222277	/nfs/dbraw/zinc/22/22/77/1075222277.db2.gz	XKODIAZWEJYAEM-SFHVURJKSA-N	1	1	418.538	1.061	20	0		HDADMO
COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1	ZINC000675606179	1075222281	/nfs/dbraw/zinc/22/22/81/1075222281.db2.gz	XKODIAZWEJYAEM-SFHVURJKSA-N	1	1	418.538	1.061	20	0		HDADMO
CN(C(=O)CNC(=O)c1ccccc1OC(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675606118	1075222606	/nfs/dbraw/zinc/22/26/06/1075222606.db2.gz	WAROMJAQEXPYTA-INIZCTEOSA-N	1	1	424.492	1.645	20	0		HDADMO
CN(C(=O)CNC(=O)c1ccccc1OC(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675606118	1075222610	/nfs/dbraw/zinc/22/26/10/1075222610.db2.gz	WAROMJAQEXPYTA-INIZCTEOSA-N	1	1	424.492	1.645	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccn(CCc3ccncc3)n2)CC1=O	ZINC000591642134	1075229726	/nfs/dbraw/zinc/22/97/26/1075229726.db2.gz	FHVCRBCTZFQSSH-OALUTQOASA-N	1	1	410.522	1.792	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000550838609	1075229791	/nfs/dbraw/zinc/22/97/91/1075229791.db2.gz	HXQWHUHBOZXRBF-AWEZNQCLSA-N	1	1	401.433	1.619	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[C@H](C)C1	ZINC000675594051	1075231843	/nfs/dbraw/zinc/23/18/43/1075231843.db2.gz	NZSNYZYJTBDAGS-QRQLOZEOSA-N	1	1	421.542	1.254	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)C1	ZINC000675593759	1075232158	/nfs/dbraw/zinc/23/21/58/1075232158.db2.gz	FVGJACQICQBGAV-HXUWFJFHSA-N	1	1	410.522	1.108	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675594687	1075233338	/nfs/dbraw/zinc/23/33/38/1075233338.db2.gz	BJKYUZORDOVYRC-OXQOHEQNSA-N	1	1	411.506	1.637	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675594687	1075233343	/nfs/dbraw/zinc/23/33/43/1075233343.db2.gz	BJKYUZORDOVYRC-OXQOHEQNSA-N	1	1	411.506	1.637	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)C3CCOCC3)cc2)CC1	ZINC000675602094	1075239994	/nfs/dbraw/zinc/23/99/94/1075239994.db2.gz	IXUPDAMRZGVDHI-INIZCTEOSA-N	1	1	416.522	1.334	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)n1	ZINC000426682284	1075246337	/nfs/dbraw/zinc/24/63/37/1075246337.db2.gz	HIGHZXAPUFCVCB-GOEBONIOSA-N	1	1	403.483	1.884	20	0		HDADMO
CCNS(=O)(=O)c1ccc(CNC(=O)NCC[NH+]2Cc3ccccc3C2)cc1	ZINC000675655800	1075250006	/nfs/dbraw/zinc/25/00/06/1075250006.db2.gz	ONDRKXZODYXQQN-UHFFFAOYSA-N	1	1	402.520	1.800	20	0		HDADMO
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000675663862	1075251318	/nfs/dbraw/zinc/25/13/18/1075251318.db2.gz	QXZUQPPBSSOSTH-UAGQMJEPSA-N	1	1	413.515	1.252	20	0		HDADMO
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000675663863	1075251389	/nfs/dbraw/zinc/25/13/89/1075251389.db2.gz	QXZUQPPBSSOSTH-USXIJHARSA-N	1	1	413.515	1.252	20	0		HDADMO
Cc1sc2nc(C)nc(SCC(=O)N(C)CC(=O)N3CC[NH+](C)CC3)c2c1C	ZINC000675685978	1075254578	/nfs/dbraw/zinc/25/45/78/1075254578.db2.gz	TYKNRKGRHLAAAY-UHFFFAOYSA-N	1	1	421.592	1.941	20	0		HDADMO
CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)cc2)CC1	ZINC000675702981	1075257511	/nfs/dbraw/zinc/25/75/11/1075257511.db2.gz	AXVGUAIAFXAWQA-INIZCTEOSA-N	1	1	410.465	1.555	20	0		HDADMO
COc1cc(OC)cc([C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2nccn2C)c1	ZINC000675738825	1075261626	/nfs/dbraw/zinc/26/16/26/1075261626.db2.gz	OLRUGQBFTNREHV-GOSISDBHSA-N	1	1	408.524	1.540	20	0		HDADMO
NC(=O)C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1	ZINC000544456184	1075266755	/nfs/dbraw/zinc/26/67/55/1075266755.db2.gz	FUNMIQKOGNHHHS-DZGCQCFKSA-N	1	1	402.264	1.375	20	0		HDADMO
C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1CCOCC1	ZINC000675770137	1075268810	/nfs/dbraw/zinc/26/88/10/1075268810.db2.gz	RRMMSEYTAUGKOF-MJGOQNOKSA-N	1	1	408.564	1.997	20	0		HDADMO
Cn1nc2c(c1C(=O)NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCCC2	ZINC000675786909	1075271781	/nfs/dbraw/zinc/27/17/81/1075271781.db2.gz	KLRQMGVVYLLBGC-GOSISDBHSA-N	1	1	409.534	1.926	20	0		HDADMO
O=C(CCCOc1ccc2c(c1)CCC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675799832	1075272891	/nfs/dbraw/zinc/27/28/91/1075272891.db2.gz	OBXVGQDIKSJHFO-OAQYLSRUSA-N	1	1	401.551	1.857	20	0		HDADMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1	ZINC000543645244	1075272886	/nfs/dbraw/zinc/27/28/86/1075272886.db2.gz	BIOWLECFDGGOJL-AWEZNQCLSA-N	1	1	424.523	1.110	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)CC1	ZINC000543646078	1075279664	/nfs/dbraw/zinc/27/96/64/1075279664.db2.gz	CEMNNMPBPWQTDI-UHFFFAOYSA-N	1	1	401.555	1.555	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3CC[C@H](C)CC3)n2)c1C	ZINC000434596201	1075280719	/nfs/dbraw/zinc/28/07/19/1075280719.db2.gz	NFGWSMWELYGJLS-JNSHFYNHSA-N	1	1	400.483	1.980	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C)n2)c1C	ZINC000434653779	1075280734	/nfs/dbraw/zinc/28/07/34/1075280734.db2.gz	MNPFWKUIRYEIJC-WFASDCNBSA-N	1	1	400.483	1.980	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](CC(C)C)C3)CC2)cc1	ZINC000466704417	1075284153	/nfs/dbraw/zinc/28/41/53/1075284153.db2.gz	CHCNGAXFRSBNOO-SFHVURJKSA-N	1	1	423.579	1.896	20	0		HDADMO
COc1cc(OC)c(OC)cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000675919320	1075291779	/nfs/dbraw/zinc/29/17/79/1075291779.db2.gz	YZJIXYLVDJUCBC-HNNXBMFYSA-N	1	1	421.494	1.364	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)CC1	ZINC001035207747	1075293195	/nfs/dbraw/zinc/29/31/95/1075293195.db2.gz	FXBMYVOBYFAVNN-KKEPMVJESA-N	1	1	401.551	1.641	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1=O	ZINC000675911335	1075295477	/nfs/dbraw/zinc/29/54/77/1075295477.db2.gz	TVIWEFWDSVGOOW-BHIYHBOVSA-N	1	1	404.555	1.369	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1	ZINC000479117850	1075300096	/nfs/dbraw/zinc/30/00/96/1075300096.db2.gz	IRPHSEKAFOZMPH-UHFFFAOYSA-N	1	1	402.322	1.567	20	0		HDADMO
OC[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccccc1Br	ZINC000428668240	1075307116	/nfs/dbraw/zinc/30/71/16/1075307116.db2.gz	YWQYKQJEWIXYSF-AWEZNQCLSA-N	1	1	407.312	2.339	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1	ZINC000541403750	1075312192	/nfs/dbraw/zinc/31/21/92/1075312192.db2.gz	HGPDRKLRSUKQER-MRXNPFEDSA-N	1	1	419.526	1.696	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)CC1	ZINC000731351005	1075313894	/nfs/dbraw/zinc/31/38/94/1075313894.db2.gz	IMIDBNAQDSBJOZ-UHFFFAOYSA-N	1	1	416.522	1.316	20	0		HDADMO
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731350661	1075314665	/nfs/dbraw/zinc/31/46/65/1075314665.db2.gz	BMSJVZSUOOUEQY-IBGZPJMESA-N	1	1	424.586	1.938	20	0		HDADMO
Cc1ccc(N2C(=O)C[C@H](N3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)C2=O)cc1	ZINC000731357968	1075320133	/nfs/dbraw/zinc/32/01/33/1075320133.db2.gz	XLBWJGODNXCLMU-FQEVSTJZSA-N	1	1	412.534	1.503	20	0		HDADMO
COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000675996756	1075320617	/nfs/dbraw/zinc/32/06/17/1075320617.db2.gz	VBBZWBAMXMGPHV-ROUUACIJSA-N	1	1	402.495	1.467	20	0		HDADMO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000676006465	1075323064	/nfs/dbraw/zinc/32/30/64/1075323064.db2.gz	LARSOCANXBQYAQ-RLLQIKCJSA-N	1	1	422.595	1.962	20	0		HDADMO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000676006465	1075323069	/nfs/dbraw/zinc/32/30/69/1075323069.db2.gz	LARSOCANXBQYAQ-RLLQIKCJSA-N	1	1	422.595	1.962	20	0		HDADMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCCOc2cccnc2)CC1	ZINC000804077176	1075332558	/nfs/dbraw/zinc/33/25/58/1075332558.db2.gz	JEBRLEWTUIZIPX-UHFFFAOYSA-N	1	1	410.518	1.947	20	0		HDADMO
Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n[nH]1	ZINC000676039384	1075337983	/nfs/dbraw/zinc/33/79/83/1075337983.db2.gz	LKESHCOVHQRAEF-GOSISDBHSA-N	1	1	411.554	1.739	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1	ZINC000676044623	1075339345	/nfs/dbraw/zinc/33/93/45/1075339345.db2.gz	FPBCFHUNHFWEMT-OAQYLSRUSA-N	1	1	415.534	1.937	20	0		HDADMO
O=C(NCCO)c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nn1	ZINC000676076739	1075343878	/nfs/dbraw/zinc/34/38/78/1075343878.db2.gz	FGSQYFVANKXVNT-UHFFFAOYSA-N	1	1	409.412	1.540	20	0		HDADMO
COc1ccc(-c2nnc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)s2)cc1	ZINC000436515156	1075347293	/nfs/dbraw/zinc/34/72/93/1075347293.db2.gz	XUDZNBWMCYGLLX-UHFFFAOYSA-N	1	1	406.556	2.561	20	0		HDADMO
COc1ccc(-c2nnc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)s2)cc1	ZINC000436515156	1075347295	/nfs/dbraw/zinc/34/72/95/1075347295.db2.gz	XUDZNBWMCYGLLX-UHFFFAOYSA-N	1	1	406.556	2.561	20	0		HDADMO
C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1	ZINC000676093917	1075353560	/nfs/dbraw/zinc/35/35/60/1075353560.db2.gz	BMPXLFPDDUNIOD-UHFFFAOYSA-N	1	1	422.489	1.505	20	0		HDADMO
Cc1c(C(=O)NC2CCC3(CC2)OCCO3)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000731459949	1075356106	/nfs/dbraw/zinc/35/61/06/1075356106.db2.gz	MYIGXMOBQXKYSR-UHFFFAOYSA-N	1	1	411.506	1.979	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](C(=O)OC)C1	ZINC000509380913	1075357327	/nfs/dbraw/zinc/35/73/27/1075357327.db2.gz	RLMZGTOWXFOSLW-ZIFCJYIRSA-N	1	1	420.481	1.991	20	0		HDADMO
COC(=O)N1CCC[C@@H](NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C1	ZINC000731473820	1075359721	/nfs/dbraw/zinc/35/97/21/1075359721.db2.gz	BRFLXVYNRJKBGO-MRXNPFEDSA-N	1	1	412.494	1.524	20	0		HDADMO
O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000676098730	1075363395	/nfs/dbraw/zinc/36/33/95/1075363395.db2.gz	VMNQDQQUIONLNJ-UHFFFAOYSA-N	1	1	412.494	1.167	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000731482582	1075366241	/nfs/dbraw/zinc/36/62/41/1075366241.db2.gz	MQGDCHJJVRCBMX-DLBZAZTESA-N	1	1	409.552	1.700	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000731482582	1075366247	/nfs/dbraw/zinc/36/62/47/1075366247.db2.gz	MQGDCHJJVRCBMX-DLBZAZTESA-N	1	1	409.552	1.700	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1	ZINC000804087442	1075377824	/nfs/dbraw/zinc/37/78/24/1075377824.db2.gz	JLHMAKKSYMQTGD-ZACQAIPSSA-N	1	1	408.543	1.539	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C	ZINC000804089659	1075381786	/nfs/dbraw/zinc/38/17/86/1075381786.db2.gz	CTXNMRMTGGYGGU-LTIDMASMSA-N	1	1	410.559	1.880	20	0		HDADMO
O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676131097	1075391145	/nfs/dbraw/zinc/39/11/45/1075391145.db2.gz	MUGNQFVUNDWUMA-RXVVDRJESA-N	1	1	408.502	1.977	20	0		HDADMO
CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1Cl	ZINC000676135103	1075393913	/nfs/dbraw/zinc/39/39/13/1075393913.db2.gz	UZVOZOWFAXEXSD-OAHLLOKOSA-N	1	1	421.929	1.764	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1	ZINC000676147490	1075398657	/nfs/dbraw/zinc/39/86/57/1075398657.db2.gz	HLZYGIDFROQEPA-ZHRRBRCNSA-N	1	1	419.570	1.162	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1	ZINC000676147490	1075398662	/nfs/dbraw/zinc/39/86/62/1075398662.db2.gz	HLZYGIDFROQEPA-ZHRRBRCNSA-N	1	1	419.570	1.162	20	0		HDADMO
O=C(NC1CCN(CC(F)F)CC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676148661	1075399048	/nfs/dbraw/zinc/39/90/48/1075399048.db2.gz	ZLFNVPYKPXJIHZ-MJGOQNOKSA-N	1	1	410.509	1.898	20	0		HDADMO
CCCCNC(=O)CN1CCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CC1	ZINC000731600398	1075406164	/nfs/dbraw/zinc/40/61/64/1075406164.db2.gz	LDFMGIAARUPHNZ-UHFFFAOYSA-N	1	1	421.611	1.724	20	0		HDADMO
O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000731622445	1075416902	/nfs/dbraw/zinc/41/69/02/1075416902.db2.gz	QWGUBEFQCREBRY-UHFFFAOYSA-N	1	1	414.481	1.946	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O	ZINC000466719949	1075419807	/nfs/dbraw/zinc/41/98/07/1075419807.db2.gz	SXEMFNSCXQBBGG-AEFFLSMTSA-N	1	1	420.579	1.742	20	0		HDADMO
CCn1nc(C(F)(F)F)c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1C(F)F	ZINC000676177280	1075422832	/nfs/dbraw/zinc/42/28/32/1075422832.db2.gz	HIYJCVJCAOCLMJ-UHFFFAOYSA-N	1	1	411.375	1.753	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC000509389734	1075435636	/nfs/dbraw/zinc/43/56/36/1075435636.db2.gz	UARBLLYHXHUFJX-IRXDYDNUSA-N	1	1	409.552	1.851	20	0		HDADMO
CC(C)C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1	ZINC000466719393	1075441197	/nfs/dbraw/zinc/44/11/97/1075441197.db2.gz	RKRBDTLBOSDBNF-WIYYLYMNSA-N	1	1	415.534	1.865	20	0		HDADMO
C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676242075	1075442949	/nfs/dbraw/zinc/44/29/49/1075442949.db2.gz	OFXAKBZNHRPURZ-FUHWJXTLSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676242075	1075442954	/nfs/dbraw/zinc/44/29/54/1075442954.db2.gz	OFXAKBZNHRPURZ-FUHWJXTLSA-N	1	1	424.567	1.380	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676241337	1075443580	/nfs/dbraw/zinc/44/35/80/1075443580.db2.gz	AGRLBAYIDVGGNP-MAUKXSAKSA-N	1	1	412.556	1.235	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676241337	1075443586	/nfs/dbraw/zinc/44/35/86/1075443586.db2.gz	AGRLBAYIDVGGNP-MAUKXSAKSA-N	1	1	412.556	1.235	20	0		HDADMO
C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@H]1CN(C)CCO1	ZINC000676245008	1075446968	/nfs/dbraw/zinc/44/69/68/1075446968.db2.gz	YMPMDHFDSYYHRJ-YLJYHZDGSA-N	1	1	423.989	1.870	20	0		HDADMO
C[C@H](NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CN(C)CCO1	ZINC000676246417	1075447972	/nfs/dbraw/zinc/44/79/72/1075447972.db2.gz	HPRWIZFBNIBULJ-LPHOPBHVSA-N	1	1	409.962	1.480	20	0		HDADMO
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676256775	1075451593	/nfs/dbraw/zinc/45/15/93/1075451593.db2.gz	HQTGXJZKSZJWBW-QFBILLFUSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676256775	1075451600	/nfs/dbraw/zinc/45/16/00/1075451600.db2.gz	HQTGXJZKSZJWBW-QFBILLFUSA-N	1	1	409.552	1.239	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)CCc1ccccc1F	ZINC000731670392	1075455576	/nfs/dbraw/zinc/45/55/76/1075455576.db2.gz	KRQAKMOMCLQVRB-CQSZACIVSA-N	1	1	405.495	1.925	20	0		HDADMO
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)CCc1ccccc1F	ZINC000731670392	1075455583	/nfs/dbraw/zinc/45/55/83/1075455583.db2.gz	KRQAKMOMCLQVRB-CQSZACIVSA-N	1	1	405.495	1.925	20	0		HDADMO
C[C@@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676260080	1075455815	/nfs/dbraw/zinc/45/58/15/1075455815.db2.gz	DHFPMYGSQRYHGS-RHSMWYFYSA-N	1	1	416.478	1.746	20	0		HDADMO
C[C@@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676260080	1075455819	/nfs/dbraw/zinc/45/58/19/1075455819.db2.gz	DHFPMYGSQRYHGS-RHSMWYFYSA-N	1	1	416.478	1.746	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)C2)s1	ZINC000676260306	1075459301	/nfs/dbraw/zinc/45/93/01/1075459301.db2.gz	SYIOBDQDUKVSPK-OWCLPIDISA-N	1	1	415.581	1.293	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)C2)s1	ZINC000676260306	1075459302	/nfs/dbraw/zinc/45/93/02/1075459302.db2.gz	SYIOBDQDUKVSPK-OWCLPIDISA-N	1	1	415.581	1.293	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[N@H+](C)CCO1	ZINC000676260361	1075459369	/nfs/dbraw/zinc/45/93/69/1075459369.db2.gz	CSMPAZVMSZGMGS-HNAYVOBHSA-N	1	1	409.552	1.069	20	0		HDADMO
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[N@@H+](C)CCO1	ZINC000676260361	1075459371	/nfs/dbraw/zinc/45/93/71/1075459371.db2.gz	CSMPAZVMSZGMGS-HNAYVOBHSA-N	1	1	409.552	1.069	20	0		HDADMO
C[C@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676261615	1075460698	/nfs/dbraw/zinc/46/06/98/1075460698.db2.gz	YBXGCRHNHCJTAF-DOTOQJQBSA-N	1	1	410.540	1.702	20	0		HDADMO
C[C@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676261615	1075460701	/nfs/dbraw/zinc/46/07/01/1075460701.db2.gz	YBXGCRHNHCJTAF-DOTOQJQBSA-N	1	1	410.540	1.702	20	0		HDADMO
COc1cc2ncn(CCCC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c(=O)c2cc1OC	ZINC000676262246	1075460710	/nfs/dbraw/zinc/46/07/10/1075460710.db2.gz	WVWXQKZHWSSGKH-IFXJQAMLSA-N	1	1	418.494	1.029	20	0		HDADMO
COc1cc2ncn(CCCC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c(=O)c2cc1OC	ZINC000676262246	1075460714	/nfs/dbraw/zinc/46/07/14/1075460714.db2.gz	WVWXQKZHWSSGKH-IFXJQAMLSA-N	1	1	418.494	1.029	20	0		HDADMO
C[C@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676261617	1075460733	/nfs/dbraw/zinc/46/07/33/1075460733.db2.gz	YBXGCRHNHCJTAF-RDJZCZTQSA-N	1	1	410.540	1.702	20	0		HDADMO
C[C@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261617	1075460737	/nfs/dbraw/zinc/46/07/37/1075460737.db2.gz	YBXGCRHNHCJTAF-RDJZCZTQSA-N	1	1	410.540	1.702	20	0		HDADMO
COc1cc2ncn(CCCC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)c(=O)c2cc1OC	ZINC000676262249	1075460756	/nfs/dbraw/zinc/46/07/56/1075460756.db2.gz	WVWXQKZHWSSGKH-LIRRHRJNSA-N	1	1	418.494	1.029	20	0		HDADMO
COc1cc2ncn(CCCC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)c(=O)c2cc1OC	ZINC000676262249	1075460760	/nfs/dbraw/zinc/46/07/60/1075460760.db2.gz	WVWXQKZHWSSGKH-LIRRHRJNSA-N	1	1	418.494	1.029	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1	ZINC000676263731	1075462396	/nfs/dbraw/zinc/46/23/96/1075462396.db2.gz	LFIOTYDNLMHRSP-UHFFFAOYSA-N	1	1	420.485	1.412	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000731681179	1075463621	/nfs/dbraw/zinc/46/36/21/1075463621.db2.gz	LXDQQFOCPXRQFS-IYBDPMFKSA-N	1	1	412.556	1.034	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)cc2)CC1	ZINC000676265689	1075463742	/nfs/dbraw/zinc/46/37/42/1075463742.db2.gz	XYRNEASRUGDZJS-FXAWDEMLSA-N	1	1	417.554	1.234	20	0		HDADMO
O=C(NCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccn[nH]1	ZINC000509395064	1075464366	/nfs/dbraw/zinc/46/43/66/1075464366.db2.gz	UHHQUIAIIPBSNF-GOSISDBHSA-N	1	1	409.412	1.710	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000676249104	1075465387	/nfs/dbraw/zinc/46/53/87/1075465387.db2.gz	LTKQCCHMWYCAKA-YZVOILCLSA-N	1	1	404.511	1.423	20	0		HDADMO
C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000676249104	1075465390	/nfs/dbraw/zinc/46/53/90/1075465390.db2.gz	LTKQCCHMWYCAKA-YZVOILCLSA-N	1	1	404.511	1.423	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676249102	1075465476	/nfs/dbraw/zinc/46/54/76/1075465476.db2.gz	LTKQCCHMWYCAKA-KHYOSLBOSA-N	1	1	404.511	1.423	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676249102	1075465480	/nfs/dbraw/zinc/46/54/80/1075465480.db2.gz	LTKQCCHMWYCAKA-KHYOSLBOSA-N	1	1	404.511	1.423	20	0		HDADMO
CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000731683018	1075465956	/nfs/dbraw/zinc/46/59/56/1075465956.db2.gz	YCXBIRMYLGLCIM-HXUWFJFHSA-N	1	1	422.595	1.459	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676249265	1075466636	/nfs/dbraw/zinc/46/66/36/1075466636.db2.gz	NFBLPQXFWZZWMJ-YJBOKZPZSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676249265	1075466644	/nfs/dbraw/zinc/46/66/44/1075466644.db2.gz	NFBLPQXFWZZWMJ-YJBOKZPZSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676251009	1075467277	/nfs/dbraw/zinc/46/72/77/1075467277.db2.gz	NLPSTASSZLUFMT-VBNZEHGJSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676251009	1075467283	/nfs/dbraw/zinc/46/72/83/1075467283.db2.gz	NLPSTASSZLUFMT-VBNZEHGJSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250715	1075467850	/nfs/dbraw/zinc/46/78/50/1075467850.db2.gz	IQEWGCIKZIDRCK-YJBOKZPZSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250715	1075467853	/nfs/dbraw/zinc/46/78/53/1075467853.db2.gz	IQEWGCIKZIDRCK-YJBOKZPZSA-N	1	1	408.930	1.917	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676250633	1075467884	/nfs/dbraw/zinc/46/78/84/1075467884.db2.gz	HLMJZTIMDXWOQP-APWZRJJASA-N	1	1	406.502	1.331	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676250633	1075467887	/nfs/dbraw/zinc/46/78/87/1075467887.db2.gz	HLMJZTIMDXWOQP-APWZRJJASA-N	1	1	406.502	1.331	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676253295	1075471796	/nfs/dbraw/zinc/47/17/96/1075471796.db2.gz	VMSRGAAPIYHXBP-XLIONFOSSA-N	1	1	417.554	1.234	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676253295	1075471800	/nfs/dbraw/zinc/47/18/00/1075471800.db2.gz	VMSRGAAPIYHXBP-XLIONFOSSA-N	1	1	417.554	1.234	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676254822	1075472303	/nfs/dbraw/zinc/47/23/03/1075472303.db2.gz	MNKLADDIKUDJBJ-QAPCUYQASA-N	1	1	412.556	1.948	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676254822	1075472310	/nfs/dbraw/zinc/47/23/10/1075472310.db2.gz	MNKLADDIKUDJBJ-QAPCUYQASA-N	1	1	412.556	1.948	20	0		HDADMO
COc1cccc(Cc2nnc(NC(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)s2)c1	ZINC000466150824	1075477528	/nfs/dbraw/zinc/47/75/28/1075477528.db2.gz	VOLRIEAPWPVGSR-OAHLLOKOSA-N	1	1	418.567	2.143	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676277649	1075477980	/nfs/dbraw/zinc/47/79/80/1075477980.db2.gz	BUMCZSNQKKDZNJ-OXJNMPFZSA-N	1	1	424.501	1.390	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277649	1075477984	/nfs/dbraw/zinc/47/79/84/1075477984.db2.gz	BUMCZSNQKKDZNJ-OXJNMPFZSA-N	1	1	424.501	1.390	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279091	1075478639	/nfs/dbraw/zinc/47/86/39/1075478639.db2.gz	NAPFGDFIIGDEGF-WFASDCNBSA-N	1	1	402.520	1.949	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279091	1075478640	/nfs/dbraw/zinc/47/86/40/1075478640.db2.gz	NAPFGDFIIGDEGF-WFASDCNBSA-N	1	1	402.520	1.949	20	0		HDADMO
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676278809	1075479825	/nfs/dbraw/zinc/47/98/25/1075479825.db2.gz	KIIVZLFTWPZHDJ-YJBOKZPZSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278809	1075479826	/nfs/dbraw/zinc/47/98/26/1075479826.db2.gz	KIIVZLFTWPZHDJ-YJBOKZPZSA-N	1	1	402.495	1.005	20	0		HDADMO
CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676279453	1075484537	/nfs/dbraw/zinc/48/45/37/1075484537.db2.gz	NSPSMXAAXYPZJJ-XJKSGUPXSA-N	1	1	413.902	1.529	20	0		HDADMO
CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676279453	1075484540	/nfs/dbraw/zinc/48/45/40/1075484540.db2.gz	NSPSMXAAXYPZJJ-XJKSGUPXSA-N	1	1	413.902	1.529	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280953	1075484984	/nfs/dbraw/zinc/48/49/84/1075484984.db2.gz	LAIQTIFNDKUHNZ-DNVCBOLYSA-N	1	1	410.474	1.713	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280953	1075484994	/nfs/dbraw/zinc/48/49/94/1075484994.db2.gz	LAIQTIFNDKUHNZ-DNVCBOLYSA-N	1	1	410.474	1.713	20	0		HDADMO
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676282060	1075487811	/nfs/dbraw/zinc/48/78/11/1075487811.db2.gz	QSCFNIACZOJMGA-BEFAXECRSA-N	1	1	416.522	1.441	20	0		HDADMO
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282060	1075487817	/nfs/dbraw/zinc/48/78/17/1075487817.db2.gz	QSCFNIACZOJMGA-BEFAXECRSA-N	1	1	416.522	1.441	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676283409	1075490399	/nfs/dbraw/zinc/49/03/99/1075490399.db2.gz	ZBEPMGHNPAZLIG-BDJLRTHQSA-N	1	1	408.886	1.006	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676283409	1075490402	/nfs/dbraw/zinc/49/04/02/1075490402.db2.gz	ZBEPMGHNPAZLIG-BDJLRTHQSA-N	1	1	408.886	1.006	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1NC(=O)C(C)(C)C	ZINC000676283253	1075490413	/nfs/dbraw/zinc/49/04/13/1075490413.db2.gz	YGOCSUNEKRVZPZ-WMLDXEAASA-N	1	1	404.511	1.753	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1NC(=O)C(C)(C)C	ZINC000676283253	1075490414	/nfs/dbraw/zinc/49/04/14/1075490414.db2.gz	YGOCSUNEKRVZPZ-WMLDXEAASA-N	1	1	404.511	1.753	20	0		HDADMO
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C2=O	ZINC000676286927	1075491027	/nfs/dbraw/zinc/49/10/27/1075491027.db2.gz	KKHGFCNXEKFMCP-PYCORMQUSA-N	1	1	422.570	1.739	20	0		HDADMO
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C2=O	ZINC000676286927	1075491030	/nfs/dbraw/zinc/49/10/30/1075491030.db2.gz	KKHGFCNXEKFMCP-PYCORMQUSA-N	1	1	422.570	1.739	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C	ZINC000542898772	1075491116	/nfs/dbraw/zinc/49/11/16/1075491116.db2.gz	WVDZXHIWXVOJKE-HNAYVOBHSA-N	1	1	413.522	1.984	20	0		HDADMO
CC(C)[N@@H+](C)CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000509401152	1075491452	/nfs/dbraw/zinc/49/14/52/1075491452.db2.gz	DJCFGFPAAKLFLS-UHFFFAOYSA-N	1	1	411.568	1.487	20	0		HDADMO
COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)N2CCOCC2)cc1	ZINC000676289074	1075492746	/nfs/dbraw/zinc/49/27/46/1075492746.db2.gz	KZTLNNPENUMEHN-VDGAXYAQSA-N	1	1	406.527	1.087	20	0		HDADMO
COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)N2CCOCC2)cc1	ZINC000676289074	1075492750	/nfs/dbraw/zinc/49/27/50/1075492750.db2.gz	KZTLNNPENUMEHN-VDGAXYAQSA-N	1	1	406.527	1.087	20	0		HDADMO
C[C@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1C[N@H+](C)CCO1	ZINC000676307358	1075493161	/nfs/dbraw/zinc/49/31/61/1075493161.db2.gz	PBJLLPNUAZIIJZ-ZBEGNZNMSA-N	1	1	401.410	1.877	20	0		HDADMO
C[C@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307358	1075493167	/nfs/dbraw/zinc/49/31/67/1075493167.db2.gz	PBJLLPNUAZIIJZ-ZBEGNZNMSA-N	1	1	401.410	1.877	20	0		HDADMO
O=C(NCCNc1nc(N2CCOCC2)cc[nH+]1)c1cccc(Br)c1	ZINC000676309145	1075493650	/nfs/dbraw/zinc/49/36/50/1075493650.db2.gz	DXTMKTXGJBHQFG-UHFFFAOYSA-N	1	1	406.284	1.918	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676289346	1075494856	/nfs/dbraw/zinc/49/48/56/1075494856.db2.gz	FPHLTWHYSHCMBZ-KXBFYZLASA-N	1	1	421.519	1.515	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676289346	1075494866	/nfs/dbraw/zinc/49/48/66/1075494866.db2.gz	FPHLTWHYSHCMBZ-KXBFYZLASA-N	1	1	421.519	1.515	20	0		HDADMO
C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@H]1C[N@H+](C)CCO1	ZINC000676290428	1075495487	/nfs/dbraw/zinc/49/54/87/1075495487.db2.gz	OCLXUWRMYPXBGH-GHMZBOCLSA-N	1	1	404.330	1.418	20	0		HDADMO
C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@H]1C[N@@H+](C)CCO1	ZINC000676290428	1075495492	/nfs/dbraw/zinc/49/54/92/1075495492.db2.gz	OCLXUWRMYPXBGH-GHMZBOCLSA-N	1	1	404.330	1.418	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676291975	1075495992	/nfs/dbraw/zinc/49/59/92/1075495992.db2.gz	GZPQXYKDDUEOIO-JXFKEZNVSA-N	1	1	418.538	1.247	20	0		HDADMO
COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676291975	1075495995	/nfs/dbraw/zinc/49/59/95/1075495995.db2.gz	GZPQXYKDDUEOIO-JXFKEZNVSA-N	1	1	418.538	1.247	20	0		HDADMO
CC[C@H](NC(=O)Nc1ccn(CC(=O)OC)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000473829221	1075500039	/nfs/dbraw/zinc/50/00/39/1075500039.db2.gz	ZUIABXJAADULLX-ZWKOTPCHSA-N	1	1	415.494	1.857	20	0		HDADMO
CC[C@H](NC(=O)Nc1ccn(CC(=O)OC)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000473829221	1075500046	/nfs/dbraw/zinc/50/00/46/1075500046.db2.gz	ZUIABXJAADULLX-ZWKOTPCHSA-N	1	1	415.494	1.857	20	0		HDADMO
C[C@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676304881	1075502734	/nfs/dbraw/zinc/50/27/34/1075502734.db2.gz	NDSPJKCHPFMWLZ-KSSFIOAISA-N	1	1	407.490	1.840	20	0		HDADMO
C[C@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676304881	1075502736	/nfs/dbraw/zinc/50/27/36/1075502736.db2.gz	NDSPJKCHPFMWLZ-KSSFIOAISA-N	1	1	407.490	1.840	20	0		HDADMO
C[C@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676307577	1075505779	/nfs/dbraw/zinc/50/57/79/1075505779.db2.gz	PTZBLXRSBUKZOL-OFQRWUPVSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676307577	1075505785	/nfs/dbraw/zinc/50/57/85/1075505785.db2.gz	PTZBLXRSBUKZOL-OFQRWUPVSA-N	1	1	409.918	1.814	20	0		HDADMO
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000676316815	1075506481	/nfs/dbraw/zinc/50/64/81/1075506481.db2.gz	BDSLNVRYYSGEFB-MJGOQNOKSA-N	1	1	402.539	1.441	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)oc1C	ZINC000498794066	1075515754	/nfs/dbraw/zinc/51/57/54/1075515754.db2.gz	GXLCYHSGBWBUOV-UHFFFAOYSA-N	1	1	414.510	1.791	20	0		HDADMO
CCOC(=O)/C=C/c1ccc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1	ZINC000731761739	1075516838	/nfs/dbraw/zinc/51/68/38/1075516838.db2.gz	BDHSBSOWVSFQKG-JXMROGBWSA-N	1	1	402.495	1.937	20	0		HDADMO
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000429426315	1075519101	/nfs/dbraw/zinc/51/91/01/1075519101.db2.gz	FKHBCTRGPFHHLX-INIZCTEOSA-N	1	1	406.552	1.714	20	0		HDADMO
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000429426315	1075519103	/nfs/dbraw/zinc/51/91/03/1075519103.db2.gz	FKHBCTRGPFHHLX-INIZCTEOSA-N	1	1	406.552	1.714	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676332559	1075522566	/nfs/dbraw/zinc/52/25/66/1075522566.db2.gz	OKQLIMQSNUNRGN-MGPUTAFESA-N	1	1	419.522	1.391	20	0		HDADMO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676332559	1075522572	/nfs/dbraw/zinc/52/25/72/1075522572.db2.gz	OKQLIMQSNUNRGN-MGPUTAFESA-N	1	1	419.522	1.391	20	0		HDADMO
C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676333663	1075523343	/nfs/dbraw/zinc/52/33/43/1075523343.db2.gz	NCUKCPUYBFGDDU-RCBQFDQVSA-N	1	1	408.886	1.380	20	0		HDADMO
C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676333663	1075523349	/nfs/dbraw/zinc/52/33/49/1075523349.db2.gz	NCUKCPUYBFGDDU-RCBQFDQVSA-N	1	1	408.886	1.380	20	0		HDADMO
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676333794	1075523415	/nfs/dbraw/zinc/52/34/15/1075523415.db2.gz	OZDMMNLJKISBOC-DYVFJYSZSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676333794	1075523422	/nfs/dbraw/zinc/52/34/22/1075523422.db2.gz	OZDMMNLJKISBOC-DYVFJYSZSA-N	1	1	405.524	1.512	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1Cl	ZINC000731826646	1075524868	/nfs/dbraw/zinc/52/48/68/1075524868.db2.gz	HHRUKMKBBJXNRE-CQSZACIVSA-N	1	1	417.959	1.509	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CC1	ZINC000731826877	1075525600	/nfs/dbraw/zinc/52/56/00/1075525600.db2.gz	OFHNJOFRFSBHRB-APWZRJJASA-N	1	1	416.522	1.488	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1	ZINC000676365985	1075525631	/nfs/dbraw/zinc/52/56/31/1075525631.db2.gz	HRYMOXNBBXJLNY-UHFFFAOYSA-N	1	1	405.474	1.989	20	0		HDADMO
CCOC(=O)C1C(CN2CCC[C@@H]([NH+](C)C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000731847332	1075530771	/nfs/dbraw/zinc/53/07/71/1075530771.db2.gz	HDRWQYZKLMMYFA-OXQOHEQNSA-N	1	1	416.522	1.892	20	0		HDADMO
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1	ZINC000731850307	1075532489	/nfs/dbraw/zinc/53/24/89/1075532489.db2.gz	UVHLEMNCADZCOL-KRWDZBQOSA-N	1	1	419.526	1.051	20	0		HDADMO
C[N@H+]1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1	ZINC000731852426	1075534468	/nfs/dbraw/zinc/53/44/68/1075534468.db2.gz	PMRXIGQDXVFFOY-ZDUSSCGKSA-N	1	1	400.932	1.204	20	0		HDADMO
CC(=O)N[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1	ZINC000676388608	1075534826	/nfs/dbraw/zinc/53/48/26/1075534826.db2.gz	PMWWKBQWGWZLIK-MSOLQXFVSA-N	1	1	424.339	1.950	20	0		HDADMO
COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000676393198	1075541090	/nfs/dbraw/zinc/54/10/90/1075541090.db2.gz	MUNNNUKMXBRALL-WBVHZDCISA-N	1	1	410.536	1.475	20	0		HDADMO
O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000676392716	1075541189	/nfs/dbraw/zinc/54/11/89/1075541189.db2.gz	HCPBGVDQYFRKSG-IBGZPJMESA-N	1	1	406.548	1.709	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676400477	1075543900	/nfs/dbraw/zinc/54/39/00/1075543900.db2.gz	FMNKKHALTXMQJU-CZUORRHYSA-N	1	1	417.510	1.479	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676400477	1075543902	/nfs/dbraw/zinc/54/39/02/1075543902.db2.gz	FMNKKHALTXMQJU-CZUORRHYSA-N	1	1	417.510	1.479	20	0		HDADMO
CC[C@@H](CO)[NH+]1CCN(C(=O)CSc2nncn2-c2ccc(OC)cc2)CC1	ZINC000676408215	1075544933	/nfs/dbraw/zinc/54/49/33/1075544933.db2.gz	PCQGKYRIECCTHQ-HNNXBMFYSA-N	1	1	405.524	1.283	20	0		HDADMO
O=C(NCCC1(O)CCOCC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000509412349	1075545403	/nfs/dbraw/zinc/54/54/03/1075545403.db2.gz	ZMGVWVGTQUCTBA-UHFFFAOYSA-N	1	1	406.527	1.247	20	0		HDADMO
CS(=O)(=O)c1ccc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nc1	ZINC000552952928	1075545418	/nfs/dbraw/zinc/54/54/18/1075545418.db2.gz	WFCCCYKVEGYMFI-UHFFFAOYSA-N	1	1	418.519	1.758	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1	ZINC000804221762	1075547309	/nfs/dbraw/zinc/54/73/09/1075547309.db2.gz	VGFFGCMZNFVQGS-HOTGVXAUSA-N	1	1	422.545	1.811	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC000731873950	1075549410	/nfs/dbraw/zinc/54/94/10/1075549410.db2.gz	XWTWMMIKMPHGQF-IERDGZPVSA-N	1	1	402.495	1.453	20	0		HDADMO
Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2)cc1	ZINC000731878068	1075550187	/nfs/dbraw/zinc/55/01/87/1075550187.db2.gz	FIZZWVRQTSQNTP-ROUUACIJSA-N	1	1	403.504	1.627	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C1	ZINC000676452521	1075558645	/nfs/dbraw/zinc/55/86/45/1075558645.db2.gz	CKDIZXVNIMWXEF-TZIWHRDSSA-N	1	1	420.513	1.962	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](n2ccnc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000676477619	1075560693	/nfs/dbraw/zinc/56/06/93/1075560693.db2.gz	JRXMVXWHKUMPDJ-GOSISDBHSA-N	1	1	417.535	1.053	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)CCO2	ZINC000676494622	1075565672	/nfs/dbraw/zinc/56/56/72/1075565672.db2.gz	BCGHLSMTRYWPEL-IBGZPJMESA-N	1	1	419.522	1.330	20	0		HDADMO
CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1	ZINC000676486605	1075568141	/nfs/dbraw/zinc/56/81/41/1075568141.db2.gz	ZTEOLBZQOHTXSQ-HXUWFJFHSA-N	1	1	408.587	1.863	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1	ZINC000731919580	1075571007	/nfs/dbraw/zinc/57/10/07/1075571007.db2.gz	VPSDMFFPMWSETC-UHFFFAOYSA-N	1	1	424.519	1.658	20	0		HDADMO
CCn1nc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C1CC1	ZINC000468439972	1075571297	/nfs/dbraw/zinc/57/12/97/1075571297.db2.gz	SFESUBLBYFJBQP-UHFFFAOYSA-N	1	1	411.506	1.868	20	0		HDADMO
C[C@@H](CNC(=O)Nc1nnc(Cc2cccc(F)c2)s1)CN1CC[NH+](C)CC1	ZINC000438027046	1075575172	/nfs/dbraw/zinc/57/51/72/1075575172.db2.gz	OECNBLJVMGBPIT-AWEZNQCLSA-N	1	1	406.531	2.273	20	0		HDADMO
Cc1onc(NC(=O)C(=O)N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)c1C	ZINC000584282091	1075579065	/nfs/dbraw/zinc/57/90/65/1075579065.db2.gz	HEMKXBGFAYTWCN-HNNXBMFYSA-N	1	1	408.499	1.885	20	0		HDADMO
Cc1onc(NC(=O)C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c1C	ZINC000584282091	1075579072	/nfs/dbraw/zinc/57/90/72/1075579072.db2.gz	HEMKXBGFAYTWCN-HNNXBMFYSA-N	1	1	408.499	1.885	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000731978269	1075581905	/nfs/dbraw/zinc/58/19/05/1075581905.db2.gz	GDLAZMOZOHJSCY-QULHZPMSSA-N	1	1	407.474	1.543	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000731978269	1075581907	/nfs/dbraw/zinc/58/19/07/1075581907.db2.gz	GDLAZMOZOHJSCY-QULHZPMSSA-N	1	1	407.474	1.543	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000731978041	1075582295	/nfs/dbraw/zinc/58/22/95/1075582295.db2.gz	JLQKOYVMYLOWJH-BAQGIRSFSA-N	1	1	407.474	1.481	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000731979042	1075582553	/nfs/dbraw/zinc/58/25/53/1075582553.db2.gz	ZZYLPYKZOSSZCT-YVMONPNESA-N	1	1	421.501	1.410	20	0		HDADMO
CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000946911678	1075588541	/nfs/dbraw/zinc/58/85/41/1075588541.db2.gz	GLQPXISRPHNDIT-TZZQWLEDSA-N	1	1	400.523	1.927	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000676555943	1075588757	/nfs/dbraw/zinc/58/87/57/1075588757.db2.gz	LPMTZGQVLWZDME-AYOQOUSVSA-N	1	1	401.511	1.476	20	0		HDADMO
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000676555945	1075588841	/nfs/dbraw/zinc/58/88/41/1075588841.db2.gz	LPMTZGQVLWZDME-SNRMKQJTSA-N	1	1	401.511	1.476	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cnnn1	ZINC000676555713	1075589214	/nfs/dbraw/zinc/58/92/14/1075589214.db2.gz	GLXHYZOAHUPTLV-DNVCBOLYSA-N	1	1	409.494	1.385	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)/C=C\c3cncc(C(=O)NC)c3)cc2)CC1	ZINC000732058251	1075596904	/nfs/dbraw/zinc/59/69/04/1075596904.db2.gz	QUHRUVMIOMGFHK-HJWRWDBZSA-N	1	1	421.545	1.908	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc2)CC1	ZINC000732061627	1075598297	/nfs/dbraw/zinc/59/82/97/1075598297.db2.gz	JXFXLUJSAKGNMQ-UHFFFAOYSA-N	1	1	416.400	1.230	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(N2CCOC2=O)cc1	ZINC000732061333	1075598699	/nfs/dbraw/zinc/59/86/99/1075598699.db2.gz	FMIDMGNSMPCFKJ-GOSISDBHSA-N	1	1	416.478	1.295	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc2)C1	ZINC000732066136	1075601406	/nfs/dbraw/zinc/60/14/06/1075601406.db2.gz	CQBORCDFSCFCMS-ZDUSSCGKSA-N	1	1	416.400	1.611	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1nc2ccccc2s1	ZINC000804171213	1075602153	/nfs/dbraw/zinc/60/21/53/1075602153.db2.gz	FAWFUUGHMVGBOK-ZIAGYGMSSA-N	1	1	404.536	1.777	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1nc2ccccc2s1	ZINC000804171213	1075602159	/nfs/dbraw/zinc/60/21/59/1075602159.db2.gz	FAWFUUGHMVGBOK-ZIAGYGMSSA-N	1	1	404.536	1.777	20	0		HDADMO
COC1(CNC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CCOCC1	ZINC000676564624	1075602568	/nfs/dbraw/zinc/60/25/68/1075602568.db2.gz	BZFAIAZBCFTYBU-HXUWFJFHSA-N	1	1	404.555	1.860	20	0		HDADMO
COC1(CNC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCOCC1	ZINC000676564624	1075602571	/nfs/dbraw/zinc/60/25/71/1075602571.db2.gz	BZFAIAZBCFTYBU-HXUWFJFHSA-N	1	1	404.555	1.860	20	0		HDADMO
COC1(CNC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCOCC1	ZINC000676564624	1075602574	/nfs/dbraw/zinc/60/25/74/1075602574.db2.gz	BZFAIAZBCFTYBU-HXUWFJFHSA-N	1	1	404.555	1.860	20	0		HDADMO
CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1	ZINC000804176298	1075603630	/nfs/dbraw/zinc/60/36/30/1075603630.db2.gz	JQFFHVNAQRAKPD-SJORKVTESA-N	1	1	420.510	1.578	20	0		HDADMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000550717344	1075606142	/nfs/dbraw/zinc/60/61/42/1075606142.db2.gz	DUNXWNKXGMYOTG-CYBMUJFWSA-N	1	1	420.311	2.126	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[NH+]2CCCC2)o1	ZINC000804176138	1075607857	/nfs/dbraw/zinc/60/78/57/1075607857.db2.gz	DADXCUZENQDIJH-INIZCTEOSA-N	1	1	422.526	1.824	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)[NH+]2CCCC2)o1	ZINC000804177043	1075608275	/nfs/dbraw/zinc/60/82/75/1075608275.db2.gz	YZEUIZNGCVXYDO-MSOLQXFVSA-N	1	1	413.522	1.981	20	0		HDADMO
O=S(=O)(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc2c1OCO2	ZINC000509426818	1075610501	/nfs/dbraw/zinc/61/05/01/1075610501.db2.gz	VDCSFUMYGCDZJX-UHFFFAOYSA-N	1	1	403.504	1.906	20	0		HDADMO
COc1cccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1	ZINC001006133979	1075612247	/nfs/dbraw/zinc/61/22/47/1075612247.db2.gz	JCWBOZGCMRUDQO-TVFZMDHNSA-N	1	1	401.507	1.205	20	0		HDADMO
COc1cccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1	ZINC001006133979	1075612253	/nfs/dbraw/zinc/61/22/53/1075612253.db2.gz	JCWBOZGCMRUDQO-TVFZMDHNSA-N	1	1	401.507	1.205	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C	ZINC000804181946	1075618375	/nfs/dbraw/zinc/61/83/75/1075618375.db2.gz	VJTGSOBAIWHDCD-UHFFFAOYSA-N	1	1	418.538	1.704	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCOCC1	ZINC000676622377	1075620560	/nfs/dbraw/zinc/62/05/60/1075620560.db2.gz	YGARODDQYJTRJI-CALCHBBNSA-N	1	1	419.522	1.546	20	0		HDADMO
COC1(CNC(=O)C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCOCC1	ZINC000676622377	1075620563	/nfs/dbraw/zinc/62/05/63/1075620563.db2.gz	YGARODDQYJTRJI-CALCHBBNSA-N	1	1	419.522	1.546	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1	ZINC000676631273	1075624786	/nfs/dbraw/zinc/62/47/86/1075624786.db2.gz	PJGXDNQHMFYIRN-LBPRGKRZSA-N	1	1	415.460	1.640	20	0		HDADMO
C[N@@H+](CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C[C@H](O)C1CC1	ZINC000676632047	1075625292	/nfs/dbraw/zinc/62/52/92/1075625292.db2.gz	CUTXFGNTXZTVOO-FQEVSTJZSA-N	1	1	421.563	1.453	20	0		HDADMO
C[N@H+](CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C[C@H](O)C1CC1	ZINC000676632047	1075625296	/nfs/dbraw/zinc/62/52/96/1075625296.db2.gz	CUTXFGNTXZTVOO-FQEVSTJZSA-N	1	1	421.563	1.453	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+](C)C[C@@H](O)C2CC2)C2CCCC2)c(=O)[nH]c1=O	ZINC000676633035	1075625629	/nfs/dbraw/zinc/62/56/29/1075625629.db2.gz	SIWDMKCCUHXIIK-MRXNPFEDSA-N	1	1	421.542	1.310	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000485333739	1075626283	/nfs/dbraw/zinc/62/62/83/1075626283.db2.gz	XBNYTPFEXCSZNH-QGZVFWFLSA-N	1	1	411.554	1.914	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C	ZINC000804183287	1075627348	/nfs/dbraw/zinc/62/73/48/1075627348.db2.gz	QWPKLCRDTQOZNJ-SJLPKXTDSA-N	1	1	418.538	1.606	20	0		HDADMO
COc1cccc(/C=C(\C(=O)N(C)CCC[NH+]2CCN(C)CC2)n2nnnc2C)c1	ZINC000732115057	1075628612	/nfs/dbraw/zinc/62/86/12/1075628612.db2.gz	WNMQLSIVCLQUOY-CAPFRKAQSA-N	1	1	413.526	1.084	20	0		HDADMO
NC(=O)c1coc(CNC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c1	ZINC000429454870	1075630785	/nfs/dbraw/zinc/63/07/85/1075630785.db2.gz	USQVVXXBSUCFGM-UHFFFAOYSA-N	1	1	411.462	1.987	20	0		HDADMO
COc1ccc(CN(C)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cn1	ZINC000676644971	1075631964	/nfs/dbraw/zinc/63/19/64/1075631964.db2.gz	GBRJOOOEEIOHSX-UHFFFAOYSA-N	1	1	411.506	1.819	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(C)c1S(=O)(=O)NC1CC1	ZINC000429454427	1075633054	/nfs/dbraw/zinc/63/30/54/1075633054.db2.gz	UCUWRTNNCJIFEP-CQSZACIVSA-N	1	1	410.540	1.274	20	0		HDADMO
Cn1cc(/C=C\C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(=O)n(C)c1=O	ZINC000732134501	1075633095	/nfs/dbraw/zinc/63/30/95/1075633095.db2.gz	AGWBVGOMJNVZBT-JGEKLNCASA-N	1	1	408.502	1.409	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(C)c1S(=O)(=O)NC1CC1	ZINC000429454427	1075633059	/nfs/dbraw/zinc/63/30/59/1075633059.db2.gz	UCUWRTNNCJIFEP-CQSZACIVSA-N	1	1	410.540	1.274	20	0		HDADMO
CN(C)c1nc(N)nc(COc2cccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)c2)n1	ZINC000485848920	1075633552	/nfs/dbraw/zinc/63/35/52/1075633552.db2.gz	CICOIGUGTMHNAB-HNNXBMFYSA-N	1	1	408.466	1.811	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N(C)CCC[NH+]3CCN(C)CC3)c(=O)[nH]c21	ZINC000732114455	1075635962	/nfs/dbraw/zinc/63/59/62/1075635962.db2.gz	MUCBUKIQJMKNSS-VOTSOKGWSA-N	1	1	400.527	1.415	20	0		HDADMO
CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2nc(N)nc(Nc3ccccc3OC)n2)C1	ZINC000581289974	1075636926	/nfs/dbraw/zinc/63/69/26/1075636926.db2.gz	JKJXAOZNGLZMMX-OAQYLSRUSA-N	1	1	414.510	2.039	20	0		HDADMO
CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2nc(N)nc(Nc3ccccc3OC)n2)C1	ZINC000581289974	1075636934	/nfs/dbraw/zinc/63/69/34/1075636934.db2.gz	JKJXAOZNGLZMMX-OAQYLSRUSA-N	1	1	414.510	2.039	20	0		HDADMO
CN(C)c1nc(N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)cc[nH+]1	ZINC000533531528	1075638110	/nfs/dbraw/zinc/63/81/10/1075638110.db2.gz	KSWBLSNCUCCDLC-UHFFFAOYSA-N	1	1	424.488	1.515	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C	ZINC000732149339	1075649741	/nfs/dbraw/zinc/64/97/41/1075649741.db2.gz	HVKVXWSGAAXJLP-RBUKOAKNSA-N	1	1	402.539	1.710	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1	ZINC000732149334	1075649780	/nfs/dbraw/zinc/64/97/80/1075649780.db2.gz	HTUDKOVDEYWFCT-CQSZACIVSA-N	1	1	407.565	1.290	20	0		HDADMO
Cn1nccc1C1=CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000804199083	1075649989	/nfs/dbraw/zinc/64/99/89/1075649989.db2.gz	YRPYENNHBLHDFK-UHFFFAOYSA-N	1	1	403.527	1.979	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSCc2nc(N)c3ccccc3n2)C1	ZINC000517965317	1075652098	/nfs/dbraw/zinc/65/20/98/1075652098.db2.gz	GZCNADFXGVTEQJ-OAHLLOKOSA-N	1	1	403.552	1.918	20	0		HDADMO
CNC(=O)c1nn(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(=O)c2ccccc21	ZINC000732187541	1075653618	/nfs/dbraw/zinc/65/36/18/1075653618.db2.gz	PQZPQFWBFVPWOI-QGZVFWFLSA-N	1	1	405.502	1.920	20	0		HDADMO
CN(Cn1nc(CCC(N)=O)n(C[C@@H]2CCCO2)c1=S)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732190071	1075655382	/nfs/dbraw/zinc/65/53/82/1075655382.db2.gz	WJDXGDNJNSHEKA-CVEARBPZSA-N	1	1	408.572	1.137	20	0		HDADMO
CCN(C(=O)C[N@@H+]1CCCOC[C@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000676712622	1075657387	/nfs/dbraw/zinc/65/73/87/1075657387.db2.gz	BDUORCRPMVCBBX-OAHLLOKOSA-N	1	1	415.494	1.043	20	0		HDADMO
CCN(C(=O)C[N@H+]1CCCOC[C@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000676712622	1075657391	/nfs/dbraw/zinc/65/73/91/1075657391.db2.gz	BDUORCRPMVCBBX-OAHLLOKOSA-N	1	1	415.494	1.043	20	0		HDADMO
CC(C)[N@@H+](Cc1nc(N)c2ccccc2n1)C[C@@H](O)COc1ccc(CC(N)=O)cc1	ZINC000542134579	1075659251	/nfs/dbraw/zinc/65/92/51/1075659251.db2.gz	LBIUFGYOENQIFQ-QGZVFWFLSA-N	1	1	423.517	1.890	20	0		HDADMO
CC(C)[N@H+](Cc1nc(N)c2ccccc2n1)C[C@@H](O)COc1ccc(CC(N)=O)cc1	ZINC000542134579	1075659253	/nfs/dbraw/zinc/65/92/53/1075659253.db2.gz	LBIUFGYOENQIFQ-QGZVFWFLSA-N	1	1	423.517	1.890	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@H+](CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1	ZINC000732206800	1075664035	/nfs/dbraw/zinc/66/40/35/1075664035.db2.gz	DBAXRURXGBLYEL-MAUKXSAKSA-N	1	1	400.479	1.268	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@@H+](CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1	ZINC000732206800	1075664037	/nfs/dbraw/zinc/66/40/37/1075664037.db2.gz	DBAXRURXGBLYEL-MAUKXSAKSA-N	1	1	400.479	1.268	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@H+](CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1	ZINC000732206799	1075664108	/nfs/dbraw/zinc/66/41/08/1075664108.db2.gz	DBAXRURXGBLYEL-CRAIPNDOSA-N	1	1	400.479	1.268	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@@H+](CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1	ZINC000732206799	1075664110	/nfs/dbraw/zinc/66/41/10/1075664110.db2.gz	DBAXRURXGBLYEL-CRAIPNDOSA-N	1	1	400.479	1.268	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1	ZINC000732207521	1075665518	/nfs/dbraw/zinc/66/55/18/1075665518.db2.gz	WKMRMWNJPXBWEI-INIZCTEOSA-N	1	1	412.575	1.937	20	0		HDADMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1	ZINC000732207521	1075665520	/nfs/dbraw/zinc/66/55/20/1075665520.db2.gz	WKMRMWNJPXBWEI-INIZCTEOSA-N	1	1	412.575	1.937	20	0		HDADMO
C[N@H+](CCn1cccn1)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	ZINC000732209400	1075666726	/nfs/dbraw/zinc/66/67/26/1075666726.db2.gz	KKHZSWNCVQCGQB-FOWTUZBSSA-N	1	1	414.491	1.063	20	0		HDADMO
C[N@@H+](CCn1cccn1)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	ZINC000732209400	1075666727	/nfs/dbraw/zinc/66/67/27/1075666727.db2.gz	KKHZSWNCVQCGQB-FOWTUZBSSA-N	1	1	414.491	1.063	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000509432050	1075668371	/nfs/dbraw/zinc/66/83/71/1075668371.db2.gz	PCJBTXXGFSCISF-NWDGAFQWSA-N	1	1	410.540	1.556	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000732211104	1075668477	/nfs/dbraw/zinc/66/84/77/1075668477.db2.gz	JDFQKZJRBJAZSP-KRWDZBQOSA-N	1	1	418.563	1.509	20	0		HDADMO
CC[NH+](CC)CCOC1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000466740767	1075669007	/nfs/dbraw/zinc/66/90/07/1075669007.db2.gz	HAAJJGPTRWOSIF-UHFFFAOYSA-N	1	1	420.554	1.387	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C1	ZINC000559024615	1075669096	/nfs/dbraw/zinc/66/90/96/1075669096.db2.gz	OWLZNQMSPPWAQC-OAHLLOKOSA-N	1	1	400.483	2.147	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C1	ZINC000559024615	1075669097	/nfs/dbraw/zinc/66/90/97/1075669097.db2.gz	OWLZNQMSPPWAQC-OAHLLOKOSA-N	1	1	400.483	2.147	20	0		HDADMO
CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000732213112	1075669186	/nfs/dbraw/zinc/66/91/86/1075669186.db2.gz	XSBZDSRVNXUNRL-GOSISDBHSA-N	1	1	402.539	1.950	20	0		HDADMO
CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000732213112	1075669192	/nfs/dbraw/zinc/66/91/92/1075669192.db2.gz	XSBZDSRVNXUNRL-GOSISDBHSA-N	1	1	402.539	1.950	20	0		HDADMO
CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1	ZINC000676739393	1075671489	/nfs/dbraw/zinc/67/14/89/1075671489.db2.gz	RRKJVVJEZMBATR-NSHDSACASA-N	1	1	405.904	1.309	20	0		HDADMO
CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1	ZINC000505005807	1075672579	/nfs/dbraw/zinc/67/25/79/1075672579.db2.gz	NXMLZJXSYDBQQP-QGZVFWFLSA-N	1	1	403.508	1.298	20	0		HDADMO
COCc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c(N)n1	ZINC000500925717	1075673797	/nfs/dbraw/zinc/67/37/97/1075673797.db2.gz	ONDOIXVEJYAOGA-AWEZNQCLSA-N	1	1	401.467	1.227	20	0		HDADMO
COCc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)c(N)n1	ZINC000500925717	1075673801	/nfs/dbraw/zinc/67/38/01/1075673801.db2.gz	ONDOIXVEJYAOGA-AWEZNQCLSA-N	1	1	401.467	1.227	20	0		HDADMO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1	ZINC000732198797	1075674223	/nfs/dbraw/zinc/67/42/23/1075674223.db2.gz	FTSIPRPZRVUJPA-SFHVURJKSA-N	1	1	410.559	1.110	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1	ZINC000732202140	1075674714	/nfs/dbraw/zinc/67/47/14/1075674714.db2.gz	VRXMRWWODOUKOJ-QGZVFWFLSA-N	1	1	421.496	1.866	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(N3C(=O)[C@@H](COC(C)C)N(C)C3=O)cc2)CC1	ZINC000804210607	1075683811	/nfs/dbraw/zinc/68/38/11/1075683811.db2.gz	PCQYNWIDZQGGJR-LJQANCHMSA-N	1	1	416.522	1.585	20	0		HDADMO
Cc1nn(C)c2nc(Cl)c(C[NH2+]CCS(=O)(=O)NC[C@@H]3CCCCO3)cc12	ZINC000732231420	1075684748	/nfs/dbraw/zinc/68/47/48/1075684748.db2.gz	VKEKKHFNXMZPNY-AWEZNQCLSA-N	1	1	415.947	1.508	20	0		HDADMO
COc1cccc([C@@H](O)CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000732234688	1075685602	/nfs/dbraw/zinc/68/56/02/1075685602.db2.gz	VDOHOQYOEXPQJC-UXHICEINSA-N	1	1	412.490	2.000	20	0		HDADMO
COc1cccc([C@@H](O)CNC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000732234688	1075685608	/nfs/dbraw/zinc/68/56/08/1075685608.db2.gz	VDOHOQYOEXPQJC-UXHICEINSA-N	1	1	412.490	2.000	20	0		HDADMO
CC[N@@H+](C)Cc1cccc(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1	ZINC000141730405	1075687195	/nfs/dbraw/zinc/68/71/95/1075687195.db2.gz	DLNUKBWNJBFDBU-UHFFFAOYSA-N	1	1	414.531	1.883	20	0		HDADMO
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)C3)CC2)c1	ZINC000028903878	1075689111	/nfs/dbraw/zinc/68/91/11/1075689111.db2.gz	LDUADIWQZLUOQR-INIZCTEOSA-N	1	1	407.536	1.454	20	0		HDADMO
COCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O	ZINC000028932480	1075690208	/nfs/dbraw/zinc/69/02/08/1075690208.db2.gz	AQHWIKYJOZMACZ-UHFFFAOYSA-N	1	1	402.495	1.377	20	0		HDADMO
COCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O	ZINC000028932480	1075690214	/nfs/dbraw/zinc/69/02/14/1075690214.db2.gz	AQHWIKYJOZMACZ-UHFFFAOYSA-N	1	1	402.495	1.377	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1=O	ZINC000732307132	1075694694	/nfs/dbraw/zinc/69/46/94/1075694694.db2.gz	DGJPCFYHPLWLFT-IXDOHACOSA-N	1	1	408.543	1.445	20	0		HDADMO
CCn1cc(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)cn1	ZINC001084996726	1075696680	/nfs/dbraw/zinc/69/66/80/1075696680.db2.gz	XROXLAYITWGXOU-NXNFSMPISA-N	1	1	402.539	1.420	20	0		HDADMO
CNc1cc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)n1	ZINC000732281573	1075697033	/nfs/dbraw/zinc/69/70/33/1075697033.db2.gz	QCZIBCVQWCEDSX-UHFFFAOYSA-N	1	1	401.898	1.851	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1	ZINC000494443116	1075699713	/nfs/dbraw/zinc/69/97/13/1075699713.db2.gz	AQMSZIVSKUIRBE-WBVHZDCISA-N	1	1	415.567	1.863	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1	ZINC000466077133	1075702332	/nfs/dbraw/zinc/70/23/32/1075702332.db2.gz	KZPONHDRWJLBHI-KBXCAEBGSA-N	1	1	404.540	2.237	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H]1C(C)(C)O	ZINC000509437298	1075705525	/nfs/dbraw/zinc/70/55/25/1075705525.db2.gz	JQRXSGGHBYEKNT-PKOBYXMFSA-N	1	1	402.539	1.075	20	0		HDADMO
COc1cc2[nH+]c(N3CCC[C@H](CNS(=O)(=O)C4CC4)C3)nc(N)c2cc1OC	ZINC000584015433	1075705675	/nfs/dbraw/zinc/70/56/75/1075705675.db2.gz	HAAAOBGXUZJOCR-GFCCVEGCSA-N	1	1	421.523	1.527	20	0		HDADMO
COc1cccc(-c2noc(SCC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)n2)c1	ZINC000543586468	1075706755	/nfs/dbraw/zinc/70/67/55/1075706755.db2.gz	CRXSNXUTKWRYPK-HNNXBMFYSA-N	1	1	419.551	1.837	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000548933129	1075709360	/nfs/dbraw/zinc/70/93/60/1075709360.db2.gz	OQVVMRODLHXJFN-SJORKVTESA-N	1	1	410.522	1.681	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CCc2ccncc2)n1	ZINC000438274603	1075714050	/nfs/dbraw/zinc/71/40/50/1075714050.db2.gz	SYDDEQZTMRIEKS-SFHVURJKSA-N	1	1	413.526	1.585	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C[N@H+]1C1CC1	ZINC000491592587	1075714486	/nfs/dbraw/zinc/71/44/86/1075714486.db2.gz	XALSWZJEMDUUMF-VXGBXAGGSA-N	1	1	422.411	1.966	20	0		HDADMO
C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C[C@@H](C)C1	ZINC000560151788	1075716612	/nfs/dbraw/zinc/71/66/12/1075716612.db2.gz	NJRYWXAHIUGJBW-SCTDSRPQSA-N	1	1	410.522	1.648	20	0		HDADMO
COC(=O)c1cc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)c(C)o1	ZINC000543685747	1075717682	/nfs/dbraw/zinc/71/76/82/1075717682.db2.gz	NKKTXFPDGUNSCK-UHFFFAOYSA-N	1	1	413.540	1.413	20	0		HDADMO
CCOC1CC(CCNC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000509442792	1075735510	/nfs/dbraw/zinc/73/55/10/1075735510.db2.gz	UEZZBBRBZAKVID-LWEYNCJUSA-N	1	1	416.566	1.635	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCOCC1CC1	ZINC000509442716	1075736863	/nfs/dbraw/zinc/73/68/63/1075736863.db2.gz	SPDCTTCNWNUQSZ-GOSISDBHSA-N	1	1	402.539	1.198	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1O	ZINC000509442449	1075736873	/nfs/dbraw/zinc/73/68/73/1075736873.db2.gz	PSCRUUPVHPIAQO-MISYRCLQSA-N	1	1	402.539	1.075	20	0		HDADMO
O=C1CCCN1C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000732413212	1075738646	/nfs/dbraw/zinc/73/86/46/1075738646.db2.gz	QVHKMYNAHVUMAW-MSOLQXFVSA-N	1	1	400.479	1.341	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c(OC)c1	ZINC000732413437	1075739074	/nfs/dbraw/zinc/73/90/74/1075739074.db2.gz	UWCOHUAESBNDDI-QZTJIDSGSA-N	1	1	420.506	1.698	20	0		HDADMO
CN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732450807	1075741702	/nfs/dbraw/zinc/74/17/02/1075741702.db2.gz	ZNDXSMLXXWILLL-GOSISDBHSA-N	1	1	409.575	1.807	20	0		HDADMO
CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1	ZINC000732485521	1075748209	/nfs/dbraw/zinc/74/82/09/1075748209.db2.gz	WWVSYYSQFGQQGF-CQSZACIVSA-N	1	1	421.929	1.015	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1	ZINC000732464086	1075751962	/nfs/dbraw/zinc/75/19/62/1075751962.db2.gz	WUDFWXQTHOVMIG-INIZCTEOSA-N	1	1	417.337	1.879	20	0		HDADMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1	ZINC000567275131	1075754051	/nfs/dbraw/zinc/75/40/51/1075754051.db2.gz	XCLHSANLFABEHI-QGZVFWFLSA-N	1	1	406.490	1.902	20	0		HDADMO
CS(=O)(=O)NCCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000509445123	1075756578	/nfs/dbraw/zinc/75/65/78/1075756578.db2.gz	AHFBXYNULQNRIS-MRXNPFEDSA-N	1	1	407.458	1.497	20	0		HDADMO
C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1	ZINC000470606548	1075764310	/nfs/dbraw/zinc/76/43/10/1075764310.db2.gz	NWDTZTZKLPYKMB-QGZVFWFLSA-N	1	1	404.511	1.608	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC2)n1	ZINC000570706392	1075769874	/nfs/dbraw/zinc/76/98/74/1075769874.db2.gz	WBDWUXMMZDSEET-HNNXBMFYSA-N	1	1	422.505	1.926	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)C1CC1	ZINC000804223771	1075775829	/nfs/dbraw/zinc/77/58/29/1075775829.db2.gz	HJEVFXVYTXJAQE-WBVHZDCISA-N	1	1	410.559	1.881	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000804225049	1075776823	/nfs/dbraw/zinc/77/68/23/1075776823.db2.gz	SEVSBGZKEIIJAH-UHFFFAOYSA-N	1	1	410.559	1.692	20	0		HDADMO
CC(C)(C)c1nnc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)s1	ZINC000464121800	1075778076	/nfs/dbraw/zinc/77/80/76/1075778076.db2.gz	KXGLHKTZPQLXET-AWEZNQCLSA-N	1	1	403.508	1.979	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)CC1	ZINC000142672965	1075785403	/nfs/dbraw/zinc/78/54/03/1075785403.db2.gz	WUDRMANSWVUTTL-UHFFFAOYSA-N	1	1	401.555	1.759	20	0		HDADMO
COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1	ZINC000016340088	1075785918	/nfs/dbraw/zinc/78/59/18/1075785918.db2.gz	DRQHTSSARIPOIK-MRXNPFEDSA-N	1	1	419.522	1.452	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558581	1075786086	/nfs/dbraw/zinc/78/60/86/1075786086.db2.gz	BSUKLYAVZOQAFN-RLKVQFJASA-N	1	1	409.538	1.607	20	0		HDADMO
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558581	1075786091	/nfs/dbraw/zinc/78/60/91/1075786091.db2.gz	BSUKLYAVZOQAFN-RLKVQFJASA-N	1	1	409.538	1.607	20	0		HDADMO
CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732561548	1075788370	/nfs/dbraw/zinc/78/83/70/1075788370.db2.gz	ACMAHFCZHVYYIP-NRFANRHFSA-N	1	1	413.566	1.561	20	0		HDADMO
CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732561548	1075788373	/nfs/dbraw/zinc/78/83/73/1075788373.db2.gz	ACMAHFCZHVYYIP-NRFANRHFSA-N	1	1	413.566	1.561	20	0		HDADMO
CCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1	ZINC000804237858	1075793812	/nfs/dbraw/zinc/79/38/12/1075793812.db2.gz	XMPKMEOACQNIOQ-KURKYZTESA-N	1	1	408.543	1.446	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(S(C)(=O)=O)cn2)[C@H](c2cnn(C)c2)C1	ZINC001129302045	1075795809	/nfs/dbraw/zinc/79/58/09/1075795809.db2.gz	RHBWXNQREPJKKZ-SJORKVTESA-N	1	1	405.524	1.671	20	0		HDADMO
CC(C)(c1nnc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)s1)c1ccccc1	ZINC000438012814	1075800812	/nfs/dbraw/zinc/80/08/12/1075800812.db2.gz	QNYUQIHDKWBQCN-FQEVSTJZSA-N	1	1	419.551	2.069	20	0		HDADMO
CCc1cccc(NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1CC	ZINC000487892757	1075805240	/nfs/dbraw/zinc/80/52/40/1075805240.db2.gz	GIUJYFIEMJSILS-UHFFFAOYSA-N	1	1	414.550	1.763	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[N@H+]1Cc1ccccc1	ZINC000429257063	1075815050	/nfs/dbraw/zinc/81/50/50/1075815050.db2.gz	NBCQDZYWVIXRLA-HOCLYGCPSA-N	1	1	422.489	2.161	20	0		HDADMO
COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)CCC2	ZINC000611037670	1075818807	/nfs/dbraw/zinc/81/88/07/1075818807.db2.gz	BZNHNPFAFIDPSW-ZDUSSCGKSA-N	1	1	403.508	1.966	20	0		HDADMO
COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H](Cn3ccnn3)C1)CCC2	ZINC000611037670	1075818808	/nfs/dbraw/zinc/81/88/08/1075818808.db2.gz	BZNHNPFAFIDPSW-ZDUSSCGKSA-N	1	1	403.508	1.966	20	0		HDADMO
COC(=O)c1cccc([C@H](C(=O)OC)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1	ZINC000611089213	1075827973	/nfs/dbraw/zinc/82/79/73/1075827973.db2.gz	LDNWSCWWSBZNIW-VQTJNVASSA-N	1	1	403.523	1.789	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000732673567	1075828292	/nfs/dbraw/zinc/82/82/92/1075828292.db2.gz	NTJWMYCRSNUVEF-KGLIPLIRSA-N	1	1	412.478	1.474	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732676655	1075830614	/nfs/dbraw/zinc/83/06/14/1075830614.db2.gz	VKYLFQXOOVCQEF-LBPRGKRZSA-N	1	1	402.483	1.578	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000732703053	1075836911	/nfs/dbraw/zinc/83/69/11/1075836911.db2.gz	LECBRTUCLCXEMA-AWEZNQCLSA-N	1	1	412.478	1.332	20	0		HDADMO
COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CSC)C2)cc1S(=O)(=O)N(C)C	ZINC000429292863	1075839338	/nfs/dbraw/zinc/83/93/38/1075839338.db2.gz	KBGYNFKZIMOPDX-CQSZACIVSA-N	1	1	415.581	1.959	20	0		HDADMO
COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CSC)C2)cc1S(=O)(=O)N(C)C	ZINC000429292863	1075839345	/nfs/dbraw/zinc/83/93/45/1075839345.db2.gz	KBGYNFKZIMOPDX-CQSZACIVSA-N	1	1	415.581	1.959	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CC[N@@H+](CC)[C@H](C)C1	ZINC000611091871	1075840081	/nfs/dbraw/zinc/84/00/81/1075840081.db2.gz	BFTVCYPINSOVMT-CYBMUJFWSA-N	1	1	424.567	1.900	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)C1	ZINC000518053022	1075841987	/nfs/dbraw/zinc/84/19/87/1075841987.db2.gz	LINWSHYDLXNLHT-AWEZNQCLSA-N	1	1	420.514	1.977	20	0		HDADMO
COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000611110084	1075846058	/nfs/dbraw/zinc/84/60/58/1075846058.db2.gz	RCBLVWKICOCDBW-ROUUACIJSA-N	1	1	403.589	1.538	20	0		HDADMO
COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1	ZINC000611110084	1075846062	/nfs/dbraw/zinc/84/60/62/1075846062.db2.gz	RCBLVWKICOCDBW-ROUUACIJSA-N	1	1	403.589	1.538	20	0		HDADMO
O=C(c1cncc(I)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000611135084	1075849741	/nfs/dbraw/zinc/84/97/41/1075849741.db2.gz	KAELDTGEGDEZFM-UONOGXRCSA-N	1	1	401.248	1.357	20	0		HDADMO
O=C(c1cncc(I)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000611135085	1075849800	/nfs/dbraw/zinc/84/98/00/1075849800.db2.gz	KAELDTGEGDEZFM-ZIAGYGMSSA-N	1	1	401.248	1.357	20	0		HDADMO
CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1	ZINC000732753534	1075856301	/nfs/dbraw/zinc/85/63/01/1075856301.db2.gz	RXQZYTBKWNBFOF-UHFFFAOYSA-N	1	1	413.478	1.463	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000732777860	1075857206	/nfs/dbraw/zinc/85/72/06/1075857206.db2.gz	ZWBHSONSYDSSDM-UHFFFAOYSA-N	1	1	417.984	1.903	20	0		HDADMO
CN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732788947	1075857898	/nfs/dbraw/zinc/85/78/98/1075857898.db2.gz	VFIKWLULPKOJTJ-SJORKVTESA-N	1	1	412.456	1.597	20	0		HDADMO
COC(=O)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)Oc1ccc(F)cc1	ZINC000611160863	1075861686	/nfs/dbraw/zinc/86/16/86/1075861686.db2.gz	WTXYAFNGUOEYGD-RTBURBONSA-N	1	1	401.438	1.922	20	0		HDADMO
COC(=O)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)Oc1ccc(F)cc1	ZINC000611160863	1075861688	/nfs/dbraw/zinc/86/16/88/1075861688.db2.gz	WTXYAFNGUOEYGD-RTBURBONSA-N	1	1	401.438	1.922	20	0		HDADMO
COCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1	ZINC000732807405	1075862935	/nfs/dbraw/zinc/86/29/35/1075862935.db2.gz	MFDFDSYMWNHHKX-IBGZPJMESA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1	ZINC000732807405	1075862940	/nfs/dbraw/zinc/86/29/40/1075862940.db2.gz	MFDFDSYMWNHHKX-IBGZPJMESA-N	1	1	403.523	1.805	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)NCc1ccc(N2CCCC2=O)cc1	ZINC000732807463	1075863296	/nfs/dbraw/zinc/86/32/96/1075863296.db2.gz	OKTIYVLCOMVSKP-HXUWFJFHSA-N	1	1	412.534	1.907	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)NCc1ccc(N2CCCC2=O)cc1	ZINC000732807463	1075863302	/nfs/dbraw/zinc/86/33/02/1075863302.db2.gz	OKTIYVLCOMVSKP-HXUWFJFHSA-N	1	1	412.534	1.907	20	0		HDADMO
COC(=O)[C@]1(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CCSC1	ZINC000611160427	1075863965	/nfs/dbraw/zinc/86/39/65/1075863965.db2.gz	ADBHRSXKVZIMMT-FQEVSTJZSA-N	1	1	415.519	1.342	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)C2)CC1	ZINC000732781381	1075864697	/nfs/dbraw/zinc/86/46/97/1075864697.db2.gz	QJJWWKOELZQYBZ-ZFWWWQNUSA-N	1	1	406.449	1.434	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)C2)CC1	ZINC000732781381	1075864699	/nfs/dbraw/zinc/86/46/99/1075864699.db2.gz	QJJWWKOELZQYBZ-ZFWWWQNUSA-N	1	1	406.449	1.434	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(CC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)CC2)CC1	ZINC000611181124	1075867967	/nfs/dbraw/zinc/86/79/67/1075867967.db2.gz	LCCXKBUFZHFJOJ-QUCCMNQESA-N	1	1	407.603	1.881	20	0		HDADMO
Cc1cc(C)n2nc(NC(=O)N[C@@H](C)C[NH+]3CCN(c4ccccc4)CC3)nc2n1	ZINC000440591293	1075870865	/nfs/dbraw/zinc/87/08/65/1075870865.db2.gz	PMWRYGXJUFPKKJ-INIZCTEOSA-N	1	1	408.510	2.073	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)CC1	ZINC000732835058	1075874905	/nfs/dbraw/zinc/87/49/05/1075874905.db2.gz	VEEQTGKALPHAKR-SKTWIKFTSA-N	1	1	420.579	1.252	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)CC1	ZINC000732835058	1075874906	/nfs/dbraw/zinc/87/49/06/1075874906.db2.gz	VEEQTGKALPHAKR-SKTWIKFTSA-N	1	1	420.579	1.252	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000611244141	1075885001	/nfs/dbraw/zinc/88/50/01/1075885001.db2.gz	DOZYENSFMMWIGD-AZUAARDMSA-N	1	1	419.522	1.017	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000611244141	1075885006	/nfs/dbraw/zinc/88/50/06/1075885006.db2.gz	DOZYENSFMMWIGD-AZUAARDMSA-N	1	1	419.522	1.017	20	0		HDADMO
COc1c(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(C)nn1C	ZINC000732851317	1075885698	/nfs/dbraw/zinc/88/56/98/1075885698.db2.gz	PWZIEPLPTCQBOY-UHFFFAOYSA-N	1	1	408.499	1.045	20	0		HDADMO
COc1c(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)nn1C	ZINC000732853589	1075886423	/nfs/dbraw/zinc/88/64/23/1075886423.db2.gz	YPNUDWFIBDNJLY-UHFFFAOYSA-N	1	1	414.506	1.937	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[NH+]1CCOCC1	ZINC000732885975	1075892410	/nfs/dbraw/zinc/89/24/10/1075892410.db2.gz	SBRANPUZTIRMTK-HOTGVXAUSA-N	1	1	422.492	1.928	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611322105	1075900580	/nfs/dbraw/zinc/90/05/80/1075900580.db2.gz	LHLCKUIAXIRPMQ-AWEZNQCLSA-N	1	1	411.524	1.574	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611323699	1075901160	/nfs/dbraw/zinc/90/11/60/1075901160.db2.gz	UCVXQZZOWBCMJE-KGLIPLIRSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611323699	1075901163	/nfs/dbraw/zinc/90/11/63/1075901163.db2.gz	UCVXQZZOWBCMJE-KGLIPLIRSA-N	1	1	411.524	1.572	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000611334119	1075910115	/nfs/dbraw/zinc/91/01/15/1075910115.db2.gz	WGDIVDHWNBERAO-ROUUACIJSA-N	1	1	423.554	1.138	20	0		HDADMO
CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000611382507	1075922740	/nfs/dbraw/zinc/92/27/40/1075922740.db2.gz	GWPFIRJIEXJVSH-ZWKOTPCHSA-N	1	1	417.506	1.638	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)[C@H](C)C1	ZINC000611401454	1075925475	/nfs/dbraw/zinc/92/54/75/1075925475.db2.gz	DTDYUUJZBQAKAL-CYBMUJFWSA-N	1	1	401.511	1.532	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)[C@H](C)C1	ZINC000611401454	1075925476	/nfs/dbraw/zinc/92/54/76/1075925476.db2.gz	DTDYUUJZBQAKAL-CYBMUJFWSA-N	1	1	401.511	1.532	20	0		HDADMO
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CCO)CCc2ccccc2)C1=O	ZINC000732983805	1075937107	/nfs/dbraw/zinc/93/71/07/1075937107.db2.gz	IENKJEUWNLKDKD-QHCPKHFHSA-N	1	1	424.501	1.412	20	0		HDADMO
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CCO)CCc2ccccc2)C1=O	ZINC000732983805	1075937110	/nfs/dbraw/zinc/93/71/10/1075937110.db2.gz	IENKJEUWNLKDKD-QHCPKHFHSA-N	1	1	424.501	1.412	20	0		HDADMO
C[C@@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCCC[C@@H]1C	ZINC000732991081	1075941678	/nfs/dbraw/zinc/94/16/78/1075941678.db2.gz	BSBCRTKGNSWRQV-KBPBESRZSA-N	1	1	410.531	1.813	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)C[C@H]1C	ZINC000611484498	1075946618	/nfs/dbraw/zinc/94/66/18/1075946618.db2.gz	NRELRRHHPVRBSS-UTKZUKDTSA-N	1	1	403.523	1.466	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)C[C@H]1C	ZINC000611484498	1075946620	/nfs/dbraw/zinc/94/66/20/1075946620.db2.gz	NRELRRHHPVRBSS-UTKZUKDTSA-N	1	1	403.523	1.466	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733046342	1075952851	/nfs/dbraw/zinc/95/28/51/1075952851.db2.gz	PEDFUULSNCXSNP-HOCLYGCPSA-N	1	1	414.506	1.824	20	0		HDADMO
CCOC(=O)[C@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)c1ccccc1	ZINC000611546091	1075960282	/nfs/dbraw/zinc/96/02/82/1075960282.db2.gz	VNKVFQFIPGEQAK-QGZVFWFLSA-N	1	1	407.430	1.669	20	0		HDADMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733037998	1075961451	/nfs/dbraw/zinc/96/14/51/1075961451.db2.gz	AWBHODJXPYBUCR-GFCCVEGCSA-N	1	1	407.487	1.391	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O	ZINC000733045856	1075964430	/nfs/dbraw/zinc/96/44/30/1075964430.db2.gz	CANYZHINAOBUOA-CQSZACIVSA-N	1	1	400.479	1.435	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N(Cc1ccccc1)[C@@H]1C[N@H+](CC2CC2)C[C@H]1O	ZINC001079140502	1075965186	/nfs/dbraw/zinc/96/51/86/1075965186.db2.gz	LRTNBOBNNDVAEZ-VNXMGFANSA-N	1	1	400.519	1.522	20	0		HDADMO
CCCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001079140483	1075965268	/nfs/dbraw/zinc/96/52/68/1075965268.db2.gz	KUTJUKLTDKRBLR-VNXMGFANSA-N	1	1	402.535	1.912	20	0		HDADMO
O=C(NCCCCC[NH+]1CCN(C(=O)c2cnco2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001079162842	1075965899	/nfs/dbraw/zinc/96/58/99/1075965899.db2.gz	FHNQMAGVLARWPF-BCDMZGRMSA-N	1	1	402.495	1.142	20	0		HDADMO
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC2(CC[NH+](Cc3cnns3)CC2)[C@H]2COC[C@H]21	ZINC001079263486	1075968421	/nfs/dbraw/zinc/96/84/21/1075968421.db2.gz	XASKQYXCIGGFSP-LHKMKVQPSA-N	1	1	404.536	1.545	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1=O	ZINC000733140730	1075973751	/nfs/dbraw/zinc/97/37/51/1075973751.db2.gz	VFMVNAVUFNJZGE-OALUTQOASA-N	1	1	421.563	1.050	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1COCCN1CC(F)(F)F	ZINC000506509422	1075976276	/nfs/dbraw/zinc/97/62/76/1075976276.db2.gz	DPMLNKGVTPMRKG-MJGOQNOKSA-N	1	1	415.456	1.345	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NC[C@@H](C)[NH+]3CCN(c4ccccc4)CC3)c2C)no1	ZINC000506466589	1075976311	/nfs/dbraw/zinc/97/63/11/1075976311.db2.gz	MLQHIRCVFIMTIY-MRXNPFEDSA-N	1	1	423.521	1.872	20	0		HDADMO
CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001079860882	1075978404	/nfs/dbraw/zinc/97/84/04/1075978404.db2.gz	CGNBNYCKGITQMK-QAGJBOCLSA-N	1	1	400.523	1.879	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)CC1=O	ZINC000733129604	1075979498	/nfs/dbraw/zinc/97/94/98/1075979498.db2.gz	GXJGBNHIYKENFO-DZGCQCFKSA-N	1	1	413.478	1.621	20	0		HDADMO
Cn1c2[nH]c(C[NH+]3CCC4(CC3)OCCc3ccsc34)nc2c(=O)n(C)c1=O	ZINC000492353047	1075982685	/nfs/dbraw/zinc/98/26/85/1075982685.db2.gz	QNNRKLUHROZFKO-UHFFFAOYSA-N	1	1	401.492	1.086	20	0		HDADMO
COc1ccc(OCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001080182015	1075985627	/nfs/dbraw/zinc/98/56/27/1075985627.db2.gz	SVXHTCLCMODMEF-QFIDOLFYSA-N	1	1	404.507	1.562	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)no1	ZINC000511227406	1075993218	/nfs/dbraw/zinc/99/32/18/1075993218.db2.gz	BWBZLXLQNGJDLI-RHSMWYFYSA-N	1	1	404.515	1.415	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)CC[N@H+]1C	ZINC001080878625	1075994259	/nfs/dbraw/zinc/99/42/59/1075994259.db2.gz	AYMCUXXXWCAGNI-LCWAXJCOSA-N	1	1	403.567	1.789	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C	ZINC000733164600	1075997332	/nfs/dbraw/zinc/99/73/32/1075997332.db2.gz	YOLPWJLYNBQEFF-INIZCTEOSA-N	1	1	400.589	1.781	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C	ZINC000733164600	1075997335	/nfs/dbraw/zinc/99/73/35/1075997335.db2.gz	YOLPWJLYNBQEFF-INIZCTEOSA-N	1	1	400.589	1.781	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000733164431	1075997834	/nfs/dbraw/zinc/99/78/34/1075997834.db2.gz	SLEPJEKZWNDZQI-UHFFFAOYSA-N	1	1	416.570	1.295	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000733164431	1075997836	/nfs/dbraw/zinc/99/78/36/1075997836.db2.gz	SLEPJEKZWNDZQI-UHFFFAOYSA-N	1	1	416.570	1.295	20	0		HDADMO
CC[N@@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(C)C	ZINC000733171788	1076000861	/nfs/dbraw/zinc/00/08/61/1076000861.db2.gz	ZARVXKBWSTWAKV-UHFFFAOYSA-N	1	1	401.504	1.307	20	0		HDADMO
CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2ccccc2)n1	ZINC001081148635	1076002766	/nfs/dbraw/zinc/00/27/66/1076002766.db2.gz	UGJQUTLDHFRQRF-CSGHFTSRSA-N	1	1	407.518	1.806	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)C2)no1	ZINC000514018780	1076015752	/nfs/dbraw/zinc/01/57/52/1076015752.db2.gz	XBKYVERKZOOUGC-OIISXLGYSA-N	1	1	406.531	1.493	20	0		HDADMO
CO[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081975039	1076018554	/nfs/dbraw/zinc/01/85/54/1076018554.db2.gz	MQSXWHOAOYKAJC-FSAOVCISSA-N	1	1	404.507	1.241	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081975039	1076018561	/nfs/dbraw/zinc/01/85/61/1076018561.db2.gz	MQSXWHOAOYKAJC-FSAOVCISSA-N	1	1	404.507	1.241	20	0		HDADMO
CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1	ZINC000733253222	1076024023	/nfs/dbraw/zinc/02/40/23/1076024023.db2.gz	WZGKVTDQXUKIID-GOSISDBHSA-N	1	1	404.536	1.453	20	0		HDADMO
CCn1nc(C)c(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C	ZINC000727011837	1076025725	/nfs/dbraw/zinc/02/57/25/1076025725.db2.gz	DADLGQYIOXJYPH-UHFFFAOYSA-N	1	1	406.527	1.828	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC000733274324	1076027315	/nfs/dbraw/zinc/02/73/15/1076027315.db2.gz	XVUBOYHOEYZXKI-HTAPYJJXSA-N	1	1	416.522	1.843	20	0		HDADMO
CNS(=O)(=O)[C@H]1CCC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1	ZINC000733301897	1076033671	/nfs/dbraw/zinc/03/36/71/1076033671.db2.gz	XNORPYKLQFBWMO-LBPRGKRZSA-N	1	1	414.325	1.735	20	0		HDADMO
COc1ccc(COC[C@H](O)C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1OC	ZINC000032491220	1076035188	/nfs/dbraw/zinc/03/51/88/1076035188.db2.gz	VXKXMJDGIOHLHU-GOSISDBHSA-N	1	1	405.495	1.696	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000733309690	1076035273	/nfs/dbraw/zinc/03/52/73/1076035273.db2.gz	LBRHPNXFDJWCFE-UHFFFAOYSA-N	1	1	416.522	1.524	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733353009	1076050126	/nfs/dbraw/zinc/05/01/26/1076050126.db2.gz	IWCOQPNHIPYNPB-HNNXBMFYSA-N	1	1	410.531	1.815	20	0		HDADMO
CO[C@H](CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(F)(F)F	ZINC000733357219	1076051171	/nfs/dbraw/zinc/05/11/71/1076051171.db2.gz	QYLICFGWZZISMB-HZPDHXFCSA-N	1	1	416.444	1.760	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](O)COc2cccc(F)c2)CC1=O	ZINC000733358860	1076051647	/nfs/dbraw/zinc/05/16/47/1076051647.db2.gz	NWPNWFPKNJYPOK-KBAYOESNSA-N	1	1	407.486	1.014	20	0		HDADMO
Cn1cnc2c1c(=O)n(CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c(=O)n2C	ZINC000053135158	1076054617	/nfs/dbraw/zinc/05/46/17/1076054617.db2.gz	YIKNIPBGOODVFZ-HNNXBMFYSA-N	1	1	417.535	1.567	20	0		HDADMO
CCn1c(N)c(C(=O)C[NH+]2CCC(CCc3ccc(OC)cc3)CC2)c(=O)[nH]c1=O	ZINC000053847474	1076059819	/nfs/dbraw/zinc/05/98/19/1076059819.db2.gz	JWNFOGOVWJWQPW-UHFFFAOYSA-N	1	1	414.506	1.675	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1[NH2+]Cc1nnnn1CC(F)(F)F	ZINC001082659016	1076062572	/nfs/dbraw/zinc/06/25/72/1076062572.db2.gz	OCMJXHQEVWWEJE-GZBLMMOJSA-N	1	1	400.449	1.998	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1	ZINC000727175802	1076069903	/nfs/dbraw/zinc/06/99/03/1076069903.db2.gz	ZYYLQOOZUGJWRZ-AWEZNQCLSA-N	1	1	416.975	1.982	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl	ZINC000727175209	1076070194	/nfs/dbraw/zinc/07/01/94/1076070194.db2.gz	PLIBCFGTJUYZJY-CYBMUJFWSA-N	1	1	405.948	1.725	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000727226031	1076084297	/nfs/dbraw/zinc/08/42/97/1076084297.db2.gz	XTOBZTRFRCWQFQ-GOSISDBHSA-N	1	1	412.494	1.356	20	0		HDADMO
CC(=O)Nc1ccc2c(C[N@@H+]3CCCC[C@@H]3C(=O)N3CCOCC3)cc(=O)oc2c1	ZINC000727440591	1076122251	/nfs/dbraw/zinc/12/22/51/1076122251.db2.gz	TXQMVXRNCGBSDI-LJQANCHMSA-N	1	1	413.474	1.965	20	0		HDADMO
CC(=O)Nc1ccc2c(C[N@H+]3CCCC[C@@H]3C(=O)N3CCOCC3)cc(=O)oc2c1	ZINC000727440591	1076122255	/nfs/dbraw/zinc/12/22/55/1076122255.db2.gz	TXQMVXRNCGBSDI-LJQANCHMSA-N	1	1	413.474	1.965	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC(=O)N(C)CCc1ccccn1	ZINC000727476280	1076129294	/nfs/dbraw/zinc/12/92/94/1076129294.db2.gz	SZCLEFLAZFNDIM-UHFFFAOYSA-N	1	1	407.478	1.471	20	0		HDADMO
CCOC(=O)C1C(CN2CC[C@H](C[NH+](C)C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000733614643	1076130333	/nfs/dbraw/zinc/13/03/33/1076130333.db2.gz	SZFVUQMQRBSPCN-FOIQADDNSA-N	1	1	416.522	1.750	20	0		HDADMO
CCOC(=O)C1C(CN2CC[C@@H](C[NH+](C)C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000733614645	1076130392	/nfs/dbraw/zinc/13/03/92/1076130392.db2.gz	SZFVUQMQRBSPCN-MGPUTAFESA-N	1	1	416.522	1.750	20	0		HDADMO
C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@H](O)CN4CCCC4)CC3)cc2NC1=O	ZINC000727463287	1076135804	/nfs/dbraw/zinc/13/58/04/1076135804.db2.gz	HTDOPURFEBSKBT-MAUKXSAKSA-N	1	1	401.507	1.757	20	0		HDADMO
C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C	ZINC000733642811	1076137456	/nfs/dbraw/zinc/13/74/56/1076137456.db2.gz	APJGHLIJKFGQSW-HOTGVXAUSA-N	1	1	411.547	1.190	20	0		HDADMO
CC[NH+]1CCN(C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1	ZINC000727493717	1076137553	/nfs/dbraw/zinc/13/75/53/1076137553.db2.gz	QNDAFQKDRUFQID-SFHVURJKSA-N	1	1	418.538	1.403	20	0		HDADMO
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCC[NH+]3CCN(C)CC3)cc2)nc1	ZINC000733662467	1076165628	/nfs/dbraw/zinc/16/56/28/1076165628.db2.gz	GHXHRBSLBBEOIN-UHFFFAOYSA-N	1	1	411.506	1.875	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1F	ZINC000727613794	1076183745	/nfs/dbraw/zinc/18/37/45/1076183745.db2.gz	POPWHPOGDVGXTP-OAHLLOKOSA-N	1	1	422.457	1.656	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1	ZINC000733778792	1076204068	/nfs/dbraw/zinc/20/40/68/1076204068.db2.gz	HIUGXRRTSYGQLL-IAGOWNOFSA-N	1	1	419.547	1.944	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)C2=O)c1	ZINC000733794663	1076214992	/nfs/dbraw/zinc/21/49/92/1076214992.db2.gz	FTDDWBUFNVBIOW-NRFANRHFSA-N	1	1	420.510	1.224	20	0		HDADMO
COc1ccc(OC)c([C@@H](O)CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1	ZINC000727766737	1076220622	/nfs/dbraw/zinc/22/06/22/1076220622.db2.gz	FRIPUTZVZDRNOC-RBBKRZOGSA-N	1	1	413.518	1.842	20	0		HDADMO
O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727766712	1076220678	/nfs/dbraw/zinc/22/06/78/1076220678.db2.gz	DWLFYKLBJLQMCY-APWZRJJASA-N	1	1	400.504	1.497	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1	ZINC000733854006	1076230308	/nfs/dbraw/zinc/23/03/08/1076230308.db2.gz	ONKOSZPURWNFIJ-IRXDYDNUSA-N	1	1	411.510	1.714	20	0		HDADMO
COc1ccc2c(C)c(CCC(=O)NCCC(=O)N3CC[NH+](C)CC3)c(=O)oc2c1	ZINC000733882451	1076238162	/nfs/dbraw/zinc/23/81/62/1076238162.db2.gz	NMQMUNMWMVCEOM-UHFFFAOYSA-N	1	1	415.490	1.323	20	0		HDADMO
CCc1ccc(N2C[C@@H](C(=O)NCC3CCN(CC[NH+](C)C)CC3)CC2=O)cc1	ZINC000733882141	1076238582	/nfs/dbraw/zinc/23/85/82/1076238582.db2.gz	BCSSBHGICREKAG-FQEVSTJZSA-N	1	1	400.567	1.992	20	0		HDADMO
CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1	ZINC000532420809	1076238590	/nfs/dbraw/zinc/23/85/90/1076238590.db2.gz	ZTINRMWPVSGYGU-UHFFFAOYSA-N	1	1	406.430	1.348	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)C2)no1	ZINC000532835156	1076240032	/nfs/dbraw/zinc/24/00/32/1076240032.db2.gz	JQKYEPCVYWAHEP-ZWKOTPCHSA-N	1	1	420.558	1.885	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)c2cccs2)CC1	ZINC000533008197	1076240856	/nfs/dbraw/zinc/24/08/56/1076240856.db2.gz	HQDQZJAWUWGZKV-INIZCTEOSA-N	1	1	418.567	1.743	20	0		HDADMO
CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCOC3)n2CCC[NH+]2CCOCC2)CC1	ZINC001299764162	1076242379	/nfs/dbraw/zinc/24/23/79/1076242379.db2.gz	OSRCYSIENSIBET-NQIIRXRSSA-N	1	1	407.559	1.900	20	0		HDADMO
CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)ccc21	ZINC000533830809	1076245439	/nfs/dbraw/zinc/24/54/39/1076245439.db2.gz	CTQHKFRXMHVVLN-HXUWFJFHSA-N	1	1	406.486	1.628	20	0		HDADMO
CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)ccc21	ZINC000533830809	1076245444	/nfs/dbraw/zinc/24/54/44/1076245444.db2.gz	CTQHKFRXMHVVLN-HXUWFJFHSA-N	1	1	406.486	1.628	20	0		HDADMO
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1	ZINC000533831446	1076245553	/nfs/dbraw/zinc/24/55/53/1076245553.db2.gz	GPNKXIXBGOHLBJ-HXUWFJFHSA-N	1	1	415.515	1.861	20	0		HDADMO
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1	ZINC000533831446	1076245555	/nfs/dbraw/zinc/24/55/55/1076245555.db2.gz	GPNKXIXBGOHLBJ-HXUWFJFHSA-N	1	1	415.515	1.861	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1	ZINC000533849255	1076246103	/nfs/dbraw/zinc/24/61/03/1076246103.db2.gz	NETRIULNRIGFRN-JOCHJYFZSA-N	1	1	421.545	1.817	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1	ZINC000533849255	1076246107	/nfs/dbraw/zinc/24/61/07/1076246107.db2.gz	NETRIULNRIGFRN-JOCHJYFZSA-N	1	1	421.545	1.817	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000533878741	1076246373	/nfs/dbraw/zinc/24/63/73/1076246373.db2.gz	QEIRZEHIYXAQJA-GOSISDBHSA-N	1	1	409.458	1.936	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000533878741	1076246378	/nfs/dbraw/zinc/24/63/78/1076246378.db2.gz	QEIRZEHIYXAQJA-GOSISDBHSA-N	1	1	409.458	1.936	20	0		HDADMO
Cc1cc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000533874388	1076246553	/nfs/dbraw/zinc/24/65/53/1076246553.db2.gz	CJCVVSIVQXPPRN-RDJZCZTQSA-N	1	1	403.508	1.859	20	0		HDADMO
Cc1cc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000533874388	1076246555	/nfs/dbraw/zinc/24/65/55/1076246555.db2.gz	CJCVVSIVQXPPRN-RDJZCZTQSA-N	1	1	403.508	1.859	20	0		HDADMO
CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3C[N@@H+](C)Cc4ccccc43)nc2)CC1	ZINC000534530656	1076247608	/nfs/dbraw/zinc/24/76/08/1076247608.db2.gz	MEMFCGMGYPFYRM-LJQANCHMSA-N	1	1	401.536	1.616	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000534545940	1076248436	/nfs/dbraw/zinc/24/84/36/1076248436.db2.gz	GQFDYIYGAJIMFW-LJQANCHMSA-N	1	1	408.506	1.208	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000534545940	1076248438	/nfs/dbraw/zinc/24/84/38/1076248438.db2.gz	GQFDYIYGAJIMFW-LJQANCHMSA-N	1	1	408.506	1.208	20	0		HDADMO
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000534560467	1076248796	/nfs/dbraw/zinc/24/87/96/1076248796.db2.gz	ZASFPOOKTZQZBP-NQIIRXRSSA-N	1	1	413.566	1.901	20	0		HDADMO
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000534560467	1076248803	/nfs/dbraw/zinc/24/88/03/1076248803.db2.gz	ZASFPOOKTZQZBP-NQIIRXRSSA-N	1	1	413.566	1.901	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1	ZINC000535274342	1076251070	/nfs/dbraw/zinc/25/10/70/1076251070.db2.gz	BXQUJGOJFQLVTI-RBUKOAKNSA-N	1	1	420.469	1.220	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1	ZINC000535274342	1076251072	/nfs/dbraw/zinc/25/10/72/1076251072.db2.gz	BXQUJGOJFQLVTI-RBUKOAKNSA-N	1	1	420.469	1.220	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1	ZINC000535274769	1076251513	/nfs/dbraw/zinc/25/15/13/1076251513.db2.gz	CUHSENVSYDUCNL-HXUWFJFHSA-N	1	1	415.515	1.624	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1	ZINC000535274769	1076251518	/nfs/dbraw/zinc/25/15/18/1076251518.db2.gz	CUHSENVSYDUCNL-HXUWFJFHSA-N	1	1	415.515	1.624	20	0		HDADMO
Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)cc(C3CC3)nc21	ZINC000535277977	1076251859	/nfs/dbraw/zinc/25/18/59/1076251859.db2.gz	UBTWSVYOHPNTET-KRWDZBQOSA-N	1	1	405.458	1.828	20	0		HDADMO
Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)cc(C3CC3)nc21	ZINC000535277977	1076251864	/nfs/dbraw/zinc/25/18/64/1076251864.db2.gz	UBTWSVYOHPNTET-KRWDZBQOSA-N	1	1	405.458	1.828	20	0		HDADMO
Cc1nn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)N1CCCCC1	ZINC000535881056	1076253244	/nfs/dbraw/zinc/25/32/44/1076253244.db2.gz	RZMHQYDSPWWEJU-RVKKMQEKSA-N	1	1	414.572	1.145	20	0		HDADMO
Cc1nn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1S(=O)(=O)N1CCCCC1	ZINC000535881056	1076253246	/nfs/dbraw/zinc/25/32/46/1076253246.db2.gz	RZMHQYDSPWWEJU-RVKKMQEKSA-N	1	1	414.572	1.145	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000144162010	1076253821	/nfs/dbraw/zinc/25/38/21/1076253821.db2.gz	GZITXFOZYFVQLD-QZTJIDSGSA-N	1	1	418.538	1.325	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1	ZINC000536033958	1076254190	/nfs/dbraw/zinc/25/41/90/1076254190.db2.gz	BDRDGUSCTLRFLL-IBGZPJMESA-N	1	1	401.488	1.298	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1	ZINC000536033958	1076254199	/nfs/dbraw/zinc/25/41/99/1076254199.db2.gz	BDRDGUSCTLRFLL-IBGZPJMESA-N	1	1	401.488	1.298	20	0		HDADMO
COCCOCC(=O)NC1CCC(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536036079	1076254644	/nfs/dbraw/zinc/25/46/44/1076254644.db2.gz	QKGIMLOJQFITDA-OUNSHVDWSA-N	1	1	403.523	1.627	20	0		HDADMO
COCCOCC(=O)NC1CCC(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536036079	1076254648	/nfs/dbraw/zinc/25/46/48/1076254648.db2.gz	QKGIMLOJQFITDA-OUNSHVDWSA-N	1	1	403.523	1.627	20	0		HDADMO
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[N@H+](C(C)C)CC2)C1=O	ZINC000727832225	1076264241	/nfs/dbraw/zinc/26/42/41/1076264241.db2.gz	POMHIRIXHJLDLC-OAQYLSRUSA-N	1	1	401.511	1.291	20	0		HDADMO
CN(CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C	ZINC000727862136	1076275459	/nfs/dbraw/zinc/27/54/59/1076275459.db2.gz	CQTNIYFGNQVSJP-UHFFFAOYSA-N	1	1	404.511	1.809	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)c2nc(NCc3ccco3)ncc2Cl)CC1	ZINC000733975383	1076280433	/nfs/dbraw/zinc/28/04/33/1076280433.db2.gz	UBEHNTYLAOUQAF-UHFFFAOYSA-N	1	1	406.874	1.229	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)CC1	ZINC000727875884	1076282498	/nfs/dbraw/zinc/28/24/98/1076282498.db2.gz	YKXIDAYIXFHQQD-UHFFFAOYSA-N	1	1	423.517	1.886	20	0		HDADMO
CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)CC(C)(C)O	ZINC000734002604	1076288592	/nfs/dbraw/zinc/28/85/92/1076288592.db2.gz	RBWPZILYOZDGHH-GDNBJRDFSA-N	1	1	409.552	1.224	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@](C)(O)c2ccc(F)cc2F)CC1=O	ZINC000734022499	1076292156	/nfs/dbraw/zinc/29/21/56/1076292156.db2.gz	JSKBSHXHEUZPKW-NVAPDCRFSA-N	1	1	409.477	1.621	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000727952434	1076296026	/nfs/dbraw/zinc/29/60/26/1076296026.db2.gz	MGDIIRVHTQJUMI-UHFFFAOYSA-N	1	1	403.451	1.564	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1	ZINC000727951986	1076296548	/nfs/dbraw/zinc/29/65/48/1076296548.db2.gz	KWNBJGCSPMBZQW-UHFFFAOYSA-N	1	1	421.929	1.157	20	0		HDADMO
COCC[NH+]1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)CC1	ZINC000022859474	1076303585	/nfs/dbraw/zinc/30/35/85/1076303585.db2.gz	UXONSVSEHZQFQV-JOCHJYFZSA-N	1	1	405.539	1.925	20	0		HDADMO
Cc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1I	ZINC000728064683	1076314824	/nfs/dbraw/zinc/31/48/24/1076314824.db2.gz	GUQVLMJPIACTHN-UHFFFAOYSA-N	1	1	401.248	1.279	20	0		HDADMO
Cc1ccc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1	ZINC001083151476	1076316942	/nfs/dbraw/zinc/31/69/42/1076316942.db2.gz	AVLKFHDSTUZNBH-RTOMLYRKSA-N	1	1	400.519	1.501	20	0		HDADMO
C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)CC2)C1	ZINC000728053701	1076320401	/nfs/dbraw/zinc/32/04/01/1076320401.db2.gz	PZUXLUNCFQEZOG-PKOBYXMFSA-N	1	1	407.555	1.568	20	0		HDADMO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1	ZINC000728053438	1076320798	/nfs/dbraw/zinc/32/07/98/1076320798.db2.gz	KGJPQYFPOWRLQF-DZGCQCFKSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3OCCO3)C2)c1	ZINC000728053438	1076320805	/nfs/dbraw/zinc/32/08/05/1076320805.db2.gz	KGJPQYFPOWRLQF-DZGCQCFKSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)cc(C(=O)OC)c1	ZINC000728053153	1076321356	/nfs/dbraw/zinc/32/13/56/1076321356.db2.gz	IURASCTXHHZQRH-KGLIPLIRSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)cc(C(=O)OC)c1	ZINC000728053153	1076321365	/nfs/dbraw/zinc/32/13/65/1076321365.db2.gz	IURASCTXHHZQRH-KGLIPLIRSA-N	1	1	420.462	1.672	20	0		HDADMO
COc1ccccc1C[NH+]1CCN(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000728055607	1076322446	/nfs/dbraw/zinc/32/24/46/1076322446.db2.gz	ARWXFKOVHGKJNB-HXUWFJFHSA-N	1	1	404.532	1.950	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000728073731	1076333534	/nfs/dbraw/zinc/33/35/34/1076333534.db2.gz	XSWKVLCMRUKJQF-SPMFNHFHSA-N	1	1	410.584	1.303	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(Br)cnc2Cl)C1	ZINC000728078231	1076334768	/nfs/dbraw/zinc/33/47/68/1076334768.db2.gz	VMWKPRSXVYRTGC-SNVBAGLBSA-N	1	1	403.708	1.815	20	0		HDADMO
CCOc1ccc(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1	ZINC000728078110	1076334974	/nfs/dbraw/zinc/33/49/74/1076334974.db2.gz	STKMZFALZWLBDV-DLBZAZTESA-N	1	1	416.522	1.142	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1	ZINC000728151990	1076348034	/nfs/dbraw/zinc/34/80/34/1076348034.db2.gz	KYGHWSOOBSPDST-SIXWZSSISA-N	1	1	400.504	1.668	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)CN3CCN(C(=O)c4ccco4)CC3)CC2)c1	ZINC000030148187	1076365957	/nfs/dbraw/zinc/36/59/57/1076365957.db2.gz	WCJUXGXJNQFNFZ-UHFFFAOYSA-N	1	1	410.518	1.690	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1	ZINC000729983344	1076406882	/nfs/dbraw/zinc/40/68/82/1076406882.db2.gz	OQFLBGHJWDVRDA-AWEZNQCLSA-N	1	1	419.931	1.363	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)C1	ZINC000730036390	1076414071	/nfs/dbraw/zinc/41/40/71/1076414071.db2.gz	ROFLBKGELURHEY-VQIMIIECSA-N	1	1	402.495	1.411	20	0		HDADMO
CNC(=O)C1(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CCC1	ZINC000730046681	1076420655	/nfs/dbraw/zinc/42/06/55/1076420655.db2.gz	XEOIXYZPSXMJKR-UHFFFAOYSA-N	1	1	401.507	1.489	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730116406	1076462770	/nfs/dbraw/zinc/46/27/70/1076462770.db2.gz	YEDGMODFFPMPNQ-KRWDZBQOSA-N	1	1	411.591	1.959	20	0		HDADMO
O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1	ZINC000730125438	1076465460	/nfs/dbraw/zinc/46/54/60/1076465460.db2.gz	HUFJXEYXFUSHGL-OALUTQOASA-N	1	1	401.511	1.845	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000730170957	1076472049	/nfs/dbraw/zinc/47/20/49/1076472049.db2.gz	OBFJOARKTQZGNF-HNNXBMFYSA-N	1	1	404.486	1.285	20	0		HDADMO
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000730219209	1076480540	/nfs/dbraw/zinc/48/05/40/1076480540.db2.gz	WKPHYIYBTPSJHC-HUUCEWRRSA-N	1	1	412.556	1.237	20	0		HDADMO
O=C(CSc1cccc[n+]1[O-])N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000730220189	1076481570	/nfs/dbraw/zinc/48/15/70/1076481570.db2.gz	PAMVVZQZYDSLOM-UHFFFAOYSA-N	1	1	402.520	1.558	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000730227299	1076485182	/nfs/dbraw/zinc/48/51/82/1076485182.db2.gz	AQAWYECSJVCHPS-CQSZACIVSA-N	1	1	417.579	1.960	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1	ZINC000730255499	1076500310	/nfs/dbraw/zinc/50/03/10/1076500310.db2.gz	YBANZKVYMNTUBX-HRAATJIYSA-N	1	1	402.495	1.483	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1	ZINC000730255499	1076500313	/nfs/dbraw/zinc/50/03/13/1076500313.db2.gz	YBANZKVYMNTUBX-HRAATJIYSA-N	1	1	402.495	1.483	20	0		HDADMO
CCC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000730317828	1076535283	/nfs/dbraw/zinc/53/52/83/1076535283.db2.gz	PREJJTYWWACCPC-BPQIPLTHSA-N	1	1	419.547	1.620	20	0		HDADMO
CC(C)[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)[NH+]1CCN(C)CC1	ZINC000730385054	1076565872	/nfs/dbraw/zinc/56/58/72/1076565872.db2.gz	MROMSYPWOWGUHU-GOSISDBHSA-N	1	1	416.501	1.338	20	0		HDADMO
CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@@H](C)O	ZINC000730419149	1076574621	/nfs/dbraw/zinc/57/46/21/1076574621.db2.gz	GFOOKIHSXLYURN-MOVXZBDNSA-N	1	1	409.552	1.223	20	0		HDADMO
CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@H](C)O	ZINC000730419152	1076575161	/nfs/dbraw/zinc/57/51/61/1076575161.db2.gz	GFOOKIHSXLYURN-WAFIBAPDSA-N	1	1	409.552	1.223	20	0		HDADMO
CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000730534567	1076593360	/nfs/dbraw/zinc/59/33/60/1076593360.db2.gz	LUEIBGCNKPJPMH-HNNXBMFYSA-N	1	1	411.553	1.253	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000730559945	1076594997	/nfs/dbraw/zinc/59/49/97/1076594997.db2.gz	OJTWOTVMFUITAV-OJLWIZQOSA-N	1	1	420.579	1.700	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccco2)C1	ZINC000730785636	1076656897	/nfs/dbraw/zinc/65/68/97/1076656897.db2.gz	CSOLKAOMJLWFCC-AWEZNQCLSA-N	1	1	417.462	2.000	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000730825195	1076662669	/nfs/dbraw/zinc/66/26/69/1076662669.db2.gz	MMIJJXAEHRUCQH-CVEARBPZSA-N	1	1	411.547	1.273	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000730825973	1076663397	/nfs/dbraw/zinc/66/33/97/1076663397.db2.gz	SYOAKRHAPLHGOW-ZBFHGGJFSA-N	1	1	416.444	1.625	20	0		HDADMO
CCOCC[N@@H+](CC)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000730808345	1076665217	/nfs/dbraw/zinc/66/52/17/1076665217.db2.gz	JCCBUVRNCJEPGY-LICLKQGHSA-N	1	1	409.552	1.490	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000730938374	1076697960	/nfs/dbraw/zinc/69/79/60/1076697960.db2.gz	YXGDUVAZECDLKK-UHFFFAOYSA-N	1	1	423.560	1.273	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000730938374	1076697970	/nfs/dbraw/zinc/69/79/70/1076697970.db2.gz	YXGDUVAZECDLKK-UHFFFAOYSA-N	1	1	423.560	1.273	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1	ZINC000730938321	1076698015	/nfs/dbraw/zinc/69/80/15/1076698015.db2.gz	XYKLIHBISXNPNS-UHFFFAOYSA-N	1	1	405.495	1.864	20	0		HDADMO
COC(=O)c1ccc(N2CC[N@@H+](CCc3ccc(S(N)(=O)=O)cc3)[C@H](C)C2)cc1	ZINC000730940175	1076699008	/nfs/dbraw/zinc/69/90/08/1076699008.db2.gz	ZYVNVJYPFAXVJA-MRXNPFEDSA-N	1	1	417.531	1.874	20	0		HDADMO
COC(=O)N[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)C	ZINC000730974637	1076702550	/nfs/dbraw/zinc/70/25/50/1076702550.db2.gz	OBWBEVKDUGXVFB-ROUUACIJSA-N	1	1	404.511	1.381	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1	ZINC000731007014	1076709251	/nfs/dbraw/zinc/70/92/51/1076709251.db2.gz	DXXDYDINOCKILO-OAHLLOKOSA-N	1	1	401.504	1.353	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(-n4ccnc4)nc3)c2)C1	ZINC000731008617	1076709578	/nfs/dbraw/zinc/70/95/78/1076709578.db2.gz	KRYASNDCTUOOHB-FQEVSTJZSA-N	1	1	418.501	1.895	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1	ZINC000731008127	1076710027	/nfs/dbraw/zinc/71/00/27/1076710027.db2.gz	YVZFBMXACMMWFO-HNNXBMFYSA-N	1	1	415.531	1.743	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1	ZINC000731024869	1076712912	/nfs/dbraw/zinc/71/29/12/1076712912.db2.gz	JNDAHKFKIHRWAD-GOEBONIOSA-N	1	1	421.519	1.082	20	0		HDADMO
COCCOC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000731134352	1076737146	/nfs/dbraw/zinc/73/71/46/1076737146.db2.gz	IOSQJASKEAUDGM-KRWDZBQOSA-N	1	1	404.467	1.421	20	0		HDADMO
NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000731190218	1076743978	/nfs/dbraw/zinc/74/39/78/1076743978.db2.gz	GSDGNTRQVRWQGC-KRWDZBQOSA-N	1	1	409.490	1.538	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)CC1	ZINC000731180479	1076745474	/nfs/dbraw/zinc/74/54/74/1076745474.db2.gz	AIGNZWSMHJMCBA-UHFFFAOYSA-N	1	1	400.523	1.682	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1	ZINC000731201721	1076752551	/nfs/dbraw/zinc/75/25/51/1076752551.db2.gz	SHOIENUSDDLZNO-MRXNPFEDSA-N	1	1	410.559	1.692	20	0		HDADMO
CCOC(=O)N[C@@H](C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)C(C)C	ZINC000731201951	1076752625	/nfs/dbraw/zinc/75/26/25/1076752625.db2.gz	YIKNIDABKFVLPB-LJQANCHMSA-N	1	1	410.559	1.550	20	0		HDADMO
O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000731224305	1076767727	/nfs/dbraw/zinc/76/77/27/1076767727.db2.gz	PPJVRSMIZUOKEQ-LBPRGKRZSA-N	1	1	406.533	1.512	20	0		HDADMO
C[C@@H](NC(=O)COC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)C(=O)N(C)C	ZINC000731256979	1076771545	/nfs/dbraw/zinc/77/15/45/1076771545.db2.gz	PGNITWITZFZIIK-IAGOWNOFSA-N	1	1	419.522	1.690	20	0		HDADMO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(CS(C)(=O)=O)n2)cc1OC	ZINC001560184997	1126209983	/nfs/dbraw/zinc/20/99/83/1126209983.db2.gz	QQYNSPYBNUONPN-GOSISDBHSA-N	1	1	414.549	1.788	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3ncnc4nc(SC)sc43)CC2)C1=O	ZINC001164640030	719277537	/nfs/dbraw/zinc/27/75/37/719277537.db2.gz	NAIBLUHJQFHFTM-UHFFFAOYSA-N	1	1	422.580	1.568	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4nc(SC)sc43)CC2)C1=O	ZINC001164640030	719277540	/nfs/dbraw/zinc/27/75/40/719277540.db2.gz	NAIBLUHJQFHFTM-UHFFFAOYSA-N	1	1	422.580	1.568	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3ncccc3-c3nc(C)no3)CC2)C1=O	ZINC001164644448	719280178	/nfs/dbraw/zinc/28/01/78/719280178.db2.gz	JTJPZCMYCUEHEX-UHFFFAOYSA-N	1	1	400.483	1.199	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3-c3nc(C)no3)CC2)C1=O	ZINC001164644448	719280179	/nfs/dbraw/zinc/28/01/79/719280179.db2.gz	JTJPZCMYCUEHEX-UHFFFAOYSA-N	1	1	400.483	1.199	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2	ZINC001164689847	719748161	/nfs/dbraw/zinc/74/81/61/719748161.db2.gz	LUKLYKNNXUQQKA-UHFFFAOYSA-N	1	1	400.527	1.330	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ncccc21	ZINC001164697965	719844393	/nfs/dbraw/zinc/84/43/93/719844393.db2.gz	CUZRFGIUAULVDZ-YJYMSZOUSA-N	1	1	405.886	1.911	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1[nH]c2cc(=O)[nH]c-2cc1Cl	ZINC001164700568	719856443	/nfs/dbraw/zinc/85/64/43/719856443.db2.gz	ICBXHGYIRIDKHA-HXPMCKFVSA-N	1	1	408.886	1.462	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(N)=O)cc2ccccc21	ZINC001164707850	719871227	/nfs/dbraw/zinc/87/12/27/719871227.db2.gz	WCIMZZPZJGGXOM-ZHRRBRCNSA-N	1	1	412.490	1.566	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc21	ZINC001164696639	719894452	/nfs/dbraw/zinc/89/44/52/719894452.db2.gz	GLMMYTOQKVDRAS-UHFFFAOYSA-N	1	1	414.535	1.798	20	0		HDADMO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCN(C)CC3)nn1)C2	ZINC001164807949	720075115	/nfs/dbraw/zinc/07/51/15/720075115.db2.gz	GPXUTTRLPBWPAM-DENIHFKCSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCN(C)CC3)nn1)C2	ZINC001164807949	720075122	/nfs/dbraw/zinc/07/51/22/720075122.db2.gz	GPXUTTRLPBWPAM-DENIHFKCSA-N	1	1	400.571	1.413	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2	ZINC001164809967	720118784	/nfs/dbraw/zinc/11/87/84/720118784.db2.gz	IZVCUJYXYIROSD-DNVCBOLYSA-N	1	1	410.540	1.073	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1S(N)(=O)=O)C2	ZINC001164813681	720187354	/nfs/dbraw/zinc/18/73/54/720187354.db2.gz	DLSUECKSGOAMGC-RDTXWAMCSA-N	1	1	414.959	1.567	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N4CCCCC4)nn3)C2)C1	ZINC001164720041	720212012	/nfs/dbraw/zinc/21/20/12/720212012.db2.gz	VICJGXIVRLVMFA-OAQYLSRUSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(N4CCCCC4)nn3)C2)C1	ZINC001164720041	720212018	/nfs/dbraw/zinc/21/20/18/720212018.db2.gz	VICJGXIVRLVMFA-OAQYLSRUSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1	ZINC001164718848	720220315	/nfs/dbraw/zinc/22/03/15/720220315.db2.gz	NFLZULKWASQRJM-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1	ZINC001164718848	720220317	/nfs/dbraw/zinc/22/03/17/720220317.db2.gz	NFLZULKWASQRJM-FQEVSTJZSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4nc(Cl)ccc43)C2)C1	ZINC001164716889	720223797	/nfs/dbraw/zinc/22/37/97/720223797.db2.gz	GGNDUMWVPHEGIE-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4nc(Cl)ccc43)C2)C1	ZINC001164716889	720223804	/nfs/dbraw/zinc/22/38/04/720223804.db2.gz	GGNDUMWVPHEGIE-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1[C@@H](C)CC(=O)N3)CCC2	ZINC001164813415	720224525	/nfs/dbraw/zinc/22/45/25/720224525.db2.gz	LTNRAHXSEJDMBB-AWEZNQCLSA-N	1	1	411.510	1.730	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)cnc43)C2)C1	ZINC001164720404	720260402	/nfs/dbraw/zinc/26/04/02/720260402.db2.gz	VCDBKTVPVPEHIP-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)cnc43)C2)C1	ZINC001164720404	720260411	/nfs/dbraw/zinc/26/04/11/720260411.db2.gz	VCDBKTVPVPEHIP-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(N4CCCCC4)n3)C2)C1	ZINC001164720656	720269931	/nfs/dbraw/zinc/26/99/31/720269931.db2.gz	BURLAXHBVRZGHD-OAQYLSRUSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(N4CCCCC4)n3)C2)C1	ZINC001164720656	720269939	/nfs/dbraw/zinc/26/99/39/720269939.db2.gz	BURLAXHBVRZGHD-OAQYLSRUSA-N	1	1	402.543	1.132	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4nc(C(=O)OC)cc-4c[nH]3)C2)C1	ZINC001164720922	720274320	/nfs/dbraw/zinc/27/43/20/720274320.db2.gz	FPUHZWVJDITLQE-NRFANRHFSA-N	1	1	415.494	1.014	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4nc(C(=O)OC)cc-4c[nH]3)C2)C1	ZINC001164720922	720274335	/nfs/dbraw/zinc/27/43/35/720274335.db2.gz	FPUHZWVJDITLQE-NRFANRHFSA-N	1	1	415.494	1.014	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3C(N)=O)CC[C@@H]21	ZINC001164833743	720520859	/nfs/dbraw/zinc/52/08/59/720520859.db2.gz	DPWPHRHBGPEDCN-YCPHGPKFSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc(Cl)c3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164842918	720559163	/nfs/dbraw/zinc/55/91/63/720559163.db2.gz	YVICDLDYWAESRX-QLFBSQMISA-N	1	1	403.918	1.803	20	0		HDADMO
COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncc2c1	ZINC001164738724	720637724	/nfs/dbraw/zinc/63/77/24/720637724.db2.gz	DEWPYJMRZDNWAM-SJORKVTESA-N	1	1	406.446	1.548	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(S(N)(=O)=O)cn1)CC2	ZINC001164840546	720683060	/nfs/dbraw/zinc/68/30/60/720683060.db2.gz	GGQPTSNCTSCVQG-SFHVURJKSA-N	1	1	416.547	1.989	20	0		HDADMO
CSc1nc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2s1	ZINC001164737213	720731988	/nfs/dbraw/zinc/73/19/88/720731988.db2.gz	AXIASWDSPMUHGM-VXGBXAGGSA-N	1	1	401.521	1.940	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)[nH]cc1-2	ZINC001164739007	720750543	/nfs/dbraw/zinc/75/05/43/720750543.db2.gz	HKQABBQDSIDCAJ-GJZGRUSLSA-N	1	1	408.462	1.872	20	0		HDADMO
COc1cc(OC)c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164744926	720804116	/nfs/dbraw/zinc/80/41/16/720804116.db2.gz	JTDIOPFQIUBEPC-GDBMZVCRSA-N	1	1	408.462	1.779	20	0		HDADMO
NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1	ZINC001164742163	720812201	/nfs/dbraw/zinc/81/22/01/720812201.db2.gz	CJXGTAFWKSNSDR-GVDBMIGSSA-N	1	1	415.929	1.805	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1N	ZINC001164740173	720820760	/nfs/dbraw/zinc/82/07/60/720820760.db2.gz	JJQWPHCOIMLMGE-TXPKVOOTSA-N	1	1	411.510	1.421	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164744536	720830081	/nfs/dbraw/zinc/83/00/81/720830081.db2.gz	UYFQGGFGGFBPPS-NRSFXHEJSA-N	1	1	422.537	1.893	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1	ZINC001164850467	720833359	/nfs/dbraw/zinc/83/33/59/720833359.db2.gz	UERMYVBMUQLIST-HOCLYGCPSA-N	1	1	410.540	1.549	20	0		HDADMO
c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(-n5cncn5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1	ZINC001164742534	720850780	/nfs/dbraw/zinc/85/07/80/720850780.db2.gz	HHHPVABZLNSRMJ-BZSNNMDCSA-N	1	1	406.498	1.028	20	0		HDADMO
CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1	ZINC001164850286	720851014	/nfs/dbraw/zinc/85/10/14/720851014.db2.gz	FDLKURJEOIZWLO-CABCVRRESA-N	1	1	412.918	1.409	20	0		HDADMO
CCOC(=O)c1ccc2ncnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c2c1	ZINC001164856829	720855233	/nfs/dbraw/zinc/85/52/33/720855233.db2.gz	POCVGBRXIDGTOI-FXAWDEMLSA-N	1	1	414.506	1.980	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3c(Cl)nc(Cl)nc3C(N)=O)CC[C@H]2C1	ZINC001164858888	720860401	/nfs/dbraw/zinc/86/04/01/720860401.db2.gz	SEXAQDCKJCBSIX-WDEREUQCSA-N	1	1	404.298	1.056	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)CC[C@H]2C1	ZINC001164856825	720870935	/nfs/dbraw/zinc/87/09/35/720870935.db2.gz	PNVLRJJWTCPSNE-HOCLYGCPSA-N	1	1	423.945	1.668	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)[nH]cc1-2	ZINC001164854884	720871818	/nfs/dbraw/zinc/87/18/18/720871818.db2.gz	GGBAHTHHCHWQIA-BEFAXECRSA-N	1	1	402.495	1.913	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)[nH]cc1-2	ZINC001164854884	720871821	/nfs/dbraw/zinc/87/18/21/720871821.db2.gz	GGBAHTHHCHWQIA-BEFAXECRSA-N	1	1	402.495	1.913	20	0		HDADMO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@@H]2C1	ZINC001164854484	720872079	/nfs/dbraw/zinc/87/20/79/720872079.db2.gz	KBRCZWVUTZHBTE-ZIAGYGMSSA-N	1	1	403.932	1.312	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@@H]2C1	ZINC001164854484	720872081	/nfs/dbraw/zinc/87/20/81/720872081.db2.gz	KBRCZWVUTZHBTE-ZIAGYGMSSA-N	1	1	403.932	1.312	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@H]2C1	ZINC001164859194	720877427	/nfs/dbraw/zinc/87/74/27/720877427.db2.gz	LYLKBAFAGOHVBQ-RYUDHWBXSA-N	1	1	416.860	1.676	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)CC[C@@H]2C1	ZINC001164855298	720884727	/nfs/dbraw/zinc/88/47/27/720884727.db2.gz	GPIJUTCDVIXENH-VXGBXAGGSA-N	1	1	413.309	1.900	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164861967	720892576	/nfs/dbraw/zinc/89/25/76/720892576.db2.gz	ZSEZPGOLGCHVCF-GOEBONIOSA-N	1	1	411.934	1.443	20	0		HDADMO
Cc1nc2c(nc(Cl)nc2N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH]1	ZINC001164750614	720951176	/nfs/dbraw/zinc/95/11/76/720951176.db2.gz	LZBQQUFWTFQABW-UHFFFAOYSA-N	1	1	404.862	1.157	20	0		HDADMO
NC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865120	721099933	/nfs/dbraw/zinc/09/99/33/721099933.db2.gz	IMODBDSSEIZNAJ-QWHCGFSZSA-N	1	1	423.304	1.757	20	0		HDADMO
CCOC(=O)c1nnc(Cl)cc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164772748	721118241	/nfs/dbraw/zinc/11/82/41/721118241.db2.gz	WEYJKBBIMXHVKZ-HUUCEWRRSA-N	1	1	404.902	1.999	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nc(Cl)nc4C(N)=O)C[C@@H]3C2)cn1	ZINC001164763434	721148263	/nfs/dbraw/zinc/14/82/63/721148263.db2.gz	FVUWBZUREWMBGG-NEPJUHHUSA-N	1	1	410.309	1.574	20	0		HDADMO
O=c1ccccn1-c1nccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164875491	721157616	/nfs/dbraw/zinc/15/76/16/721157616.db2.gz	LRCDFYHCOHNCEO-RTBURBONSA-N	1	1	404.474	1.502	20	0		HDADMO
CN1CCN(c2nccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1	ZINC001164879871	721168292	/nfs/dbraw/zinc/16/82/92/721168292.db2.gz	UWKHPQNFOYOQCE-VQTJNVASSA-N	1	1	409.538	1.103	20	0		HDADMO
COC(OC)c1c(CO)ccnc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164772354	721173517	/nfs/dbraw/zinc/17/35/17/721173517.db2.gz	SWTWTYPTCWBUJN-AEFFLSMTSA-N	1	1	401.511	1.557	20	0		HDADMO
CCOC(=O)c1ncnc(Cl)c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164769305	721184966	/nfs/dbraw/zinc/18/49/66/721184966.db2.gz	MAKRJMKEHXKJMW-GJZGRUSLSA-N	1	1	404.902	1.999	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CCn3c(CNC(=O)c4ccno4)cnc3C2)nc1)C1CC1	ZINC001164769742	721269044	/nfs/dbraw/zinc/26/90/44/721269044.db2.gz	ZJNCBQMGYICLLT-UHFFFAOYSA-N	1	1	407.478	1.811	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(OCC4CC4)ncn3)CC2)C1	ZINC001164872252	721276712	/nfs/dbraw/zinc/27/67/12/721276712.db2.gz	BHTWNRWIDAYIFF-UHFFFAOYSA-N	1	1	403.527	1.272	20	0		HDADMO
Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(-c2ccncc2)n1	ZINC001164873510	721283626	/nfs/dbraw/zinc/28/36/26/721283626.db2.gz	NIFBVFBZYXMNFB-UHFFFAOYSA-N	1	1	424.549	1.854	20	0		HDADMO
C[C@@H]1CCc2nnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)cc2C1	ZINC001164873802	721289458	/nfs/dbraw/zinc/28/94/58/721289458.db2.gz	AWLLTVNMCZDBBY-QGZVFWFLSA-N	1	1	401.555	1.608	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@H]4C3)n2)CC1	ZINC001164882091	721351897	/nfs/dbraw/zinc/35/18/97/721351897.db2.gz	CAJZOKKXXYPXRU-PMACEKPBSA-N	1	1	422.533	1.206	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc(N(C)C)n3)C2)C1	ZINC001164781418	721355999	/nfs/dbraw/zinc/35/59/99/721355999.db2.gz	JDEOBOWLXHNVCG-NRFANRHFSA-N	1	1	415.542	1.970	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc(N(C)C)n3)C2)C1	ZINC001164781418	721356001	/nfs/dbraw/zinc/35/60/01/721356001.db2.gz	JDEOBOWLXHNVCG-NRFANRHFSA-N	1	1	415.542	1.970	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164886181	721384818	/nfs/dbraw/zinc/38/48/18/721384818.db2.gz	DPGLWDLCXNSMGV-UWJYYQICSA-N	1	1	406.502	1.773	20	0		HDADMO
COC(=O)c1ccc(C)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164894638	721387765	/nfs/dbraw/zinc/38/77/65/721387765.db2.gz	ZKTOCGQAJGLCMC-PGRDOPGGSA-N	1	1	402.539	1.942	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4COC5)C3)O2)CC1	ZINC001164889806	721398580	/nfs/dbraw/zinc/39/85/80/721398580.db2.gz	MKGXBHIPPPIBMJ-MGPUTAFESA-N	1	1	407.946	1.926	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC5CC5)cn4)C3)O2)CC1	ZINC001164891497	721416463	/nfs/dbraw/zinc/41/64/63/721416463.db2.gz	WMPGFVQOEWTHLX-NZQKXSOJSA-N	1	1	413.566	1.739	20	0		HDADMO
C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c21	ZINC001164886595	721418174	/nfs/dbraw/zinc/41/81/74/721418174.db2.gz	KHDRKJCXGXSYAB-CKJXQJPGSA-N	1	1	400.527	1.298	20	0		HDADMO
CCOC(=O)Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164888227	721418180	/nfs/dbraw/zinc/41/81/80/721418180.db2.gz	NQTPQWXCALJQAN-DENIHFKCSA-N	1	1	417.554	1.348	20	0		HDADMO
CC(C)c1nc(N(C)C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164888298	721420547	/nfs/dbraw/zinc/42/05/47/721420547.db2.gz	NYVVZDODTONKHZ-PGRDOPGGSA-N	1	1	417.602	1.826	20	0		HDADMO
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1	ZINC001164895419	721425242	/nfs/dbraw/zinc/42/52/42/721425242.db2.gz	OUTJPEAWYMMTPY-REWPJTCUSA-N	1	1	414.598	1.709	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)C3)O2)CC1	ZINC001164897619	721429715	/nfs/dbraw/zinc/42/97/15/721429715.db2.gz	UJUKOKZEUCVUQZ-AOMKIAJQSA-N	1	1	414.554	1.472	20	0		HDADMO
CCCNC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164899891	721434091	/nfs/dbraw/zinc/43/40/91/721434091.db2.gz	ZMRPPANLXXJBTJ-AUSIDOKSSA-N	1	1	415.582	1.987	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164894928	721444775	/nfs/dbraw/zinc/44/47/75/721444775.db2.gz	NLBBTSLLITZPDP-GHTZIAJQSA-N	1	1	412.542	1.131	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1OC	ZINC001164890337	721452419	/nfs/dbraw/zinc/45/24/19/721452419.db2.gz	QXTSDGFVBVRGFL-IERDGZPVSA-N	1	1	419.526	1.037	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@@H]43)c2)CC1	ZINC001164884871	721459513	/nfs/dbraw/zinc/45/95/13/721459513.db2.gz	BMJYKQWJSWZICX-SLFFLAALSA-N	1	1	400.523	1.817	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncncc1C(=O)OC)CC2	ZINC001164788656	721460571	/nfs/dbraw/zinc/46/05/71/721460571.db2.gz	VJEYTBYMLZYRII-GOSISDBHSA-N	1	1	418.538	1.997	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@]4(COc4ncccc4F)C3)n2)CC1	ZINC001164793394	721487961	/nfs/dbraw/zinc/48/79/61/721487961.db2.gz	RNTOXMOSHFIJHC-IIBYNOLFSA-N	1	1	414.485	1.294	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@H]4COC[C@@]4(COc4ncccc4F)C3)n2)CC1	ZINC001164793392	721488238	/nfs/dbraw/zinc/48/82/38/721488238.db2.gz	RNTOXMOSHFIJHC-HRAATJIYSA-N	1	1	414.485	1.294	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1	ZINC001164903135	721552338	/nfs/dbraw/zinc/55/23/38/721552338.db2.gz	AVTNRZFURPHTEC-WMZOPIPTSA-N	1	1	420.510	1.813	20	0		HDADMO
CCOC(=O)Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1	ZINC001164805848	721561097	/nfs/dbraw/zinc/56/10/97/721561097.db2.gz	PCYWNTZFGQCFHR-ZJOUEHCJSA-N	1	1	411.506	1.845	20	0		HDADMO
CCOC(=O)Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1	ZINC001164805848	721561103	/nfs/dbraw/zinc/56/11/03/721561103.db2.gz	PCYWNTZFGQCFHR-ZJOUEHCJSA-N	1	1	411.506	1.845	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@H]2CCCO[C@H]12	ZINC001164803100	721562019	/nfs/dbraw/zinc/56/20/19/721562019.db2.gz	JJARZOOMNSBKHQ-VBQJREDUSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@H]2CCCO[C@H]12	ZINC001164803100	721562024	/nfs/dbraw/zinc/56/20/24/721562024.db2.gz	JJARZOOMNSBKHQ-VBQJREDUSA-N	1	1	402.886	1.492	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc21	ZINC001164805364	721562466	/nfs/dbraw/zinc/56/24/66/721562466.db2.gz	MVQOLRBRHHYCKL-ZIFCJYIRSA-N	1	1	409.494	1.128	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc21	ZINC001164805364	721562469	/nfs/dbraw/zinc/56/24/69/721562469.db2.gz	MVQOLRBRHHYCKL-ZIFCJYIRSA-N	1	1	409.494	1.128	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc21	ZINC001164805362	721562783	/nfs/dbraw/zinc/56/27/83/721562783.db2.gz	MVQOLRBRHHYCKL-JENIJYKNSA-N	1	1	409.494	1.128	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc21	ZINC001164805362	721562786	/nfs/dbraw/zinc/56/27/86/721562786.db2.gz	MVQOLRBRHHYCKL-JENIJYKNSA-N	1	1	409.494	1.128	20	0		HDADMO
COC(=O)c1ncnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC	ZINC001164910753	721567811	/nfs/dbraw/zinc/56/78/11/721567811.db2.gz	XIILLCZFQKRNPZ-HOCLYGCPSA-N	1	1	402.426	1.753	20	0		HDADMO
CCOC(=O)Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nn1	ZINC001164806702	721568238	/nfs/dbraw/zinc/56/82/38/721568238.db2.gz	RELMRXIEVUZFQX-CNNODRBYSA-N	1	1	411.506	1.845	20	0		HDADMO
CCOC(=O)Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nn1	ZINC001164806702	721568240	/nfs/dbraw/zinc/56/82/40/721568240.db2.gz	RELMRXIEVUZFQX-CNNODRBYSA-N	1	1	411.506	1.845	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cn3cncn3)cn2)[C@H]2CCCO[C@@H]12	ZINC001164810172	721577978	/nfs/dbraw/zinc/57/79/78/721577978.db2.gz	UXOARNGFKQSWHZ-TUNNFDKTSA-N	1	1	405.506	1.985	20	0		HDADMO
Cn1nnc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164909113	721725998	/nfs/dbraw/zinc/72/59/98/721725998.db2.gz	BNNXSLAPSYWQRZ-SFHVURJKSA-N	1	1	400.437	1.891	20	0		HDADMO
CN(C)C(=O)CN1CCC2(CCCN2c2ccc(OC3CC[NH2+]CC3)nn2)CC1	ZINC001165011489	721746122	/nfs/dbraw/zinc/74/61/22/721746122.db2.gz	XVNIOOOVSYBDNU-UHFFFAOYSA-N	1	1	402.543	1.130	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)n1C	ZINC001164926604	721876735	/nfs/dbraw/zinc/87/67/35/721876735.db2.gz	SAPJJYZOETWQGQ-UONOGXRCSA-N	1	1	406.918	1.623	20	0		HDADMO
COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1C	ZINC001164926604	721876736	/nfs/dbraw/zinc/87/67/36/721876736.db2.gz	SAPJJYZOETWQGQ-UONOGXRCSA-N	1	1	406.918	1.623	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164935477	721881324	/nfs/dbraw/zinc/88/13/24/721881324.db2.gz	WYQBUUKYWXDELK-QXAKKESOSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164935477	721881328	/nfs/dbraw/zinc/88/13/28/721881328.db2.gz	WYQBUUKYWXDELK-QXAKKESOSA-N	1	1	409.600	1.763	20	0		HDADMO
C[C@H]1C(=O)NCCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1	ZINC001165039193	721883001	/nfs/dbraw/zinc/88/30/01/721883001.db2.gz	YGDWKJSLVBKQSZ-LSDHHAIUSA-N	1	1	403.527	1.205	20	0		HDADMO
CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2)cc1	ZINC001165038680	721915787	/nfs/dbraw/zinc/91/57/87/721915787.db2.gz	NYSFQOWZHZLPIS-QGZVFWFLSA-N	1	1	418.519	1.973	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CCN(C(N)=O)CC2)c1C[N@H+]1CC[C@@H](CO)C1	ZINC001165044615	721941325	/nfs/dbraw/zinc/94/13/25/721941325.db2.gz	OVGIHDJHEHFJAY-OAHLLOKOSA-N	1	1	418.542	1.081	20	0		HDADMO
CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]12	ZINC001164949287	721967669	/nfs/dbraw/zinc/96/76/69/721967669.db2.gz	WQWCUEPQHOFUMO-XUZZJYLKSA-N	1	1	420.561	1.997	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C2)OCCO3)c1C[N@H+]1CC[C@@H](CO)C1	ZINC001165048567	721985336	/nfs/dbraw/zinc/98/53/36/721985336.db2.gz	ZKYOTEUFMBHAIG-MRXNPFEDSA-N	1	1	418.538	1.834	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C2(C)C)c1C[N@@H+]1CC[C@@H](CO)C1	ZINC001165051828	721994976	/nfs/dbraw/zinc/99/49/76/721994976.db2.gz	LTJCRCIMLKDLFT-OAHLLOKOSA-N	1	1	417.554	1.595	20	0		HDADMO
CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C2(C)C)c1C[N@H+]1CC[C@@H](CO)C1	ZINC001165051828	721994979	/nfs/dbraw/zinc/99/49/79/721994979.db2.gz	LTJCRCIMLKDLFT-OAHLLOKOSA-N	1	1	417.554	1.595	20	0		HDADMO
CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)C1	ZINC001164953311	722010882	/nfs/dbraw/zinc/01/08/82/722010882.db2.gz	DXLSNXKZLPDJSM-VGSWGCGISA-N	1	1	417.554	1.954	20	0		HDADMO
O=S(=O)(c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1)N1CCCC1	ZINC001165055177	722017197	/nfs/dbraw/zinc/01/71/97/722017197.db2.gz	KZLWSJDAGKQIPJ-UHFFFAOYSA-N	1	1	401.536	1.626	20	0		HDADMO
Cc1ccc(N(c2cccc(N3CCN(C)CC3)n2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001164957485	722025326	/nfs/dbraw/zinc/02/53/26/722025326.db2.gz	CGIZGSVLWDCDHJ-AUSIDOKSSA-N	1	1	423.565	1.981	20	0		HDADMO
Cc1ccc(N(c2ccc(N3CCN(C)CC3)nn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001164963459	722025464	/nfs/dbraw/zinc/02/54/64/722025464.db2.gz	UMKOIYLYNXUSNV-AVRDEDQJSA-N	1	1	424.553	1.376	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164959412	722054133	/nfs/dbraw/zinc/05/41/33/722054133.db2.gz	IXBDFHPFWZSPKO-UHFFFAOYSA-N	1	1	416.913	1.743	20	0		HDADMO
CN(C)C(=O)c1cncc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1	ZINC001164963280	722060471	/nfs/dbraw/zinc/06/04/71/722060471.db2.gz	VIWIPYOHUMXPMO-UHFFFAOYSA-N	1	1	410.522	1.692	20	0		HDADMO
COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12	ZINC001164983069	722126468	/nfs/dbraw/zinc/12/64/68/722126468.db2.gz	XXGRPZCUOGYKBN-AEFFLSMTSA-N	1	1	422.489	1.867	20	0		HDADMO
CC1(C)C(=O)Nc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21	ZINC001164979676	722137303	/nfs/dbraw/zinc/13/73/03/722137303.db2.gz	LSOLBWBAHKUSFN-IRXDYDNUSA-N	1	1	408.506	1.829	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1	ZINC001164984904	722147813	/nfs/dbraw/zinc/14/78/13/722147813.db2.gz	YJAKTWMCEGGFFL-PXNSSMCTSA-N	1	1	408.506	1.491	20	0		HDADMO
CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2	ZINC001164989253	722189068	/nfs/dbraw/zinc/18/90/68/722189068.db2.gz	BBODORHWEXLCGS-UHFFFAOYSA-N	1	1	409.534	1.531	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164996609	722229750	/nfs/dbraw/zinc/22/97/50/722229750.db2.gz	LAZPWVCHPPKCGW-UHFFFAOYSA-N	1	1	417.901	1.064	20	0		HDADMO
COCc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(SC)n1	ZINC001164997605	722233326	/nfs/dbraw/zinc/23/33/26/722233326.db2.gz	RTBXZNWYLCDHRM-UHFFFAOYSA-N	1	1	415.567	1.492	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2cc(-c4ccncc4)ncn2)CC3)CC1	ZINC001165001807	722238003	/nfs/dbraw/zinc/23/80/03/722238003.db2.gz	MBZMEFDLTAILMW-UHFFFAOYSA-N	1	1	402.506	1.686	20	0		HDADMO
Cc1noc(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2)n1	ZINC001165001478	722238121	/nfs/dbraw/zinc/23/81/21/722238121.db2.gz	GLRQVKMOUFWPBN-UHFFFAOYSA-N	1	1	406.494	1.587	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)CN3C(=O)NC(C4CC4)(C4CC4)C3=O)CC2)c1	ZINC000509072935	1073460018	/nfs/dbraw/zinc/46/00/18/1073460018.db2.gz	XOKLXXLQEDQIHS-UHFFFAOYSA-N	1	1	410.518	1.750	20	0		HDADMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCN(Cc2ncc[nH]2)CC1	ZINC000429055164	1073482637	/nfs/dbraw/zinc/48/26/37/1073482637.db2.gz	SGGAFCYNXLMQSG-HXUWFJFHSA-N	1	1	412.538	1.528	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1	ZINC000429060203	1073493781	/nfs/dbraw/zinc/49/37/81/1073493781.db2.gz	LLSHAMJKXBGJIE-IEBWSBKVSA-N	1	1	409.552	1.732	20	0		HDADMO
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429061157	1073495841	/nfs/dbraw/zinc/49/58/41/1073495841.db2.gz	QQNKXVJMAGNHIH-QGZVFWFLSA-N	1	1	411.531	1.607	20	0		HDADMO
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC001299281971	1073515071	/nfs/dbraw/zinc/51/50/71/1073515071.db2.gz	VOUAQTDANVEDQV-AEFFLSMTSA-N	1	1	412.575	1.983	20	0		HDADMO
C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[N@H+]1Cc1ccccc1	ZINC000509099791	1073518582	/nfs/dbraw/zinc/51/85/82/1073518582.db2.gz	XMAVSPLCHPOBMW-BHIYHBOVSA-N	1	1	409.552	1.400	20	0		HDADMO
C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1	ZINC000509097350	1073521460	/nfs/dbraw/zinc/52/14/60/1073521460.db2.gz	JMKBSUTXVRQGFJ-MOXGXCLJSA-N	1	1	421.973	1.795	20	0		HDADMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000429081709	1073526857	/nfs/dbraw/zinc/52/68/57/1073526857.db2.gz	PWAHOZAEANDCIZ-IXDOHACOSA-N	1	1	400.531	1.369	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000429084837	1073531872	/nfs/dbraw/zinc/53/18/72/1073531872.db2.gz	XMWDEPHBNVXANC-MAUKXSAKSA-N	1	1	400.483	1.161	20	0		HDADMO
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625183259	1073543175	/nfs/dbraw/zinc/54/31/75/1073543175.db2.gz	MEHZOFPVPPKVMD-CABCVRRESA-N	1	1	401.554	1.128	20	0		HDADMO
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625182640	1073551663	/nfs/dbraw/zinc/55/16/63/1073551663.db2.gz	KHHZTAFDIFXJNZ-KRWDZBQOSA-N	1	1	401.511	1.698	20	0		HDADMO
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000671415098	1073570637	/nfs/dbraw/zinc/57/06/37/1073570637.db2.gz	IYFXILYACKWXRH-QUCCMNQESA-N	1	1	407.518	1.682	20	0		HDADMO
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000671415097	1073570895	/nfs/dbraw/zinc/57/08/95/1073570895.db2.gz	IYFXILYACKWXRH-ICSRJNTNSA-N	1	1	407.518	1.682	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCOCC(F)(F)C(F)F	ZINC000429098679	1073574289	/nfs/dbraw/zinc/57/42/89/1073574289.db2.gz	PHFUVGFPKQPCCF-CQSZACIVSA-N	1	1	421.439	1.808	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCOCC(F)(F)C(F)F	ZINC000429098677	1073574442	/nfs/dbraw/zinc/57/44/42/1073574442.db2.gz	PHFUVGFPKQPCCF-AWEZNQCLSA-N	1	1	421.439	1.808	20	0		HDADMO
O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000429104044	1073588872	/nfs/dbraw/zinc/58/88/72/1073588872.db2.gz	OUIWRFIWVLBXCU-LJQANCHMSA-N	1	1	413.522	1.075	20	0		HDADMO
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000673656730	1073595571	/nfs/dbraw/zinc/59/55/71/1073595571.db2.gz	KBSBXZCLNIYPSH-DNVCBOLYSA-N	1	1	402.520	1.832	20	0		HDADMO
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000673656730	1073595582	/nfs/dbraw/zinc/59/55/82/1073595582.db2.gz	KBSBXZCLNIYPSH-DNVCBOLYSA-N	1	1	402.520	1.832	20	0		HDADMO
CN(c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1)S(C)(=O)=O	ZINC000673670565	1073624075	/nfs/dbraw/zinc/62/40/75/1073624075.db2.gz	ZBBSYYKORPRXCK-LJQANCHMSA-N	1	1	402.520	1.758	20	0		HDADMO
CN(c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1)S(C)(=O)=O	ZINC000673670565	1073624077	/nfs/dbraw/zinc/62/40/77/1073624077.db2.gz	ZBBSYYKORPRXCK-LJQANCHMSA-N	1	1	402.520	1.758	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000673673687	1073630016	/nfs/dbraw/zinc/63/00/16/1073630016.db2.gz	UGEMIDRMJXKRQN-KRWDZBQOSA-N	1	1	414.554	1.462	20	0		HDADMO
CO[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)c1ccccc1	ZINC000509127800	1073663497	/nfs/dbraw/zinc/66/34/97/1073663497.db2.gz	ZPMDCTWEGZKKOF-HXUWFJFHSA-N	1	1	403.523	1.451	20	0		HDADMO
CCCCCN(C(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000429120118	1073684446	/nfs/dbraw/zinc/68/44/46/1073684446.db2.gz	CPXACOJKOLYOJX-HOTGVXAUSA-N	1	1	423.558	1.700	20	0		HDADMO
CCCCCN(C(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000429120118	1073684449	/nfs/dbraw/zinc/68/44/49/1073684449.db2.gz	CPXACOJKOLYOJX-HOTGVXAUSA-N	1	1	423.558	1.700	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)CC1	ZINC000429123098	1073698276	/nfs/dbraw/zinc/69/82/76/1073698276.db2.gz	SMUIEFCUAVDWRS-OALUTQOASA-N	1	1	402.539	1.231	20	0		HDADMO
CCN(CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)S(C)(=O)=O	ZINC000673772252	1073704381	/nfs/dbraw/zinc/70/43/81/1073704381.db2.gz	UDCJYXISWXMWRG-GOSISDBHSA-N	1	1	410.584	1.964	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3csc(C)n3)CC2)cc1	ZINC000509138981	1073712489	/nfs/dbraw/zinc/71/24/89/1073712489.db2.gz	OICMTJAUJJGIOL-LJQANCHMSA-N	1	1	404.536	1.967	20	0		HDADMO
CCS(=O)(=O)N(C)CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000673770074	1073714309	/nfs/dbraw/zinc/71/43/09/1073714309.db2.gz	HIOGYCHRAGUCPZ-SFHVURJKSA-N	1	1	410.584	1.964	20	0		HDADMO
CN1CCOc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc21	ZINC000673783409	1073721718	/nfs/dbraw/zinc/72/17/18/1073721718.db2.gz	SVRPZFNILIJUKT-QGZVFWFLSA-N	1	1	402.495	1.167	20	0		HDADMO
COC[C@@]1(C)NC(=O)N(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)C1=O	ZINC000766029513	1073733084	/nfs/dbraw/zinc/73/30/84/1073733084.db2.gz	BCPCBRNRJJZPFB-OAQYLSRUSA-N	1	1	405.495	1.851	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)C1	ZINC000673816389	1073760740	/nfs/dbraw/zinc/76/07/40/1073760740.db2.gz	CYPVJBWJCRRFRY-IEBWSBKVSA-N	1	1	408.506	1.781	20	0		HDADMO
O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000057137897	1073793447	/nfs/dbraw/zinc/79/34/47/1073793447.db2.gz	LKQIYWIJIPOAJU-VQTJNVASSA-N	1	1	405.564	1.230	20	0		HDADMO
Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H](CC(N)=O)C3CCOCC3)s2)cc1	ZINC000543490411	1073795867	/nfs/dbraw/zinc/79/58/67/1073795867.db2.gz	DHFRBZMWDOIKNX-MRXNPFEDSA-N	1	1	417.535	1.537	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1	ZINC000501891243	1073795912	/nfs/dbraw/zinc/79/59/12/1073795912.db2.gz	SUQNNVDZDVMNCY-JFIYKMOQSA-N	1	1	409.552	1.651	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)c2cccs2)CC1	ZINC000673839354	1073803229	/nfs/dbraw/zinc/80/32/29/1073803229.db2.gz	ZXIUTFFVYCFITR-DLBZAZTESA-N	1	1	400.552	1.612	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000509161230	1073806147	/nfs/dbraw/zinc/80/61/47/1073806147.db2.gz	ARQBUZGEPFBMIE-XUVXKRRUSA-N	1	1	421.563	1.496	20	0		HDADMO
NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1	ZINC000673836042	1073810524	/nfs/dbraw/zinc/81/05/24/1073810524.db2.gz	JGCVEQRMACIUST-LJQANCHMSA-N	1	1	405.495	1.895	20	0		HDADMO
NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1	ZINC000673836042	1073810536	/nfs/dbraw/zinc/81/05/36/1073810536.db2.gz	JGCVEQRMACIUST-LJQANCHMSA-N	1	1	405.495	1.895	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)CC1	ZINC000673838479	1073812128	/nfs/dbraw/zinc/81/21/28/1073812128.db2.gz	NSRMBYKCVPPLMV-MRXNPFEDSA-N	1	1	403.918	1.278	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)CC1	ZINC000673838479	1073812136	/nfs/dbraw/zinc/81/21/36/1073812136.db2.gz	NSRMBYKCVPPLMV-MRXNPFEDSA-N	1	1	403.918	1.278	20	0		HDADMO
COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)c(OC)c1OC	ZINC000673846473	1073821276	/nfs/dbraw/zinc/82/12/76/1073821276.db2.gz	PLAIVUCCDOFVPB-INIZCTEOSA-N	1	1	405.495	1.481	20	0		HDADMO
CC[C@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000509163668	1073870633	/nfs/dbraw/zinc/87/06/33/1073870633.db2.gz	GBYCRPVNTPTCNS-VQTJNVASSA-N	1	1	418.538	1.166	20	0		HDADMO
CC[C@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000509163668	1073870644	/nfs/dbraw/zinc/87/06/44/1073870644.db2.gz	GBYCRPVNTPTCNS-VQTJNVASSA-N	1	1	418.538	1.166	20	0		HDADMO
CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000509163667	1073870682	/nfs/dbraw/zinc/87/06/82/1073870682.db2.gz	GBYCRPVNTPTCNS-UXHICEINSA-N	1	1	418.538	1.166	20	0		HDADMO
CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000509163667	1073870693	/nfs/dbraw/zinc/87/06/93/1073870693.db2.gz	GBYCRPVNTPTCNS-UXHICEINSA-N	1	1	418.538	1.166	20	0		HDADMO
CCCCN(C(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429161192	1073873351	/nfs/dbraw/zinc/87/33/51/1073873351.db2.gz	ITFOJEXFTPXMKQ-GJZGRUSLSA-N	1	1	409.531	1.165	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429161192	1073873364	/nfs/dbraw/zinc/87/33/64/1073873364.db2.gz	ITFOJEXFTPXMKQ-GJZGRUSLSA-N	1	1	409.531	1.165	20	0		HDADMO
CN(C)c1cc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c2ccccc2n1	ZINC000466553655	1073888149	/nfs/dbraw/zinc/88/81/49/1073888149.db2.gz	XLNQDEQGMDNIJQ-OAQYLSRUSA-N	1	1	401.511	1.183	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1	ZINC000466555212	1073905059	/nfs/dbraw/zinc/90/50/59/1073905059.db2.gz	LPOIACAUPMGTAO-UHFFFAOYSA-N	1	1	422.327	1.940	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000030145951	1073917773	/nfs/dbraw/zinc/91/77/73/1073917773.db2.gz	HUSDWBUWIPHGOD-UHFFFAOYSA-N	1	1	410.518	1.690	20	0		HDADMO
O=C(Cn1ccc(=O)[nH]c1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000015629417	1073920018	/nfs/dbraw/zinc/92/00/18/1073920018.db2.gz	CPCSEPJUAHWPAE-UHFFFAOYSA-N	1	1	404.470	1.470	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000429174483	1073943491	/nfs/dbraw/zinc/94/34/91/1073943491.db2.gz	YRZQOMXVKKWQMT-SJORKVTESA-N	1	1	403.593	1.115	20	0		HDADMO
CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1	ZINC000543513639	1073943985	/nfs/dbraw/zinc/94/39/85/1073943985.db2.gz	DPUGLXFWCMCZFF-HXUWFJFHSA-N	1	1	422.595	1.153	20	0		HDADMO
Cn1cc(N2CCN(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)CC2=O)cn1	ZINC000429175216	1073948337	/nfs/dbraw/zinc/94/83/37/1073948337.db2.gz	IJRTYMXKTLSMRN-QGZVFWFLSA-N	1	1	404.902	1.735	20	0		HDADMO
CO[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC[C@H]1C	ZINC000466566621	1073953999	/nfs/dbraw/zinc/95/39/99/1073953999.db2.gz	KZLLMHSSACUDAI-VQIMIIECSA-N	1	1	424.567	1.902	20	0		HDADMO
CO[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC[C@H]1C	ZINC000466566621	1073954006	/nfs/dbraw/zinc/95/40/06/1073954006.db2.gz	KZLLMHSSACUDAI-VQIMIIECSA-N	1	1	424.567	1.902	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](C)O)cc1	ZINC000670439768	1073961269	/nfs/dbraw/zinc/96/12/69/1073961269.db2.gz	LGKHXDBHEGCIRX-DOXZYTNZSA-N	1	1	400.479	1.356	20	0		HDADMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1	ZINC000509182199	1073964389	/nfs/dbraw/zinc/96/43/89/1073964389.db2.gz	HIPCBSNHICFXBD-LJQANCHMSA-N	1	1	421.519	1.524	20	0		HDADMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1	ZINC000509182199	1073964392	/nfs/dbraw/zinc/96/43/92/1073964392.db2.gz	HIPCBSNHICFXBD-LJQANCHMSA-N	1	1	421.519	1.524	20	0		HDADMO
C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)N1CC[NH+](C)CC1	ZINC000543529626	1074020935	/nfs/dbraw/zinc/02/09/35/1074020935.db2.gz	VSBZGPNIQXXIMA-QFBILLFUSA-N	1	1	400.523	1.577	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCc1cn2c(n1)SCC2	ZINC000466583588	1074024045	/nfs/dbraw/zinc/02/40/45/1074024045.db2.gz	HMJITZHAYYHPMA-UHFFFAOYSA-N	1	1	415.567	1.438	20	0		HDADMO
Cc1nn(C)c(C)c1CNC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000466588332	1074039202	/nfs/dbraw/zinc/03/92/02/1074039202.db2.gz	NZTGTGPOGKAAEO-UHFFFAOYSA-N	1	1	400.527	1.866	20	0		HDADMO
C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1nc(-c2ccc(Br)cc2)no1	ZINC000543544102	1074057528	/nfs/dbraw/zinc/05/75/28/1074057528.db2.gz	NGZGCAZFNTTXQL-WFASDCNBSA-N	1	1	411.300	1.843	20	0		HDADMO
CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000110735854	1074061526	/nfs/dbraw/zinc/06/15/26/1074061526.db2.gz	MESVYGWJKLAEGA-OAHLLOKOSA-N	1	1	421.567	1.607	20	0		HDADMO
CCn1c(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000110735854	1074061534	/nfs/dbraw/zinc/06/15/34/1074061534.db2.gz	MESVYGWJKLAEGA-OAHLLOKOSA-N	1	1	421.567	1.607	20	0		HDADMO
C[C@H](NCC(=O)N1CC[NH+](C)CC1)c1nc(-c2ccc(Br)cc2)no1	ZINC000543547726	1074064813	/nfs/dbraw/zinc/06/48/13/1074064813.db2.gz	VJPVZZVARKVESO-LBPRGKRZSA-N	1	1	408.300	1.924	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O)CC2	ZINC000466599392	1074068344	/nfs/dbraw/zinc/06/83/44/1074068344.db2.gz	UVXLHLWOLAELDZ-QZTJIDSGSA-N	1	1	418.538	1.795	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O)CC2	ZINC000466599392	1074068350	/nfs/dbraw/zinc/06/83/50/1074068350.db2.gz	UVXLHLWOLAELDZ-QZTJIDSGSA-N	1	1	418.538	1.795	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1CCCCC[C@H]1C(N)=O)CC2	ZINC000466599391	1074068372	/nfs/dbraw/zinc/06/83/72/1074068372.db2.gz	UVXLHLWOLAELDZ-MSOLQXFVSA-N	1	1	418.538	1.795	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1CCCCC[C@H]1C(N)=O)CC2	ZINC000466599391	1074068374	/nfs/dbraw/zinc/06/83/74/1074068374.db2.gz	UVXLHLWOLAELDZ-MSOLQXFVSA-N	1	1	418.538	1.795	20	0		HDADMO
CO[C@@H](C)c1noc(CN2CCCN(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)n1	ZINC000429200674	1074070429	/nfs/dbraw/zinc/07/04/29/1074070429.db2.gz	QQJWHNQLBRWNSH-JKSUJKDBSA-N	1	1	420.514	1.890	20	0		HDADMO
O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1	ZINC000543553342	1074078858	/nfs/dbraw/zinc/07/88/58/1074078858.db2.gz	NEFMBGBQVGDXLS-UHFFFAOYSA-N	1	1	413.522	1.627	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)NCC(C)(C)S(C)(=O)=O)CC2)oc1C	ZINC000674031138	1074092016	/nfs/dbraw/zinc/09/20/16/1074092016.db2.gz	QYLFKFAXPKLIIM-UHFFFAOYSA-N	1	1	400.545	1.626	20	0		HDADMO
CCc1cc(N2CCC(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](CC)C[C@H]3C)CC2)ncn1	ZINC000674046074	1074139681	/nfs/dbraw/zinc/13/96/81/1074139681.db2.gz	BOWGZPVLANEKRV-VQIMIIECSA-N	1	1	416.570	1.313	20	0		HDADMO
CNc1nc(NC[C@]2(C)CCO[C@@H]2C2CC2)[nH+]c(NC[C@]2(C)CCO[C@@H]2C2CC2)n1	ZINC000466622121	1074142931	/nfs/dbraw/zinc/14/29/31/1074142931.db2.gz	XGQYYHAKZQSQFG-YAKVFXAGSA-N	1	1	416.570	1.413	20	0		HDADMO
CC[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)C1	ZINC000543580922	1074169768	/nfs/dbraw/zinc/16/97/68/1074169768.db2.gz	VRUJEEHKSKKEIN-IAGOWNOFSA-N	1	1	410.584	1.907	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2N)cc1F	ZINC000670464842	1074178229	/nfs/dbraw/zinc/17/82/29/1074178229.db2.gz	MNIXTGDDSUOHMA-UHFFFAOYSA-N	1	1	417.466	1.497	20	0		HDADMO
CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCCN1CCC[N@H+](C)CC1	ZINC000674092825	1074181112	/nfs/dbraw/zinc/18/11/12/1074181112.db2.gz	PBEBWKNHQGSQMS-NRFANRHFSA-N	1	1	417.529	1.498	20	0		HDADMO
CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCC[N@H+]1CCCN(C)CC1	ZINC000674092825	1074181119	/nfs/dbraw/zinc/18/11/19/1074181119.db2.gz	PBEBWKNHQGSQMS-NRFANRHFSA-N	1	1	417.529	1.498	20	0		HDADMO
CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCC[N@@H+]1CCCN(C)CC1	ZINC000674092825	1074181126	/nfs/dbraw/zinc/18/11/26/1074181126.db2.gz	PBEBWKNHQGSQMS-NRFANRHFSA-N	1	1	417.529	1.498	20	0		HDADMO
O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[C@H](n2ccnc2)C1	ZINC000674203061	1074217549	/nfs/dbraw/zinc/21/75/49/1074217549.db2.gz	ZRDWUQAIMWVZSI-FQEVSTJZSA-N	1	1	411.506	1.560	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@@H](CCO)C3)cc2)CC1	ZINC000674204794	1074219772	/nfs/dbraw/zinc/21/97/72/1074219772.db2.gz	BUHWVCFLZOEFOK-KRWDZBQOSA-N	1	1	416.522	1.024	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000674227575	1074234780	/nfs/dbraw/zinc/23/47/80/1074234780.db2.gz	XNOUTQHBJRLDRD-KKSFZXQISA-N	1	1	420.513	1.938	20	0		HDADMO
CC(=O)N(C)c1ccc(NC(=O)C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1	ZINC000674230452	1074236723	/nfs/dbraw/zinc/23/67/23/1074236723.db2.gz	XKKZWEWPFFHHCS-UHFFFAOYSA-N	1	1	424.505	1.800	20	0		HDADMO
CC(C)CN(C(=O)CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000674250696	1074243117	/nfs/dbraw/zinc/24/31/17/1074243117.db2.gz	FTCFCGVQEAAGLM-NHCUHLMSSA-N	1	1	421.607	1.864	20	0		HDADMO
CC(C)CN(C(=O)CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000674250696	1074243123	/nfs/dbraw/zinc/24/31/23/1074243123.db2.gz	FTCFCGVQEAAGLM-NHCUHLMSSA-N	1	1	421.607	1.864	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1	ZINC000674251067	1074243138	/nfs/dbraw/zinc/24/31/38/1074243138.db2.gz	IUMPTUWRWFFGJW-HXUWFJFHSA-N	1	1	415.559	1.913	20	0		HDADMO
CC(C)CN(C(=O)CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000674250695	1074243234	/nfs/dbraw/zinc/24/32/34/1074243234.db2.gz	FTCFCGVQEAAGLM-LEWJYISDSA-N	1	1	421.607	1.864	20	0		HDADMO
CC(C)CN(C(=O)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000674250695	1074243240	/nfs/dbraw/zinc/24/32/40/1074243240.db2.gz	FTCFCGVQEAAGLM-LEWJYISDSA-N	1	1	421.607	1.864	20	0		HDADMO
C[N@H+]1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@@H]1c1ccccc1	ZINC000429224611	1074245767	/nfs/dbraw/zinc/24/57/67/1074245767.db2.gz	YJPKBDGWXOEELV-KUHUBIRLSA-N	1	1	408.462	1.944	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cn1	ZINC000674317182	1074265606	/nfs/dbraw/zinc/26/56/06/1074265606.db2.gz	ITLBWHSZIOMRPI-UHFFFAOYSA-N	1	1	407.563	1.193	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1	ZINC000674326519	1074276390	/nfs/dbraw/zinc/27/63/90/1074276390.db2.gz	MXAAEKZXOCFBNF-AEFFLSMTSA-N	1	1	417.531	1.882	20	0		HDADMO
O=S(=O)(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1Cc2ccccc2C1	ZINC000674342190	1074285216	/nfs/dbraw/zinc/28/52/16/1074285216.db2.gz	CDCTYFKMKZQHAK-UHFFFAOYSA-N	1	1	415.563	1.466	20	0		HDADMO
COc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCC(OC)CC1	ZINC000674333835	1074287143	/nfs/dbraw/zinc/28/71/43/1074287143.db2.gz	NCQLZSXVLJGBIO-UHFFFAOYSA-N	1	1	407.330	1.847	20	0		HDADMO
COC1CC[NH+](CCNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1	ZINC000674333720	1074287202	/nfs/dbraw/zinc/28/72/02/1074287202.db2.gz	GBUOOJRGWUWZSG-UHFFFAOYSA-N	1	1	423.457	1.368	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1	ZINC000674333564	1074287573	/nfs/dbraw/zinc/28/75/73/1074287573.db2.gz	XWBFDJFMQZIRKK-QRQLOZEOSA-N	1	1	408.568	1.763	20	0		HDADMO
CN(Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C[C@H](O)C[NH+]1CCOCC1	ZINC000674374022	1074300151	/nfs/dbraw/zinc/30/01/51/1074300151.db2.gz	YNAWHZRXGPGTKE-ZDUSSCGKSA-N	1	1	400.401	1.479	20	0		HDADMO
COC(=O)N(C)Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1	ZINC000766061139	1074306391	/nfs/dbraw/zinc/30/63/91/1074306391.db2.gz	MNXPDIBTBZGRHM-SFHVURJKSA-N	1	1	417.510	1.655	20	0		HDADMO
CCN(CC(C)(C)O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674382754	1074306475	/nfs/dbraw/zinc/30/64/75/1074306475.db2.gz	SRPZAHASUIFBAE-UHFFFAOYSA-N	1	1	405.543	1.522	20	0		HDADMO
CCC[C@](C)(CO)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674382630	1074307038	/nfs/dbraw/zinc/30/70/38/1074307038.db2.gz	PWEVJSYXCDAAOM-OAQYLSRUSA-N	1	1	405.543	1.569	20	0		HDADMO
CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674395784	1074310091	/nfs/dbraw/zinc/31/00/91/1074310091.db2.gz	FOKQLHXKURRDOR-SFTDATJTSA-N	1	1	404.555	1.233	20	0		HDADMO
COc1cc2[nH+]c(NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)nc(N)c2cc1OC	ZINC000674413266	1074313716	/nfs/dbraw/zinc/31/37/16/1074313716.db2.gz	FCTJWDRVFJKJML-APBUJDDRSA-N	1	1	400.439	1.362	20	0		HDADMO
C[C@H](CNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@@H+]1CCc2sccc2C1	ZINC000674424158	1074325502	/nfs/dbraw/zinc/32/55/02/1074325502.db2.gz	HVKMTQFFENABHI-IAMHBRQHSA-N	1	1	419.551	1.514	20	0		HDADMO
C[C@H](CNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@H+]1CCc2sccc2C1	ZINC000674424158	1074325508	/nfs/dbraw/zinc/32/55/08/1074325508.db2.gz	HVKMTQFFENABHI-IAMHBRQHSA-N	1	1	419.551	1.514	20	0		HDADMO
C[C@H](CCNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1	ZINC000674435410	1074333610	/nfs/dbraw/zinc/33/36/10/1074333610.db2.gz	REUKCKQOKXOGSL-RADWXHQJSA-N	1	1	415.538	1.917	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1=O	ZINC000674437786	1074336112	/nfs/dbraw/zinc/33/61/12/1074336112.db2.gz	DERHMPFTGAURLM-YWZLYKJASA-N	1	1	405.474	1.277	20	0		HDADMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1	ZINC000674433070	1074343873	/nfs/dbraw/zinc/34/38/73/1074343873.db2.gz	SPEBQMQXODGWHQ-VWKPWSFCSA-N	1	1	407.559	1.907	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC000674432871	1074343936	/nfs/dbraw/zinc/34/39/36/1074343936.db2.gz	PRWMZIZEVYSPNK-TVTNDZMWSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC000674432871	1074343945	/nfs/dbraw/zinc/34/39/45/1074343945.db2.gz	PRWMZIZEVYSPNK-TVTNDZMWSA-N	1	1	413.522	1.623	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C1	ZINC000674455110	1074357872	/nfs/dbraw/zinc/35/78/72/1074357872.db2.gz	WJKKQUIQTRHARN-XNGFIGEISA-N	1	1	413.522	1.842	20	0		HDADMO
C[N@H+](CCN1CCCS1(=O)=O)C[C@@H](O)COc1ccc(Br)cc1	ZINC000674462205	1074363335	/nfs/dbraw/zinc/36/33/35/1074363335.db2.gz	PFGZKMJIPKEMCL-CQSZACIVSA-N	1	1	407.330	1.156	20	0		HDADMO
C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](O)COc1ccc(Br)cc1	ZINC000674462205	1074363340	/nfs/dbraw/zinc/36/33/40/1074363340.db2.gz	PFGZKMJIPKEMCL-CQSZACIVSA-N	1	1	407.330	1.156	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O	ZINC000674469662	1074369106	/nfs/dbraw/zinc/36/91/06/1074369106.db2.gz	JCAJAYKDEJOQKG-WMLDXEAASA-N	1	1	422.913	1.534	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O	ZINC000674469662	1074369114	/nfs/dbraw/zinc/36/91/14/1074369114.db2.gz	JCAJAYKDEJOQKG-WMLDXEAASA-N	1	1	422.913	1.534	20	0		HDADMO
COC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000674481235	1074379761	/nfs/dbraw/zinc/37/97/61/1074379761.db2.gz	VJOJPWRHIZZSHW-GOSISDBHSA-N	1	1	416.522	1.995	20	0		HDADMO
Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1C1CCOCC1	ZINC001128735652	1074410628	/nfs/dbraw/zinc/41/06/28/1074410628.db2.gz	GGTMBFUPFUEHKB-ZNXRZULTSA-N	1	1	403.527	1.356	20	0		HDADMO
C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674514130	1074411083	/nfs/dbraw/zinc/41/10/83/1074411083.db2.gz	DIKGYCVTFHDYSV-SJLPKXTDSA-N	1	1	409.552	1.364	20	0		HDADMO
C[C@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674514713	1074412390	/nfs/dbraw/zinc/41/23/90/1074412390.db2.gz	WAFCSOGVHAKDFT-PKOBYXMFSA-N	1	1	423.579	1.754	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)C1	ZINC000674516781	1074419178	/nfs/dbraw/zinc/41/91/78/1074419178.db2.gz	WAESGNRGSZNZTE-JKSUJKDBSA-N	1	1	405.495	1.284	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1=O	ZINC000674606645	1074476814	/nfs/dbraw/zinc/47/68/14/1074476814.db2.gz	KCGGDFQINWCDGQ-CECAUBDESA-N	1	1	414.506	1.021	20	0		HDADMO
CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1	ZINC000674621850	1074482299	/nfs/dbraw/zinc/48/22/99/1074482299.db2.gz	ZEOHEFKXCHXKGT-PMACEKPBSA-N	1	1	402.539	1.835	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NCC[NH+]1CCN(c3ccccc3)CC1)CC2	ZINC000674614793	1074485919	/nfs/dbraw/zinc/48/59/19/1074485919.db2.gz	KMBQOQHGDRODGI-UHFFFAOYSA-N	1	1	410.522	1.153	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1	ZINC000674614693	1074485941	/nfs/dbraw/zinc/48/59/41/1074485941.db2.gz	VDRQGHZTIOUHSH-QWRGUYRKSA-N	1	1	404.355	1.533	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC[C@H](C)[NH+]1CCN(c3ccccc3)CC1)CC2	ZINC000674615619	1074485950	/nfs/dbraw/zinc/48/59/50/1074485950.db2.gz	YJMZGAZYICKEFQ-SFHVURJKSA-N	1	1	424.549	1.542	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)[C@H](C)C1	ZINC000674630377	1074493748	/nfs/dbraw/zinc/49/37/48/1074493748.db2.gz	BLFKZMKPMDDATC-SJLPKXTDSA-N	1	1	405.543	1.468	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2ccc3c(c2)OCO3)C1	ZINC000509234073	1074508892	/nfs/dbraw/zinc/50/88/92/1074508892.db2.gz	MANKZNDALZOSEK-HNNXBMFYSA-N	1	1	417.487	1.913	20	0		HDADMO
Cc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c(N2CCOCC2)c1	ZINC000674703710	1074529543	/nfs/dbraw/zinc/52/95/43/1074529543.db2.gz	PFVOKLAVVCLRAK-UHFFFAOYSA-N	1	1	403.571	1.657	20	0		HDADMO
Cc1cnc([C@@H](C)NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1	ZINC000674712268	1074531662	/nfs/dbraw/zinc/53/16/62/1074531662.db2.gz	OADOZDMRJBEUCK-MRXNPFEDSA-N	1	1	407.584	1.646	20	0		HDADMO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1	ZINC000674777571	1074552887	/nfs/dbraw/zinc/55/28/87/1074552887.db2.gz	IUJSHHNGJSZGKQ-KRWDZBQOSA-N	1	1	419.551	1.130	20	0		HDADMO
CN(c1ncc(I)cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000766076421	1074583721	/nfs/dbraw/zinc/58/37/21/1074583721.db2.gz	HKLGBINTHTYSDD-AWEZNQCLSA-N	1	1	401.296	1.686	20	0		HDADMO
CN(c1ncc(I)cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000766076421	1074583729	/nfs/dbraw/zinc/58/37/29/1074583729.db2.gz	HKLGBINTHTYSDD-AWEZNQCLSA-N	1	1	401.296	1.686	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3nnn(-c4ccn(C)n4)c3C)n2)c1C	ZINC000509238202	1074588963	/nfs/dbraw/zinc/58/89/63/1074588963.db2.gz	SOMPIKFOPNDLMD-UHFFFAOYSA-N	1	1	422.453	1.222	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](C(C)C)C3)cc2)CC1	ZINC000674894326	1074610552	/nfs/dbraw/zinc/61/05/52/1074610552.db2.gz	JTBQZAIASBHEIN-SFHVURJKSA-N	1	1	400.523	1.907	20	0		HDADMO
Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCCCO)CC2)c(=O)n(-c2ccccc2)n1C	ZINC000674914295	1074612422	/nfs/dbraw/zinc/61/24/22/1074612422.db2.gz	FGIMOEKSZGPHLM-KRWDZBQOSA-N	1	1	416.522	1.675	20	0		HDADMO
O=C(C[NH+]1CCC(OCCCO)CC1)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000674914196	1074612966	/nfs/dbraw/zinc/61/29/66/1074612966.db2.gz	QGQHJBSYVFTNIT-UHFFFAOYSA-N	1	1	403.523	1.402	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1	ZINC000674917455	1074614623	/nfs/dbraw/zinc/61/46/23/1074614623.db2.gz	JTQZAWZDSLLPTD-VXKWHMMOSA-N	1	1	416.566	1.914	20	0		HDADMO
C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(OCCCO)CC1	ZINC000674912491	1074617261	/nfs/dbraw/zinc/61/72/61/1074617261.db2.gz	FESLCBYHFYZONQ-LBPRGKRZSA-N	1	1	417.428	1.411	20	0		HDADMO
O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(CCO)CCN1CCOCC1	ZINC000485474964	1074621300	/nfs/dbraw/zinc/62/13/00/1074621300.db2.gz	BHSTZEIASMPLFS-FRIKZZABSA-N	1	1	416.566	1.518	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1	ZINC000674921353	1074622394	/nfs/dbraw/zinc/62/23/94/1074622394.db2.gz	FFJUEKDMXRYACW-UHFFFAOYSA-N	1	1	420.517	1.954	20	0		HDADMO
C[C@H](CNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+]1CCN(c2ccccc2)CC1	ZINC000674917003	1074627445	/nfs/dbraw/zinc/62/74/45/1074627445.db2.gz	SYYKAPPOLRZEMG-HMXCVIKNSA-N	1	1	402.539	1.787	20	0		HDADMO
Cc1c(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674948381	1074635391	/nfs/dbraw/zinc/63/53/91/1074635391.db2.gz	TZBSFHGGHQXJMD-WOJBJXKFSA-N	1	1	411.506	1.584	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1	ZINC000674971722	1074654824	/nfs/dbraw/zinc/65/48/24/1074654824.db2.gz	HOOHROQKZZYFAH-FQEVSTJZSA-N	1	1	415.582	1.545	20	0		HDADMO
CC(C)c1cc(NC(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)no1	ZINC000442507010	1074657539	/nfs/dbraw/zinc/65/75/39/1074657539.db2.gz	IHVRHJVHMOVKPR-OAQYLSRUSA-N	1	1	400.479	1.832	20	0		HDADMO
O=C(Cc1cccc(O)c1)NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1	ZINC000509303109	1074663322	/nfs/dbraw/zinc/66/33/22/1074663322.db2.gz	HCIINAOBWZZDSY-OAQYLSRUSA-N	1	1	421.497	1.843	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1	ZINC000674997675	1074675180	/nfs/dbraw/zinc/67/51/80/1074675180.db2.gz	PFLBRPCSYXFPKV-OALUTQOASA-N	1	1	401.555	1.695	20	0		HDADMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](C)NC(=O)C3CCCC3)cc2)CC1	ZINC000509304006	1074681958	/nfs/dbraw/zinc/68/19/58/1074681958.db2.gz	JDEQGIVGXSDCBT-INIZCTEOSA-N	1	1	400.523	1.984	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c(OC)c1	ZINC000467678372	1074684668	/nfs/dbraw/zinc/68/46/68/1074684668.db2.gz	YWMLZMPDZRXHOX-KGLIPLIRSA-N	1	1	405.451	1.124	20	0		HDADMO
COc1nccc(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)n1	ZINC001128930234	1074692729	/nfs/dbraw/zinc/69/27/29/1074692729.db2.gz	FGZYHECYEVRWKM-UHFFFAOYSA-N	1	1	407.272	1.647	20	0		HDADMO
CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1	ZINC001128932509	1074694131	/nfs/dbraw/zinc/69/41/31/1074694131.db2.gz	URNFXBMYKPZAEK-CQSZACIVSA-N	1	1	424.343	1.793	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000675086184	1074702140	/nfs/dbraw/zinc/70/21/40/1074702140.db2.gz	PQDZUKVVFJQUSS-AHIWAGSCSA-N	1	1	412.893	1.009	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000675086184	1074702151	/nfs/dbraw/zinc/70/21/51/1074702151.db2.gz	PQDZUKVVFJQUSS-AHIWAGSCSA-N	1	1	412.893	1.009	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CCN2C1=O	ZINC000675087400	1074704763	/nfs/dbraw/zinc/70/47/63/1074704763.db2.gz	OTDBKSBEWYNFSV-GOSISDBHSA-N	1	1	401.511	1.705	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)s1	ZINC000532435422	1074709133	/nfs/dbraw/zinc/70/91/33/1074709133.db2.gz	OUMDTVURMMZZFV-ZIAGYGMSSA-N	1	1	411.528	1.799	20	0		HDADMO
CC(C)n1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000507785408	1074714333	/nfs/dbraw/zinc/71/43/33/1074714333.db2.gz	VXNUSFOWTPWUPM-FQEVSTJZSA-N	1	1	424.549	1.821	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nn1[C@@H](C)C1CC1	ZINC000544203237	1074715493	/nfs/dbraw/zinc/71/54/93/1074715493.db2.gz	HYKBCKKOHLYBET-PKOBYXMFSA-N	1	1	416.570	1.730	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1	ZINC000675101830	1074718120	/nfs/dbraw/zinc/71/81/20/1074718120.db2.gz	APXAGMSDHTZARH-JKSUJKDBSA-N	1	1	406.962	1.781	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1	ZINC000675101830	1074718129	/nfs/dbraw/zinc/71/81/29/1074718129.db2.gz	APXAGMSDHTZARH-JKSUJKDBSA-N	1	1	406.962	1.781	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C[N@H+]1Cc1ccccc1	ZINC000675102627	1074718830	/nfs/dbraw/zinc/71/88/30/1074718830.db2.gz	KILNMTZCXQUCGP-RHSMWYFYSA-N	1	1	420.510	1.935	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)CCN2C1=O	ZINC000675106760	1074721513	/nfs/dbraw/zinc/72/15/13/1074721513.db2.gz	NMHKOPCIGRYXHM-SJLPKXTDSA-N	1	1	401.511	1.575	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CCN2C1=O	ZINC000675108143	1074723748	/nfs/dbraw/zinc/72/37/48/1074723748.db2.gz	MSDAIWOWBFUMQF-QRQLOZEOSA-N	1	1	413.522	1.717	20	0		HDADMO
O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccn(Cc2ccncc2)n1	ZINC000504612032	1074725537	/nfs/dbraw/zinc/72/55/37/1074725537.db2.gz	FSAUHKAWCCZOIO-UHFFFAOYSA-N	1	1	418.501	1.830	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)nn1-c1ccc(F)cc1F	ZINC000560152148	1074729471	/nfs/dbraw/zinc/72/94/71/1074729471.db2.gz	RWLLLVNQEPOSQD-FQEVSTJZSA-N	1	1	403.433	1.952	20	0		HDADMO
O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccccc1CN1CCNC1=O	ZINC000543615385	1074735015	/nfs/dbraw/zinc/73/50/15/1074735015.db2.gz	ZSTXXUFEUBXGND-PMACEKPBSA-N	1	1	423.517	1.969	20	0		HDADMO
C[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)n1nnnc1C(C)(C)C	ZINC000543615263	1074737685	/nfs/dbraw/zinc/73/76/85/1074737685.db2.gz	VERYGNNHNNCEJK-INIZCTEOSA-N	1	1	400.531	1.255	20	0		HDADMO
COc1ccc(-c2cncc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)c2)cc1	ZINC000675141372	1074741235	/nfs/dbraw/zinc/74/12/35/1074741235.db2.gz	RAKMLMZPBAMFNN-OAQYLSRUSA-N	1	1	410.518	1.894	20	0		HDADMO
CN1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)ccn2)CC1	ZINC000543615070	1074742689	/nfs/dbraw/zinc/74/26/89/1074742689.db2.gz	POVANONJXHTACL-HXUWFJFHSA-N	1	1	408.506	1.777	20	0		HDADMO
CN1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)ccn2)CC1	ZINC000543615070	1074742696	/nfs/dbraw/zinc/74/26/96/1074742696.db2.gz	POVANONJXHTACL-HXUWFJFHSA-N	1	1	408.506	1.777	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2C)nn1-c1ccc(F)cc1F	ZINC000579158285	1074743491	/nfs/dbraw/zinc/74/34/91/1074743491.db2.gz	SLJIKYQXWBLXID-UHFFFAOYSA-N	1	1	416.432	2.499	20	0		HDADMO
Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675188285	1074752338	/nfs/dbraw/zinc/75/23/38/1074752338.db2.gz	JJKLZSFFYMNHMF-HKUYNNGSSA-N	1	1	408.506	1.447	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1	ZINC000675221279	1074763258	/nfs/dbraw/zinc/76/32/58/1074763258.db2.gz	WSPGASAOMMDXLV-INIZCTEOSA-N	1	1	413.522	1.851	20	0		HDADMO
Cn1nc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c2ccccc21	ZINC000429323928	1074767630	/nfs/dbraw/zinc/76/76/30/1074767630.db2.gz	CABQWDHMXPJURH-SFHVURJKSA-N	1	1	406.486	1.954	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429326485	1074777257	/nfs/dbraw/zinc/77/72/57/1074777257.db2.gz	IHVJOAZTWVEUCU-MSOLQXFVSA-N	1	1	401.555	1.896	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)nn1-c1ccc(F)cc1F	ZINC000573244516	1074778722	/nfs/dbraw/zinc/77/87/22/1074778722.db2.gz	JFLYTMDYRAXHAM-RDJZCZTQSA-N	1	1	403.433	2.140	20	0		HDADMO
CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccn1	ZINC000429329332	1074780948	/nfs/dbraw/zinc/78/09/48/1074780948.db2.gz	QHSYPANAJUJBNY-HNNXBMFYSA-N	1	1	413.478	1.764	20	0		HDADMO
CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccn1	ZINC000429329332	1074780953	/nfs/dbraw/zinc/78/09/53/1074780953.db2.gz	QHSYPANAJUJBNY-HNNXBMFYSA-N	1	1	413.478	1.764	20	0		HDADMO
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000675281228	1074786141	/nfs/dbraw/zinc/78/61/41/1074786141.db2.gz	PSYWFWDDYCYXRQ-ZDUSSCGKSA-N	1	1	402.520	1.751	20	0		HDADMO
COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)c1	ZINC000675285134	1074787822	/nfs/dbraw/zinc/78/78/22/1074787822.db2.gz	KZHMZAQGFLSMME-LBPRGKRZSA-N	1	1	423.491	1.649	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675326776	1074807834	/nfs/dbraw/zinc/80/78/34/1074807834.db2.gz	ZXKICLDEIXIXQK-DQYPLSBCSA-N	1	1	404.898	1.160	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@@H]21	ZINC000766108692	1074812850	/nfs/dbraw/zinc/81/28/50/1074812850.db2.gz	KWERAVGLVFJLBA-ABAIWWIYSA-N	1	1	416.341	1.653	20	0		HDADMO
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1	ZINC000675365119	1074814374	/nfs/dbraw/zinc/81/43/74/1074814374.db2.gz	WBWISPWAXBHLGF-IBGZPJMESA-N	1	1	402.539	1.372	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@@H]21	ZINC000766106925	1074815106	/nfs/dbraw/zinc/81/51/06/1074815106.db2.gz	GASTWDMPHAKOON-ZRNYENFQSA-N	1	1	401.507	1.701	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@@H]21	ZINC000766109887	1074817004	/nfs/dbraw/zinc/81/70/04/1074817004.db2.gz	QPSWFAUIMJLONV-DOMZBBRYSA-N	1	1	405.300	1.981	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2CN(C)C)C3)CC[N@@H+]1C	ZINC001005592717	1074817521	/nfs/dbraw/zinc/81/75/21/1074817521.db2.gz	POIPOCPVXYUKQE-ZRSRNVLSSA-N	1	1	402.539	1.933	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2CN(C)C)C3)CC[N@H+]1C	ZINC001005592717	1074817535	/nfs/dbraw/zinc/81/75/35/1074817535.db2.gz	POIPOCPVXYUKQE-ZRSRNVLSSA-N	1	1	402.539	1.933	20	0		HDADMO
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429333370	1074819671	/nfs/dbraw/zinc/81/96/71/1074819671.db2.gz	YTAXDWBRRSJGAZ-QZTJIDSGSA-N	1	1	411.568	1.358	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3CC(C)C)CC2)no1	ZINC000439202718	1075110238	/nfs/dbraw/zinc/11/02/38/1075110238.db2.gz	FYYDMHIPJLLWQE-SFHVURJKSA-N	1	1	420.558	1.759	20	0		HDADMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C1	ZINC000446746970	1075117696	/nfs/dbraw/zinc/11/76/96/1075117696.db2.gz	YBAINRYOVUNMOF-OAHLLOKOSA-N	1	1	402.474	1.844	20	0		HDADMO
O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000675379811	1075119207	/nfs/dbraw/zinc/11/92/07/1075119207.db2.gz	PBOTVHODYOIKDV-IIYDPXPESA-N	1	1	422.888	1.444	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(C)C	ZINC000675379453	1075119510	/nfs/dbraw/zinc/11/95/10/1075119510.db2.gz	DCBRFXGUKMPWBP-INIZCTEOSA-N	1	1	412.893	1.547	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1	ZINC000675405296	1075129299	/nfs/dbraw/zinc/12/92/99/1075129299.db2.gz	YYCMOZZWKGWBCX-PKOBYXMFSA-N	1	1	413.522	1.784	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)no1	ZINC000467034144	1075134812	/nfs/dbraw/zinc/13/48/12/1075134812.db2.gz	RBMGLMZBHGLKCG-PBHICJAKSA-N	1	1	402.520	2.434	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000444518849	1075143313	/nfs/dbraw/zinc/14/33/13/1075143313.db2.gz	FDZREZCMITXMIY-LJQANCHMSA-N	1	1	413.522	1.981	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000670525297	1075147183	/nfs/dbraw/zinc/14/71/83/1075147183.db2.gz	VBKHYLPJIFHVHV-ROUUACIJSA-N	1	1	411.506	1.713	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccco1	ZINC000670526042	1075149650	/nfs/dbraw/zinc/14/96/50/1075149650.db2.gz	SGPVLYMSHCYIKM-WMZOPIPTSA-N	1	1	407.417	1.877	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000429347680	1075153465	/nfs/dbraw/zinc/15/34/65/1075153465.db2.gz	GKYJHDROUBYHKA-NSHDSACASA-N	1	1	412.512	1.123	20	0		HDADMO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000429347680	1075153467	/nfs/dbraw/zinc/15/34/67/1075153467.db2.gz	GKYJHDROUBYHKA-NSHDSACASA-N	1	1	412.512	1.123	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)cc(OC)c1	ZINC000429348232	1075160762	/nfs/dbraw/zinc/16/07/62/1075160762.db2.gz	ZJHKGIMNXUKOEQ-IAGOWNOFSA-N	1	1	418.538	1.977	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)cc(OC)c1	ZINC000429348232	1075160763	/nfs/dbraw/zinc/16/07/63/1075160763.db2.gz	ZJHKGIMNXUKOEQ-IAGOWNOFSA-N	1	1	418.538	1.977	20	0		HDADMO
COC[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000675477460	1075168276	/nfs/dbraw/zinc/16/82/76/1075168276.db2.gz	ZBWJIHABTQHOCY-GOSISDBHSA-N	1	1	409.914	1.467	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000144355141	1075170078	/nfs/dbraw/zinc/17/00/78/1075170078.db2.gz	GCUBYJBKPQFECW-QWHCGFSZSA-N	1	1	413.421	1.810	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000144355141	1075170080	/nfs/dbraw/zinc/17/00/80/1075170080.db2.gz	GCUBYJBKPQFECW-QWHCGFSZSA-N	1	1	413.421	1.810	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1	ZINC000490501261	1075171187	/nfs/dbraw/zinc/17/11/87/1075171187.db2.gz	RIUHKLPGOAZXAM-CQSZACIVSA-N	1	1	405.886	1.691	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)C1	ZINC000540741130	1075171813	/nfs/dbraw/zinc/17/18/13/1075171813.db2.gz	IRZIZHMLZJTCBD-CQSZACIVSA-N	1	1	405.886	1.610	20	0		HDADMO
O=C(CN1CCC[N@@H+](C[C@H]2CCCO2)CC1)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000675497062	1075177364	/nfs/dbraw/zinc/17/73/64/1075177364.db2.gz	VDCRTFDCNIDQRO-MRXNPFEDSA-N	1	1	419.917	1.441	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(CNC(=O)Cn2c[nH+]c3c2CCCC3)cc1	ZINC000543634355	1075185015	/nfs/dbraw/zinc/18/50/15/1075185015.db2.gz	WNGXILOISUXSON-UHFFFAOYSA-N	1	1	406.508	1.003	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)cc2)CC1	ZINC000675531825	1075192520	/nfs/dbraw/zinc/19/25/20/1075192520.db2.gz	OOHPRWPBLXKUNS-RBUKOAKNSA-N	1	1	413.522	1.739	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCN1CCCS1(=O)=O	ZINC000675534049	1075193108	/nfs/dbraw/zinc/19/31/08/1075193108.db2.gz	ZRMIDYYVKYFWCW-RUYXUALKSA-N	1	1	422.595	1.868	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCOc3ccc(C(F)(F)F)cn3)CC2)C1	ZINC000675542712	1075198777	/nfs/dbraw/zinc/19/87/77/1075198777.db2.gz	BSYJNWBYQBBPGA-MRXNPFEDSA-N	1	1	415.460	1.901	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1	ZINC000507593447	1075204885	/nfs/dbraw/zinc/20/48/85/1075204885.db2.gz	MUVYBXKUAONPGI-JOCHJYFZSA-N	1	1	411.506	1.593	20	0		HDADMO
CC(C)[N@@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000675570803	1075208713	/nfs/dbraw/zinc/20/87/13/1075208713.db2.gz	CTZAAKVUWLXCPB-HZPDHXFCSA-N	1	1	413.540	1.126	20	0		HDADMO
CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675577135	1075210074	/nfs/dbraw/zinc/21/00/74/1075210074.db2.gz	XDWVVQPGINOLOW-FCHUYYIVSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000675577135	1075210077	/nfs/dbraw/zinc/21/00/77/1075210077.db2.gz	XDWVVQPGINOLOW-FCHUYYIVSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000675577135	1075210085	/nfs/dbraw/zinc/21/00/85/1075210085.db2.gz	XDWVVQPGINOLOW-FCHUYYIVSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675577135	1075210088	/nfs/dbraw/zinc/21/00/88/1075210088.db2.gz	XDWVVQPGINOLOW-FCHUYYIVSA-N	1	1	415.582	1.309	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675580604	1075212269	/nfs/dbraw/zinc/21/22/69/1075212269.db2.gz	KMQVAOKHNFIJPZ-SVFBPWRDSA-N	1	1	419.614	1.978	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[NH+]1CCOCC1	ZINC000675585726	1075215505	/nfs/dbraw/zinc/21/55/05/1075215505.db2.gz	NYKJTHVPNVAFMU-RBUKOAKNSA-N	1	1	421.542	1.254	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[N@@H+]1CCc2sccc2C1	ZINC000675586580	1075217319	/nfs/dbraw/zinc/21/73/19/1075217319.db2.gz	CBJXFXGAXKOCFH-PBHICJAKSA-N	1	1	417.535	1.625	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[N@H+]1CCc2sccc2C1	ZINC000675586580	1075217324	/nfs/dbraw/zinc/21/73/24/1075217324.db2.gz	CBJXFXGAXKOCFH-PBHICJAKSA-N	1	1	417.535	1.625	20	0		HDADMO
CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675606092	1075222548	/nfs/dbraw/zinc/22/25/48/1075222548.db2.gz	VACWVDOOIMCINU-JTHBVZDNSA-N	1	1	414.594	1.811	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc21	ZINC000675607417	1075223309	/nfs/dbraw/zinc/22/33/09/1075223309.db2.gz	CSRAVJMTRHYEOT-SFHVURJKSA-N	1	1	401.511	1.954	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)no1	ZINC000557023241	1075226193	/nfs/dbraw/zinc/22/61/93/1075226193.db2.gz	RQPIPSYHGGKDLZ-WMLDXEAASA-N	1	1	418.519	2.249	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)CC2)CC1	ZINC000543359956	1075230703	/nfs/dbraw/zinc/23/07/03/1075230703.db2.gz	CZFDJLJBGDFSQM-UHFFFAOYSA-N	1	1	405.547	1.831	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)CC1	ZINC000430001094	1075231698	/nfs/dbraw/zinc/23/16/98/1075231698.db2.gz	QMTXKUCHUVGBFV-UHFFFAOYSA-N	1	1	414.554	2.479	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+](CC)C2CC2)c1	ZINC000509354367	1075232204	/nfs/dbraw/zinc/23/22/04/1075232204.db2.gz	JBVJJJIYODZYDQ-UHFFFAOYSA-N	1	1	403.570	1.480	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1	ZINC000445160419	1075234662	/nfs/dbraw/zinc/23/46/62/1075234662.db2.gz	PNUONUBFZDHJIE-VQIMIIECSA-N	1	1	401.511	2.369	20	0		HDADMO
O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000533459946	1075235421	/nfs/dbraw/zinc/23/54/21/1075235421.db2.gz	NYFHZWWISRBYCI-MJGOQNOKSA-N	1	1	408.506	1.740	20	0		HDADMO
CC[N@@H+]1CCc2nc(NC(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)sc2C1	ZINC000498076931	1075237667	/nfs/dbraw/zinc/23/76/67/1075237667.db2.gz	WRJNRAJERZMGEF-UHFFFAOYSA-N	1	1	415.479	1.855	20	0		HDADMO
CC[N@H+]1CCc2nc(NC(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)sc2C1	ZINC000498076931	1075237670	/nfs/dbraw/zinc/23/76/70/1075237670.db2.gz	WRJNRAJERZMGEF-UHFFFAOYSA-N	1	1	415.479	1.855	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1	ZINC000509357690	1075241113	/nfs/dbraw/zinc/24/11/13/1075241113.db2.gz	UEURVASIQGDDKP-OAHLLOKOSA-N	1	1	405.586	1.726	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000804220228	1075241934	/nfs/dbraw/zinc/24/19/34/1075241934.db2.gz	QLIMSQJFWRQXBV-INIZCTEOSA-N	1	1	412.575	1.986	20	0		HDADMO
CS(=O)(=O)NC1(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1	ZINC000675709335	1075259238	/nfs/dbraw/zinc/25/92/38/1075259238.db2.gz	ADVIOIDRCSYLKG-IRXDYDNUSA-N	1	1	416.588	1.181	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H](Nc2ccccc2)C1	ZINC000675714222	1075259579	/nfs/dbraw/zinc/25/95/79/1075259579.db2.gz	ZHRGJVVAHCOGJI-NHCUHLMSSA-N	1	1	401.555	1.679	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000804221144	1075262967	/nfs/dbraw/zinc/26/29/67/1075262967.db2.gz	RPCQHYQHGRQZFD-ULQDDVLXSA-N	1	1	412.575	1.985	20	0		HDADMO
C[C@H](CNC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1)CN1CC[NH+](C)CC1	ZINC000429374044	1075263364	/nfs/dbraw/zinc/26/33/64/1075263364.db2.gz	UIUIFEPCARFQMB-IAGOWNOFSA-N	1	1	400.527	1.904	20	0		HDADMO
O=C1CCC[C@H](CNc2cc(NC[C@H]3CCCC(=O)N3)[nH+]c(-c3ccccc3)n2)N1	ZINC000553562991	1075269079	/nfs/dbraw/zinc/26/90/79/1075269079.db2.gz	BMLMTXNPEKSRER-IAGOWNOFSA-N	1	1	408.506	2.305	20	0		HDADMO
CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000429377894	1075270404	/nfs/dbraw/zinc/27/04/04/1075270404.db2.gz	FYEIOVNKSABOEG-QAETUUGQSA-N	1	1	402.557	1.320	20	0		HDADMO
CCCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000429377894	1075270409	/nfs/dbraw/zinc/27/04/09/1075270409.db2.gz	FYEIOVNKSABOEG-QAETUUGQSA-N	1	1	402.557	1.320	20	0		HDADMO
O=C(Cn1c[nH+]c2c1CCCC2)N1CCN(CC(=O)N2CCCc3ccccc32)CC1	ZINC000543645331	1075271902	/nfs/dbraw/zinc/27/19/02/1075271902.db2.gz	DUQSZFZEYIVNAS-UHFFFAOYSA-N	1	1	421.545	1.886	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1	ZINC000462273221	1075272039	/nfs/dbraw/zinc/27/20/39/1075272039.db2.gz	QQYQFMHXZLJRFE-ZFWWWQNUSA-N	1	1	403.508	2.286	20	0		HDADMO
C[C@@H]1CN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC[N@@H+](Cc2ccccc2)C1	ZINC001129068633	1075274831	/nfs/dbraw/zinc/27/48/31/1075274831.db2.gz	PPZWFYOCMQPNBC-INIZCTEOSA-N	1	1	417.535	1.111	20	0		HDADMO
O=S(=O)(NCC1CC1)c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc1	ZINC000541933434	1075278674	/nfs/dbraw/zinc/27/86/74/1075278674.db2.gz	LVZXEVMBSIUXGR-LJQANCHMSA-N	1	1	416.547	1.949	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@H](CC4CC4)C3)n2)c1C	ZINC000489092154	1075278728	/nfs/dbraw/zinc/27/87/28/1075278728.db2.gz	DZJIYJNCAYFTAA-MRXNPFEDSA-N	1	1	412.494	1.934	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cn3cnc4c3CCCC4)c2)C1	ZINC000543647403	1075280299	/nfs/dbraw/zinc/28/02/99/1075280299.db2.gz	WARFYLWIGCJQBD-LJQANCHMSA-N	1	1	409.534	1.776	20	0		HDADMO
O=S1(=O)CCC[C@@H]1CNc1cc(NC[C@@H]2CCCS2(=O)=O)[nH+]c2cnccc12	ZINC000553150186	1075287279	/nfs/dbraw/zinc/28/72/79/1075287279.db2.gz	YUHTWERAZGPZBF-KGLIPLIRSA-N	1	1	424.548	1.608	20	0		HDADMO
COCCn1ncc2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc21	ZINC000675883319	1075288734	/nfs/dbraw/zinc/28/87/34/1075288734.db2.gz	LVRMQACULNGMCL-SFHVURJKSA-N	1	1	414.510	1.453	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H]3CCC[C@H](C(N)=O)C3)cc2)CC1	ZINC000675883552	1075288833	/nfs/dbraw/zinc/28/88/33/1075288833.db2.gz	OYQSUJVZOSQXIJ-WMZOPIPTSA-N	1	1	401.511	1.630	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C[N@H+]1Cc1ccccc1	ZINC000466706662	1075298345	/nfs/dbraw/zinc/29/83/45/1075298345.db2.gz	QZXZWRASICWPPB-QAPCUYQASA-N	1	1	409.490	1.501	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)cc2)CC1	ZINC000675940272	1075301707	/nfs/dbraw/zinc/30/17/07/1075301707.db2.gz	JRRJUWPWLREEOU-SFHVURJKSA-N	1	1	424.505	1.320	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CCN3C(=O)NC4(CCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731292865	1075303392	/nfs/dbraw/zinc/30/33/92/1075303392.db2.gz	HQCXWXMBOPVPGZ-INIZCTEOSA-N	1	1	415.494	1.860	20	0		HDADMO
OC[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccccc1Br	ZINC000428668242	1075304346	/nfs/dbraw/zinc/30/43/46/1075304346.db2.gz	YWQYKQJEWIXYSF-CQSZACIVSA-N	1	1	407.312	2.339	20	0		HDADMO
OC[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1cccc(Br)c1	ZINC000428685431	1075304501	/nfs/dbraw/zinc/30/45/01/1075304501.db2.gz	XMWFAMXYDXZJJG-OAHLLOKOSA-N	1	1	407.312	2.339	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)nc(C)[nH+]1	ZINC000731295557	1075305527	/nfs/dbraw/zinc/30/55/27/1075305527.db2.gz	ITJXQBZSQPRNER-INIZCTEOSA-N	1	1	417.491	1.103	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)c3ccc(S(=O)(=O)N(C)C)o3)C2)nc(C)[nH+]1	ZINC000731296120	1075305558	/nfs/dbraw/zinc/30/55/58/1075305558.db2.gz	GGFJWHAARGAXAP-CQSZACIVSA-N	1	1	408.480	1.763	20	0		HDADMO
CNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)c1	ZINC000731296059	1075305613	/nfs/dbraw/zinc/30/56/13/1075305613.db2.gz	DFURXGGMUUIEEP-INIZCTEOSA-N	1	1	404.492	1.827	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)nc(C)[nH+]1	ZINC000731296988	1075305976	/nfs/dbraw/zinc/30/59/76/1075305976.db2.gz	ZNBZXNRQNAXFNG-MGPUTAFESA-N	1	1	401.467	1.326	20	0		HDADMO
CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1	ZINC000731296787	1075306016	/nfs/dbraw/zinc/30/60/16/1075306016.db2.gz	NERSHSVWQYIGKC-DLBZAZTESA-N	1	1	410.540	1.667	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)nc(C)[nH+]1	ZINC000731296989	1075306264	/nfs/dbraw/zinc/30/62/64/1075306264.db2.gz	ZNBZXNRQNAXFNG-QRWLVFNGSA-N	1	1	401.467	1.326	20	0		HDADMO
COC1CC[NH+](CCN[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1	ZINC000675929643	1075306427	/nfs/dbraw/zinc/30/64/27/1075306427.db2.gz	YCBKXSFVRWHJCR-QGZVFWFLSA-N	1	1	411.568	1.469	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@H](C)O	ZINC000479139454	1075308769	/nfs/dbraw/zinc/30/87/69/1075308769.db2.gz	AMNCLHXYSOSDOS-KBPBESRZSA-N	1	1	416.349	1.956	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@H+]1C[C@H](C)O	ZINC000479139454	1075308780	/nfs/dbraw/zinc/30/87/80/1075308780.db2.gz	AMNCLHXYSOSDOS-KBPBESRZSA-N	1	1	416.349	1.956	20	0		HDADMO
O[C@@H](CNc1cc(NC[C@@H](O)[C@@H]2CCOC2)[nH+]c(-c2ccccc2)n1)[C@H]1CCOC1	ZINC000553103402	1075310381	/nfs/dbraw/zinc/31/03/81/1075310381.db2.gz	KSLXGOHGANZCQN-QGFMHUBQSA-N	1	1	414.506	1.762	20	0		HDADMO
O[C@@H](CNc1cc(NC[C@@H](O)[C@@H]2CCOC2)nc(-c2ccccc2)[nH+]1)[C@H]1CCOC1	ZINC000553103402	1075310396	/nfs/dbraw/zinc/31/03/96/1075310396.db2.gz	KSLXGOHGANZCQN-QGFMHUBQSA-N	1	1	414.506	1.762	20	0		HDADMO
CC(C)CN(C(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000675972506	1075313049	/nfs/dbraw/zinc/31/30/49/1075313049.db2.gz	ONWAMVGTFHUWOU-QGZVFWFLSA-N	1	1	409.552	1.665	20	0		HDADMO
CCOc1cc(C[NH+]2CCC(NC(=O)COC)CC2)nc2nc(C(F)(F)F)nn21	ZINC000675954921	1075313990	/nfs/dbraw/zinc/31/39/90/1075313990.db2.gz	XFQWBIRHDNNPSD-UHFFFAOYSA-N	1	1	416.404	1.269	20	0		HDADMO
CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000731350927	1075314289	/nfs/dbraw/zinc/31/42/89/1075314289.db2.gz	GHFOTFJRAXKIOT-GOSISDBHSA-N	1	1	408.543	1.258	20	0		HDADMO
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000731350663	1075314688	/nfs/dbraw/zinc/31/46/88/1075314688.db2.gz	BMSJVZSUOOUEQY-LJQANCHMSA-N	1	1	424.586	1.938	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCCNC(=O)OC(C)(C)C)CC2)CC1	ZINC000731351441	1075315404	/nfs/dbraw/zinc/31/54/04/1075315404.db2.gz	QIEYUMPPFWBEBU-UHFFFAOYSA-N	1	1	410.559	1.694	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCN(Cc2cccc(F)c2)CC1	ZINC000675992470	1075316076	/nfs/dbraw/zinc/31/60/76/1075316076.db2.gz	FQQSJAGJTSUBHV-NRFANRHFSA-N	1	1	419.545	1.059	20	0		HDADMO
Cc1ccc(Nc2cccc(C(=O)NCCCCN3CC[NH+](CCO)CC3)c2)nn1	ZINC000536181117	1075317735	/nfs/dbraw/zinc/31/77/35/1075317735.db2.gz	RINYZJOGQJRYNN-UHFFFAOYSA-N	1	1	412.538	1.649	20	0		HDADMO
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(n2cccn2)CC1	ZINC000731355743	1075318801	/nfs/dbraw/zinc/31/88/01/1075318801.db2.gz	VHMNVJKFPGABGI-FQEVSTJZSA-N	1	1	409.490	1.902	20	0		HDADMO
Cn1ccnc1C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000675996589	1075320594	/nfs/dbraw/zinc/32/05/94/1075320594.db2.gz	GRKQKMVLJZVGKW-WOJBJXKFSA-N	1	1	424.549	1.652	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1	ZINC000731401005	1075330052	/nfs/dbraw/zinc/33/00/52/1075330052.db2.gz	IUJLQAOWHSFRMX-RCCFBDPRSA-N	1	1	423.535	1.624	20	0		HDADMO
Cc1noc(C[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c2ccccc2)n1	ZINC000429390155	1075333394	/nfs/dbraw/zinc/33/33/94/1075333394.db2.gz	YEYLJKKDQKMXFF-FXAWDEMLSA-N	1	1	403.483	1.044	20	0		HDADMO
COCCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)CC1	ZINC000676039047	1075337594	/nfs/dbraw/zinc/33/75/94/1075337594.db2.gz	ZYLJZFSISFWMLS-UHFFFAOYSA-N	1	1	414.510	1.502	20	0		HDADMO
O=C(Cn1c[nH+]c2c1CCCC2)N1CCN(Cc2nnnn2-c2ccccc2)CC1	ZINC000543654638	1075340442	/nfs/dbraw/zinc/34/04/42/1075340442.db2.gz	XIGCVZLSDJWMPG-UHFFFAOYSA-N	1	1	406.494	1.082	20	0		HDADMO
Cc1c(C(=O)N2CCS[C@H]3COCC[C@@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676072614	1075343040	/nfs/dbraw/zinc/34/30/40/1075343040.db2.gz	NFTFUZBDKVTPEG-OALUTQOASA-N	1	1	413.547	1.910	20	0		HDADMO
C[NH+](C)C1(CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)Cc2ccccc2C1	ZINC000676096956	1075358289	/nfs/dbraw/zinc/35/82/89/1075358289.db2.gz	JAIQMWBLZQAPLI-UHFFFAOYSA-N	1	1	404.474	1.421	20	0		HDADMO
COC(=O)N1CCC(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1	ZINC000731472760	1075359226	/nfs/dbraw/zinc/35/92/26/1075359226.db2.gz	KEJMSLKEONHOFR-UHFFFAOYSA-N	1	1	412.494	1.524	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C	ZINC000804086921	1075368050	/nfs/dbraw/zinc/36/80/50/1075368050.db2.gz	BJZXGOTYQMMISN-MWDXBVQZSA-N	1	1	410.559	1.880	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C	ZINC000804086921	1075368053	/nfs/dbraw/zinc/36/80/53/1075368053.db2.gz	BJZXGOTYQMMISN-MWDXBVQZSA-N	1	1	410.559	1.880	20	0		HDADMO
O=C(Nc1cnn(-c2ccncc2)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000676088982	1075370547	/nfs/dbraw/zinc/37/05/47/1075370547.db2.gz	UDMNEADTQCYIOV-UHFFFAOYSA-N	1	1	404.474	1.987	20	0		HDADMO
CCc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)N(C)C)cc1	ZINC000676089237	1075373287	/nfs/dbraw/zinc/37/32/87/1075373287.db2.gz	GUAHAMHFRBHHGG-IBGZPJMESA-N	1	1	400.527	1.365	20	0		HDADMO
COc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1	ZINC001006062972	1075376143	/nfs/dbraw/zinc/37/61/43/1075376143.db2.gz	CHZLGZDSMNZVBK-TVFZMDHNSA-N	1	1	401.507	1.205	20	0		HDADMO
COc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1	ZINC001006062972	1075376151	/nfs/dbraw/zinc/37/61/51/1075376151.db2.gz	CHZLGZDSMNZVBK-TVFZMDHNSA-N	1	1	401.507	1.205	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804087986	1075387111	/nfs/dbraw/zinc/38/71/11/1075387111.db2.gz	MQYHYNOFSJYSNL-ZACQAIPSSA-N	1	1	410.559	1.787	20	0		HDADMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804091324	1075389492	/nfs/dbraw/zinc/38/94/92/1075389492.db2.gz	YJQOESXEAHQRIP-SJORKVTESA-N	1	1	421.542	1.992	20	0		HDADMO
CS(=O)(=O)NCCNC(=S)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1	ZINC000731570429	1075390782	/nfs/dbraw/zinc/39/07/82/1075390782.db2.gz	SIBAUIPWQJMAKU-INIZCTEOSA-N	1	1	419.016	1.708	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C	ZINC000804093948	1075392606	/nfs/dbraw/zinc/39/26/06/1075392606.db2.gz	QUIIIXCKTPPTHK-KBPBESRZSA-N	1	1	422.530	1.054	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1	ZINC000804094451	1075394253	/nfs/dbraw/zinc/39/42/53/1075394253.db2.gz	VQBWMVKDQAJYHH-HOTGVXAUSA-N	1	1	408.543	1.635	20	0		HDADMO
O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676151346	1075401641	/nfs/dbraw/zinc/40/16/41/1075401641.db2.gz	LFQBCLDYKWNBRQ-AZUAARDMSA-N	1	1	421.505	1.345	20	0		HDADMO
O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676153676	1075403637	/nfs/dbraw/zinc/40/36/37/1075403637.db2.gz	SJHBHRDHKVKCFX-RXVVDRJESA-N	1	1	410.518	1.958	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nn1	ZINC000551733094	1075423325	/nfs/dbraw/zinc/42/33/25/1075423325.db2.gz	RJBLQPPSFIFHGC-QZTJIDSGSA-N	1	1	409.490	1.937	20	0		HDADMO
Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NC2CC[NH+](CCN(C)C)CC2)c1	ZINC000543663376	1075425436	/nfs/dbraw/zinc/42/54/36/1075425436.db2.gz	MOSCOGISKIEFAU-UHFFFAOYSA-N	1	1	413.526	1.427	20	0		HDADMO
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000731655446	1075438706	/nfs/dbraw/zinc/43/87/06/1075438706.db2.gz	MPSLPYVTRUGLHW-HXUWFJFHSA-N	1	1	400.523	1.191	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1	ZINC000731657187	1075440342	/nfs/dbraw/zinc/44/03/42/1075440342.db2.gz	YQOKOOOEEZIUIT-KRWDZBQOSA-N	1	1	423.521	1.910	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676242074	1075443124	/nfs/dbraw/zinc/44/31/24/1075443124.db2.gz	OFXAKBZNHRPURZ-AEFFLSMTSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676242074	1075443129	/nfs/dbraw/zinc/44/31/29/1075443129.db2.gz	OFXAKBZNHRPURZ-AEFFLSMTSA-N	1	1	424.567	1.380	20	0		HDADMO
COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(OC)c1	ZINC001006072150	1075443278	/nfs/dbraw/zinc/44/32/78/1075443278.db2.gz	BNHXUCDBDFWBJF-NAHQNRHBSA-N	1	1	401.507	1.906	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676242999	1075444276	/nfs/dbraw/zinc/44/42/76/1075444276.db2.gz	QWUMELSMILAQBL-ZYSHUDEJSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676242999	1075444280	/nfs/dbraw/zinc/44/42/80/1075444280.db2.gz	QWUMELSMILAQBL-ZYSHUDEJSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CCO1	ZINC000676243787	1075445169	/nfs/dbraw/zinc/44/51/69/1075445169.db2.gz	XUEYWNNGXSVETF-JBACZVJFSA-N	1	1	403.571	1.384	20	0		HDADMO
COc1cc(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc(Br)c1OC	ZINC000676244140	1075445180	/nfs/dbraw/zinc/44/51/80/1075445180.db2.gz	PVQNZPDCZHBPHI-NHYWBVRUSA-N	1	1	416.316	1.985	20	0		HDADMO
COc1cc(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(Br)c1OC	ZINC000676244140	1075445182	/nfs/dbraw/zinc/44/51/82/1075445182.db2.gz	PVQNZPDCZHBPHI-NHYWBVRUSA-N	1	1	416.316	1.985	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676244270	1075446491	/nfs/dbraw/zinc/44/64/91/1075446491.db2.gz	SRHQAWQSUQUYBN-CRAIPNDOSA-N	1	1	412.556	1.234	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676244270	1075446493	/nfs/dbraw/zinc/44/64/93/1075446493.db2.gz	SRHQAWQSUQUYBN-CRAIPNDOSA-N	1	1	412.556	1.234	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676248073	1075448059	/nfs/dbraw/zinc/44/80/59/1075448059.db2.gz	MCNUBKFDPVEZMD-WOCWXWTJSA-N	1	1	418.538	1.454	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248073	1075448066	/nfs/dbraw/zinc/44/80/66/1075448066.db2.gz	MCNUBKFDPVEZMD-WOCWXWTJSA-N	1	1	418.538	1.454	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC1CCCC1	ZINC000676257705	1075453296	/nfs/dbraw/zinc/45/32/96/1075453296.db2.gz	HKRZSYCUZPLMLJ-YJBOKZPZSA-N	1	1	409.552	1.665	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC1CCCC1	ZINC000676257705	1075453299	/nfs/dbraw/zinc/45/32/99/1075453299.db2.gz	HKRZSYCUZPLMLJ-YJBOKZPZSA-N	1	1	409.552	1.665	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258311	1075453772	/nfs/dbraw/zinc/45/37/72/1075453772.db2.gz	HLXSRUUWAKTNEM-SZMVWBNQSA-N	1	1	420.579	1.774	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258311	1075453773	/nfs/dbraw/zinc/45/37/73/1075453773.db2.gz	HLXSRUUWAKTNEM-SZMVWBNQSA-N	1	1	420.579	1.774	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676258973	1075454239	/nfs/dbraw/zinc/45/42/39/1075454239.db2.gz	HFURTHNOHBKNSV-HEHGZKQESA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258973	1075454242	/nfs/dbraw/zinc/45/42/42/1075454242.db2.gz	HFURTHNOHBKNSV-HEHGZKQESA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258985	1075454820	/nfs/dbraw/zinc/45/48/20/1075454820.db2.gz	YOLBCJBLJDMIKQ-UZLBHIALSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258985	1075454824	/nfs/dbraw/zinc/45/48/24/1075454824.db2.gz	YOLBCJBLJDMIKQ-UZLBHIALSA-N	1	1	417.531	1.961	20	0		HDADMO
Cc1cc(N2C[C@H](C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2=O)ccc1Br	ZINC000676258780	1075454859	/nfs/dbraw/zinc/45/48/59/1075454859.db2.gz	DNYAJHZNVAQNMA-CKEIUWERSA-N	1	1	424.339	1.946	20	0		HDADMO
Cc1cc(N2C[C@H](C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2=O)ccc1Br	ZINC000676258780	1075454861	/nfs/dbraw/zinc/45/48/61/1075454861.db2.gz	DNYAJHZNVAQNMA-CKEIUWERSA-N	1	1	424.339	1.946	20	0		HDADMO
C[N@H+](CCc1ccccc1F)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000731671485	1075455797	/nfs/dbraw/zinc/45/57/97/1075455797.db2.gz	RXQQADQIFWSBKB-UHFFFAOYSA-N	1	1	419.522	1.833	20	0		HDADMO
C[N@@H+](CCc1ccccc1F)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000731671485	1075455801	/nfs/dbraw/zinc/45/58/01/1075455801.db2.gz	RXQQADQIFWSBKB-UHFFFAOYSA-N	1	1	419.522	1.833	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676261109	1075457797	/nfs/dbraw/zinc/45/77/97/1075457797.db2.gz	KFOLMMPHKUPOAK-LXZKKBNFSA-N	1	1	413.440	1.889	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261109	1075457799	/nfs/dbraw/zinc/45/77/99/1075457799.db2.gz	KFOLMMPHKUPOAK-LXZKKBNFSA-N	1	1	413.440	1.889	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676262772	1075461138	/nfs/dbraw/zinc/46/11/38/1075461138.db2.gz	LSBFPYMOKLHTKX-YXJHDRRASA-N	1	1	411.524	1.480	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262772	1075461143	/nfs/dbraw/zinc/46/11/43/1075461143.db2.gz	LSBFPYMOKLHTKX-YXJHDRRASA-N	1	1	411.524	1.480	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1CN(C)CCO1	ZINC000676262266	1075461721	/nfs/dbraw/zinc/46/17/21/1075461721.db2.gz	BUGRVMKSVKUMSV-DYESRHJHSA-N	1	1	415.538	1.814	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000731681180	1075463651	/nfs/dbraw/zinc/46/36/51/1075463651.db2.gz	LXUVHUUPIAUUKQ-UHFFFAOYSA-N	1	1	404.483	1.168	20	0		HDADMO
CS(=O)(=O)CCN1CCC(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1	ZINC000731680699	1075464221	/nfs/dbraw/zinc/46/42/21/1075464221.db2.gz	SOJUOFVNQHVRCI-UHFFFAOYSA-N	1	1	422.595	1.243	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731682474	1075464716	/nfs/dbraw/zinc/46/47/16/1075464716.db2.gz	SPGBNWUGVQQNMW-HDICACEKSA-N	1	1	416.632	1.553	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000676247349	1075464988	/nfs/dbraw/zinc/46/49/88/1075464988.db2.gz	HWAJVZFSFRANEV-SJORKVTESA-N	1	1	400.531	1.370	20	0		HDADMO
COc1cccc(OC)c1OC1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676249442	1075467216	/nfs/dbraw/zinc/46/72/16/1075467216.db2.gz	AJQCOPNYHUGPFD-BEFAXECRSA-N	1	1	407.511	1.976	20	0		HDADMO
COc1cccc(OC)c1OC1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676249442	1075467223	/nfs/dbraw/zinc/46/72/23/1075467223.db2.gz	AJQCOPNYHUGPFD-BEFAXECRSA-N	1	1	407.511	1.976	20	0		HDADMO
Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676249584	1075467419	/nfs/dbraw/zinc/46/74/19/1075467419.db2.gz	HWEWVXHCJZJFAD-SWLSCSKDSA-N	1	1	413.316	1.714	20	0		HDADMO
Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676249584	1075467424	/nfs/dbraw/zinc/46/74/24/1075467424.db2.gz	HWEWVXHCJZJFAD-SWLSCSKDSA-N	1	1	413.316	1.714	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676250740	1075467913	/nfs/dbraw/zinc/46/79/13/1075467913.db2.gz	IVXZYOLAXJASQL-UYAOXDASSA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250740	1075467915	/nfs/dbraw/zinc/46/79/15/1075467915.db2.gz	IVXZYOLAXJASQL-UYAOXDASSA-N	1	1	402.539	1.582	20	0		HDADMO
C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1	ZINC000547274433	1075471147	/nfs/dbraw/zinc/47/11/47/1075471147.db2.gz	XVOXAJQMUMCCBT-CRAIPNDOSA-N	1	1	410.312	1.237	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676254820	1075472428	/nfs/dbraw/zinc/47/24/28/1075472428.db2.gz	MNKLADDIKUDJBJ-CRAIPNDOSA-N	1	1	412.556	1.948	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676254820	1075472435	/nfs/dbraw/zinc/47/24/35/1075472435.db2.gz	MNKLADDIKUDJBJ-CRAIPNDOSA-N	1	1	412.556	1.948	20	0		HDADMO
CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)n1	ZINC000676278128	1075476359	/nfs/dbraw/zinc/47/63/59/1075476359.db2.gz	DODOCSZNKFLWSX-XHDPSFHLSA-N	1	1	421.885	1.726	20	0		HDADMO
CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)n1	ZINC000676278128	1075476360	/nfs/dbraw/zinc/47/63/60/1075476360.db2.gz	DODOCSZNKFLWSX-XHDPSFHLSA-N	1	1	421.885	1.726	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1OCC(F)(F)F	ZINC000676277756	1075476914	/nfs/dbraw/zinc/47/69/14/1075476914.db2.gz	ATXNWBHTFSXTOC-XHDPSFHLSA-N	1	1	419.400	1.410	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OCC(F)(F)F	ZINC000676277756	1075476917	/nfs/dbraw/zinc/47/69/17/1075476917.db2.gz	ATXNWBHTFSXTOC-XHDPSFHLSA-N	1	1	419.400	1.410	20	0		HDADMO
CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676277645	1075478143	/nfs/dbraw/zinc/47/81/43/1075478143.db2.gz	BSKJLVINCPQSLC-DYVFJYSZSA-N	1	1	424.929	1.500	20	0		HDADMO
CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676277645	1075478149	/nfs/dbraw/zinc/47/81/49/1075478149.db2.gz	BSKJLVINCPQSLC-DYVFJYSZSA-N	1	1	424.929	1.500	20	0		HDADMO
CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676277646	1075478236	/nfs/dbraw/zinc/47/82/36/1075478236.db2.gz	BSKJLVINCPQSLC-GUYCJALGSA-N	1	1	424.929	1.500	20	0		HDADMO
CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676277646	1075478242	/nfs/dbraw/zinc/47/82/42/1075478242.db2.gz	BSKJLVINCPQSLC-GUYCJALGSA-N	1	1	424.929	1.500	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12)[C@H]1C[N@H+](C)CCO1	ZINC000676279821	1075482762	/nfs/dbraw/zinc/48/27/62/1075482762.db2.gz	DXGJUTIFUIBJNF-XHDPSFHLSA-N	1	1	408.405	1.610	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12)[C@H]1C[N@@H+](C)CCO1	ZINC000676279821	1075482768	/nfs/dbraw/zinc/48/27/68/1075482768.db2.gz	DXGJUTIFUIBJNF-XHDPSFHLSA-N	1	1	408.405	1.610	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000429416937	1075483834	/nfs/dbraw/zinc/48/38/34/1075483834.db2.gz	FKBNHCIHWSCNBV-LBPRGKRZSA-N	1	1	407.305	1.931	20	0		HDADMO
Cc1conc1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000481853478	1075484433	/nfs/dbraw/zinc/48/44/33/1075484433.db2.gz	OECGGNXLCOCOTJ-SFHVURJKSA-N	1	1	412.490	1.967	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279350	1075484575	/nfs/dbraw/zinc/48/45/75/1075484575.db2.gz	OLLNJJGCIAWMQV-QAPCUYQASA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279350	1075484577	/nfs/dbraw/zinc/48/45/77/1075484577.db2.gz	OLLNJJGCIAWMQV-QAPCUYQASA-N	1	1	402.495	1.087	20	0		HDADMO
CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3CN(C)CCO3)c2C1	ZINC000676280576	1075485901	/nfs/dbraw/zinc/48/59/01/1075485901.db2.gz	JQEFMFREUBUMAX-GQIGUUNPSA-N	1	1	402.539	1.821	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@H]1C[N@H+](C)CCO1	ZINC000676280728	1075486041	/nfs/dbraw/zinc/48/60/41/1075486041.db2.gz	WARNKDBBNOSJIN-XHDPSFHLSA-N	1	1	402.417	1.545	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@H]1C[N@@H+](C)CCO1	ZINC000676280728	1075486045	/nfs/dbraw/zinc/48/60/45/1075486045.db2.gz	WARNKDBBNOSJIN-XHDPSFHLSA-N	1	1	402.417	1.545	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676280492	1075486581	/nfs/dbraw/zinc/48/65/81/1075486581.db2.gz	IVZUPAQMBARETR-CXAGYDPISA-N	1	1	400.435	1.306	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280492	1075486583	/nfs/dbraw/zinc/48/65/83/1075486583.db2.gz	IVZUPAQMBARETR-CXAGYDPISA-N	1	1	400.435	1.306	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280287	1075486604	/nfs/dbraw/zinc/48/66/04/1075486604.db2.gz	UXBUCIWGQUQXAN-APWZRJJASA-N	1	1	416.522	1.477	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280287	1075486612	/nfs/dbraw/zinc/48/66/12/1075486612.db2.gz	UXBUCIWGQUQXAN-APWZRJJASA-N	1	1	416.522	1.477	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281856	1075488336	/nfs/dbraw/zinc/48/83/36/1075488336.db2.gz	XWRGNXZDIDIHHH-GUYCJALGSA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281856	1075488340	/nfs/dbraw/zinc/48/83/40/1075488340.db2.gz	XWRGNXZDIDIHHH-GUYCJALGSA-N	1	1	404.492	1.496	20	0		HDADMO
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676281557	1075488698	/nfs/dbraw/zinc/48/86/98/1075488698.db2.gz	NPUZHMLSIGKCHH-XHDPSFHLSA-N	1	1	403.401	1.878	20	0		HDADMO
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676281557	1075488702	/nfs/dbraw/zinc/48/87/02/1075488702.db2.gz	NPUZHMLSIGKCHH-XHDPSFHLSA-N	1	1	403.401	1.878	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CS[C@H]1CCS(=O)(=O)C1	ZINC000711753906	1075491418	/nfs/dbraw/zinc/49/14/18/1075491418.db2.gz	AELRACZNDQWOCR-PKOBYXMFSA-N	1	1	412.577	1.002	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676289345	1075494914	/nfs/dbraw/zinc/49/49/14/1075494914.db2.gz	FPHLTWHYSHCMBZ-HNAYVOBHSA-N	1	1	421.519	1.515	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676289345	1075494920	/nfs/dbraw/zinc/49/49/20/1075494920.db2.gz	FPHLTWHYSHCMBZ-HNAYVOBHSA-N	1	1	421.519	1.515	20	0		HDADMO
COc1cccc([C@H]2[C@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@@H+]2C2CC2)c1	ZINC000569397411	1075495822	/nfs/dbraw/zinc/49/58/22/1075495822.db2.gz	IVYLUCPUKHFMRP-NQIIRXRSSA-N	1	1	423.517	2.339	20	0		HDADMO
COc1cccc([C@H]2[C@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@H+]2C2CC2)c1	ZINC000569397411	1075495827	/nfs/dbraw/zinc/49/58/27/1075495827.db2.gz	IVYLUCPUKHFMRP-NQIIRXRSSA-N	1	1	423.517	2.339	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1(c2ccc3c(c2)OCO3)CC1	ZINC000676295554	1075498782	/nfs/dbraw/zinc/49/87/82/1075498782.db2.gz	PYOPZAINKBZMAJ-QGZVFWFLSA-N	1	1	402.495	1.110	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676303723	1075502252	/nfs/dbraw/zinc/50/22/52/1075502252.db2.gz	HUUPPFWDDVCSKN-SNRMKQJTSA-N	1	1	410.946	1.420	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676303723	1075502255	/nfs/dbraw/zinc/50/22/55/1075502255.db2.gz	HUUPPFWDDVCSKN-SNRMKQJTSA-N	1	1	410.946	1.420	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676303721	1075502286	/nfs/dbraw/zinc/50/22/86/1075502286.db2.gz	HUUPPFWDDVCSKN-IPELMVKDSA-N	1	1	410.946	1.420	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676303721	1075502289	/nfs/dbraw/zinc/50/22/89/1075502289.db2.gz	HUUPPFWDDVCSKN-IPELMVKDSA-N	1	1	410.946	1.420	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676305509	1075503526	/nfs/dbraw/zinc/50/35/26/1075503526.db2.gz	PMSDWCFJONNJGT-CZUORRHYSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676305509	1075503529	/nfs/dbraw/zinc/50/35/29/1075503529.db2.gz	PMSDWCFJONNJGT-CZUORRHYSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676306236	1075503827	/nfs/dbraw/zinc/50/38/27/1075503827.db2.gz	KTOHYYJVNQOHIU-YJBOKZPZSA-N	1	1	424.929	1.292	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306236	1075503831	/nfs/dbraw/zinc/50/38/31/1075503831.db2.gz	KTOHYYJVNQOHIU-YJBOKZPZSA-N	1	1	424.929	1.292	20	0		HDADMO
C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H]1C[N@H+](C)CCO1	ZINC000676306403	1075504690	/nfs/dbraw/zinc/50/46/90/1075504690.db2.gz	UKBQNXSURVFOQY-BLLLJJGKSA-N	1	1	418.307	1.811	20	0		HDADMO
C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H]1C[N@@H+](C)CCO1	ZINC000676306403	1075504693	/nfs/dbraw/zinc/50/46/93/1075504693.db2.gz	UKBQNXSURVFOQY-BLLLJJGKSA-N	1	1	418.307	1.811	20	0		HDADMO
CC[NH+]1CCN(c2ccc(-c3noc(CN4C(=O)CN(C)C4=O)n3)cc2F)CC1	ZINC000544459616	1075507708	/nfs/dbraw/zinc/50/77/08/1075507708.db2.gz	SVNYTCDKDNUVAT-UHFFFAOYSA-N	1	1	402.430	1.412	20	0		HDADMO
O=C(CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN(c2ccccc2)CC1	ZINC000676343155	1075515664	/nfs/dbraw/zinc/51/56/64/1075515664.db2.gz	WHAPCSRPUHFWMX-HXUWFJFHSA-N	1	1	400.523	1.049	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[NH+](C)C	ZINC000504625474	1075516884	/nfs/dbraw/zinc/51/68/84/1075516884.db2.gz	DSXIVGYHYKONDX-SFHVURJKSA-N	1	1	422.489	1.693	20	0		HDADMO
C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@H]1C[N@H+](C)CCO1	ZINC000676332088	1075521637	/nfs/dbraw/zinc/52/16/37/1075521637.db2.gz	BDGBXASKJVZEAB-VQIMIIECSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676332088	1075521641	/nfs/dbraw/zinc/52/16/41/1075521641.db2.gz	BDGBXASKJVZEAB-VQIMIIECSA-N	1	1	417.531	1.961	20	0		HDADMO
C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)CC1	ZINC000731827327	1075525251	/nfs/dbraw/zinc/52/52/51/1075525251.db2.gz	XHSOMVLTUISGIH-OAHLLOKOSA-N	1	1	408.458	1.230	20	0		HDADMO
C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1	ZINC000676351064	1075527774	/nfs/dbraw/zinc/52/77/74/1075527774.db2.gz	NMZLOWOWCFOOME-UHFFFAOYSA-N	1	1	413.496	1.986	20	0		HDADMO
C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1	ZINC000676351064	1075527776	/nfs/dbraw/zinc/52/77/76/1075527776.db2.gz	NMZLOWOWCFOOME-UHFFFAOYSA-N	1	1	413.496	1.986	20	0		HDADMO
C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000731843794	1075529609	/nfs/dbraw/zinc/52/96/09/1075529609.db2.gz	YJOMVTUFFDMLMX-NVXWUHKLSA-N	1	1	400.527	1.697	20	0		HDADMO
C[C@@](CO)([NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccccc1	ZINC000731845094	1075529963	/nfs/dbraw/zinc/52/99/63/1075529963.db2.gz	XOTSPJGEZFMCOM-PKTZIBPZSA-N	1	1	424.501	1.458	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000676359278	1075532526	/nfs/dbraw/zinc/53/25/26/1075532526.db2.gz	AXCVKYJFVYMUBJ-UHFFFAOYSA-N	1	1	417.510	1.559	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000676387142	1075534166	/nfs/dbraw/zinc/53/41/66/1075534166.db2.gz	YZPZJXHACQGQCF-QZTJIDSGSA-N	1	1	412.600	1.137	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000676386599	1075534425	/nfs/dbraw/zinc/53/44/25/1075534425.db2.gz	LEGCTFYXWQNOSE-HZPDHXFCSA-N	1	1	400.479	1.177	20	0		HDADMO
O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1	ZINC000731838045	1075544709	/nfs/dbraw/zinc/54/47/09/1075544709.db2.gz	SVEZMYDOVLVQQJ-QGZVFWFLSA-N	1	1	404.898	1.751	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000731873755	1075549073	/nfs/dbraw/zinc/54/90/73/1075549073.db2.gz	ZYPJRDXHBFZIQG-VXKWHMMOSA-N	1	1	424.545	1.886	20	0		HDADMO
O=C(N1CCO[C@H](c2nn[nH]n2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000731880615	1075550862	/nfs/dbraw/zinc/55/08/62/1075550862.db2.gz	RMHLLDAYRGCYDS-YOEHRIQHSA-N	1	1	410.400	1.554	20	0		HDADMO
O=C(N1CCO[C@H](c2nn[nH]n2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000731880615	1075550865	/nfs/dbraw/zinc/55/08/65/1075550865.db2.gz	RMHLLDAYRGCYDS-YOEHRIQHSA-N	1	1	410.400	1.554	20	0		HDADMO
Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CC[NH+](C)CC3)C2=O)cc1	ZINC000731864319	1075558577	/nfs/dbraw/zinc/55/85/77/1075558577.db2.gz	URTRWRIISHJFJY-LGMDPLHJSA-N	1	1	402.520	1.395	20	0		HDADMO
Cc1c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cnn1-c1ccccc1	ZINC000676452587	1075558676	/nfs/dbraw/zinc/55/86/76/1075558676.db2.gz	KBKQJNAGQQFOQJ-LJQANCHMSA-N	1	1	410.522	1.358	20	0		HDADMO
COCCNc1nc(N2CCCOC(C)(C)C2)nc(N2CCCOC(C)(C)C2)[nH+]1	ZINC000676492619	1075564968	/nfs/dbraw/zinc/56/49/68/1075564968.db2.gz	OCKCZJALXZBAKH-UHFFFAOYSA-N	1	1	408.547	1.362	20	0		HDADMO
COc1cccc([C@@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1	ZINC000731911491	1075567755	/nfs/dbraw/zinc/56/77/55/1075567755.db2.gz	PGZXNXHXVORYLE-JOCHJYFZSA-N	1	1	412.486	1.925	20	0		HDADMO
C[C@@H](CCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[N@@H+](C)Cc1ccccc1	ZINC000429280640	1075567820	/nfs/dbraw/zinc/56/78/20/1075567820.db2.gz	QMVPUGLEDCXFAH-HNNXBMFYSA-N	1	1	424.505	2.409	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)COc2ccc3c(c2)CCC(=O)N3)CC1	ZINC000731919390	1075570909	/nfs/dbraw/zinc/57/09/09/1075570909.db2.gz	QIPYXWSIUKEZAE-UHFFFAOYSA-N	1	1	404.463	1.768	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=S)NCc1ccc(S(N)(=O)=O)cc1	ZINC000731951471	1075573464	/nfs/dbraw/zinc/57/34/64/1075573464.db2.gz	ZOMOELHPUXNKJE-MRXNPFEDSA-N	1	1	418.588	1.915	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=S)NCc1ccc(S(N)(=O)=O)cc1	ZINC000731951471	1075573469	/nfs/dbraw/zinc/57/34/69/1075573469.db2.gz	ZOMOELHPUXNKJE-MRXNPFEDSA-N	1	1	418.588	1.915	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N[C@@H](CO)CC(C)(C)C)cc1	ZINC000676518551	1075575959	/nfs/dbraw/zinc/57/59/59/1075575959.db2.gz	FDCZUJUKFAWMAV-GOSISDBHSA-N	1	1	419.570	1.815	20	0		HDADMO
C[C@H]1COCCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000676520172	1075575982	/nfs/dbraw/zinc/57/59/82/1075575982.db2.gz	UVGLVQALMASGDE-INIZCTEOSA-N	1	1	410.540	1.656	20	0		HDADMO
C[C@H]1COCCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000676520172	1075575986	/nfs/dbraw/zinc/57/59/86/1075575986.db2.gz	UVGLVQALMASGDE-INIZCTEOSA-N	1	1	410.540	1.656	20	0		HDADMO
COc1ccc2c(c1)CCCN2C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000731964275	1075577984	/nfs/dbraw/zinc/57/79/84/1075577984.db2.gz	FYCSNOTWONRFFV-FQEVSTJZSA-N	1	1	401.507	1.688	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCOc1ccccc1F	ZINC000731965656	1075578001	/nfs/dbraw/zinc/57/80/01/1075578001.db2.gz	OVNVGNZPIXSFLA-LJQANCHMSA-N	1	1	407.486	1.424	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000676539755	1075579934	/nfs/dbraw/zinc/57/99/34/1075579934.db2.gz	DUIVKLRHVKXMAV-SCLBCKFNSA-N	1	1	410.515	1.631	20	0		HDADMO
CCNC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000731973495	1075580633	/nfs/dbraw/zinc/58/06/33/1075580633.db2.gz	ZYEVSUFPXPCLHH-SFHVURJKSA-N	1	1	402.495	1.088	20	0		HDADMO
COc1ccccc1OCCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000731977703	1075581657	/nfs/dbraw/zinc/58/16/57/1075581657.db2.gz	RHIWHVVUTWOTSV-FQEVSTJZSA-N	1	1	419.522	1.246	20	0		HDADMO
C[C@@H]1CN(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)[C@@H](C)C[N@H+]1C	ZINC000509421682	1075582577	/nfs/dbraw/zinc/58/25/77/1075582577.db2.gz	ZXLBQRZGODORCW-MOPGFXCFSA-N	1	1	400.567	1.751	20	0		HDADMO
CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000676550535	1075583151	/nfs/dbraw/zinc/58/31/51/1075583151.db2.gz	KVCSWCONTDUMKP-MSOLQXFVSA-N	1	1	404.559	1.667	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2nnc(/C=C/c3ccco3)s2)CC1	ZINC000484134625	1075591097	/nfs/dbraw/zinc/59/10/97/1075591097.db2.gz	JSQUOVRVSALUCR-AATRIKPKSA-N	1	1	404.496	1.976	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)CNC(=O)OCC(F)(F)F)[C@@H](c2ccccc2)C1	ZINC000732056372	1075596105	/nfs/dbraw/zinc/59/61/05/1075596105.db2.gz	COPPPXWYLOCLPV-MRXNPFEDSA-N	1	1	416.444	1.770	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)CNC(=O)OCC(F)(F)F)[C@@H](c2ccccc2)C1	ZINC000732056372	1075596108	/nfs/dbraw/zinc/59/61/08/1075596108.db2.gz	COPPPXWYLOCLPV-MRXNPFEDSA-N	1	1	416.444	1.770	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)CNC(=O)OCC(F)(F)F)[C@@H](c2ccccc2)C1	ZINC000732056372	1075596112	/nfs/dbraw/zinc/59/61/12/1075596112.db2.gz	COPPPXWYLOCLPV-MRXNPFEDSA-N	1	1	416.444	1.770	20	0		HDADMO
C[C@@H]1CCC[N@@H+](CCCCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1	ZINC000613504036	1075603672	/nfs/dbraw/zinc/60/36/72/1075603672.db2.gz	WJASITCUBFQKSR-GOSISDBHSA-N	1	1	409.600	1.942	20	0		HDADMO
CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1	ZINC000804176295	1075603637	/nfs/dbraw/zinc/60/36/37/1075603637.db2.gz	JQFFHVNAQRAKPD-DLBZAZTESA-N	1	1	420.510	1.578	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N(C)Cc2ncc(Cl)n2C)[NH+]2CCCC2)o1	ZINC000804177688	1075604370	/nfs/dbraw/zinc/60/43/70/1075604370.db2.gz	UGHJDOWCWWPLFS-CQSZACIVSA-N	1	1	407.902	1.887	20	0		HDADMO
CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000732075795	1075606343	/nfs/dbraw/zinc/60/63/43/1075606343.db2.gz	OBQKGHIDRLHXKZ-GOSISDBHSA-N	1	1	414.579	1.628	20	0		HDADMO
CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1	ZINC000732075712	1075606781	/nfs/dbraw/zinc/60/67/81/1075606781.db2.gz	GGZPHMYBHRWPTI-QZTJIDSGSA-N	1	1	414.579	1.799	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000804180736	1075611539	/nfs/dbraw/zinc/61/15/39/1075611539.db2.gz	UANFUYDPVIEXKL-CVEARBPZSA-N	1	1	410.559	1.739	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C1	ZINC000676612762	1075615726	/nfs/dbraw/zinc/61/57/26/1075615726.db2.gz	JDIRFTAUINOQMY-OAHLLOKOSA-N	1	1	409.437	1.843	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC2)c1	ZINC000804181949	1075618406	/nfs/dbraw/zinc/61/84/06/1075618406.db2.gz	VMTRDNKPQYBNJD-UHFFFAOYSA-N	1	1	405.499	1.022	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)C[C@H](O)C1CC1	ZINC000676632610	1075625268	/nfs/dbraw/zinc/62/52/68/1075625268.db2.gz	NKLJTWZREWJGKN-IBGZPJMESA-N	1	1	409.552	1.811	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)C[C@H](O)C1CC1	ZINC000676632610	1075625271	/nfs/dbraw/zinc/62/52/71/1075625271.db2.gz	NKLJTWZREWJGKN-IBGZPJMESA-N	1	1	409.552	1.811	20	0		HDADMO
C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000732091049	1075625618	/nfs/dbraw/zinc/62/56/18/1075625618.db2.gz	ZBYKECKWFMFVFN-QAPCUYQASA-N	1	1	400.483	1.667	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000732091049	1075625621	/nfs/dbraw/zinc/62/56/21/1075625621.db2.gz	ZBYKECKWFMFVFN-QAPCUYQASA-N	1	1	400.483	1.667	20	0		HDADMO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCN1CCN(c2ccccn2)CC1	ZINC000676624619	1075629489	/nfs/dbraw/zinc/62/94/89/1075629489.db2.gz	FNARQMCEARFELR-VAMGGRTRSA-N	1	1	401.555	1.304	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)n1	ZINC000488718639	1075641534	/nfs/dbraw/zinc/64/15/34/1075641534.db2.gz	XOPUZVUVLLSYQO-OAHLLOKOSA-N	1	1	413.526	1.313	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1	ZINC000732149243	1075649750	/nfs/dbraw/zinc/64/97/50/1075649750.db2.gz	FGOCKUMHQSFJIX-MCRQTXEHSA-N	1	1	423.546	1.762	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000732149537	1075649895	/nfs/dbraw/zinc/64/98/95/1075649895.db2.gz	KWAIXCYTWUMNLW-HNNXBMFYSA-N	1	1	414.959	1.100	20	0		HDADMO
CC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1	ZINC000676717984	1075654582	/nfs/dbraw/zinc/65/45/82/1075654582.db2.gz	SPVUNDRSVYEERQ-UXHICEINSA-N	1	1	402.539	1.027	20	0		HDADMO
Cc1ccc(NC(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1S(N)(=O)=O	ZINC000676704743	1075656197	/nfs/dbraw/zinc/65/61/97/1075656197.db2.gz	GTRNKAVYBBITFA-UHFFFAOYSA-N	1	1	404.492	1.588	20	0		HDADMO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C	ZINC000676723352	1075659958	/nfs/dbraw/zinc/65/99/58/1075659958.db2.gz	IRQCLTCMQVQOKF-QYZOEREBSA-N	1	1	414.550	1.434	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732206726	1075664127	/nfs/dbraw/zinc/66/41/27/1075664127.db2.gz	LQLGPIGJPHASIX-INIZCTEOSA-N	1	1	410.559	1.692	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000732206726	1075664129	/nfs/dbraw/zinc/66/41/29/1075664129.db2.gz	LQLGPIGJPHASIX-INIZCTEOSA-N	1	1	410.559	1.692	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000732206492	1075664476	/nfs/dbraw/zinc/66/44/76/1075664476.db2.gz	BICKZAIFTYYCGF-QGZVFWFLSA-N	1	1	405.543	1.965	20	0		HDADMO
CCOCCO[C@H]1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C1	ZINC000676732967	1075664542	/nfs/dbraw/zinc/66/45/42/1075664542.db2.gz	ABGFFSSVMSEBJA-SFHVURJKSA-N	1	1	413.522	1.831	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)C2(Oc3ccccc3F)CC2)C1	ZINC000442740490	1075665893	/nfs/dbraw/zinc/66/58/93/1075665893.db2.gz	LSXBZCOKSWLSCB-CQSZACIVSA-N	1	1	401.442	1.548	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)C2(Oc3ccccc3F)CC2)C1	ZINC000442740490	1075665898	/nfs/dbraw/zinc/66/58/98/1075665898.db2.gz	LSXBZCOKSWLSCB-CQSZACIVSA-N	1	1	401.442	1.548	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc32)C1	ZINC000488905009	1075667834	/nfs/dbraw/zinc/66/78/34/1075667834.db2.gz	VWTZHRWFSZDVBX-UKRRQHHQSA-N	1	1	403.870	1.627	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc32)C1	ZINC000488905009	1075667838	/nfs/dbraw/zinc/66/78/38/1075667838.db2.gz	VWTZHRWFSZDVBX-UKRRQHHQSA-N	1	1	403.870	1.627	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000732211146	1075668455	/nfs/dbraw/zinc/66/84/55/1075668455.db2.gz	BGBOCQPJGXUROC-KRWDZBQOSA-N	1	1	409.552	1.793	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)c2cncnc2-c2ccccc2)C1	ZINC000558565874	1075669017	/nfs/dbraw/zinc/66/90/17/1075669017.db2.gz	DWOZESVKJATQKD-MRXNPFEDSA-N	1	1	405.462	1.568	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)c2cncnc2-c2ccccc2)C1	ZINC000558565874	1075669018	/nfs/dbraw/zinc/66/90/18/1075669018.db2.gz	DWOZESVKJATQKD-MRXNPFEDSA-N	1	1	405.462	1.568	20	0		HDADMO
C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCCc1nc(N)no1)C1CCCCC1	ZINC000538106766	1075672629	/nfs/dbraw/zinc/67/26/29/1075672629.db2.gz	QTIRHODSFLXJDB-UHFFFAOYSA-N	1	1	400.483	1.714	20	0		HDADMO
COCc1ncc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c(N)n1	ZINC000493344193	1075675322	/nfs/dbraw/zinc/67/53/22/1075675322.db2.gz	MBFDPRHMUBACLM-UHFFFAOYSA-N	1	1	410.478	1.744	20	0		HDADMO
C[C@H](CNC(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@@H+](C)Cc1ccccc1	ZINC000732249560	1075680240	/nfs/dbraw/zinc/68/02/40/1075680240.db2.gz	TUGWYSPRAVENBX-GOSISDBHSA-N	1	1	418.563	1.926	20	0		HDADMO
COCc1ncc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(N)n1	ZINC000622608163	1075680882	/nfs/dbraw/zinc/68/08/82/1075680882.db2.gz	XYIGAPWWIYNBDT-MRXNPFEDSA-N	1	1	405.449	1.979	20	0		HDADMO
COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000732226240	1075683368	/nfs/dbraw/zinc/68/33/68/1075683368.db2.gz	FDBYKKWADZERHD-SBSDFTTDSA-N	1	1	424.519	1.747	20	0		HDADMO
COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000732226240	1075683370	/nfs/dbraw/zinc/68/33/70/1075683370.db2.gz	FDBYKKWADZERHD-SBSDFTTDSA-N	1	1	424.519	1.747	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1	ZINC000732232274	1075685167	/nfs/dbraw/zinc/68/51/67/1075685167.db2.gz	HSVRSFJTVRFFRX-UXLLHSPISA-N	1	1	411.572	1.985	20	0		HDADMO
C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000732275307	1075686947	/nfs/dbraw/zinc/68/69/47/1075686947.db2.gz	IRONKXTUVWJVBR-MSOLQXFVSA-N	1	1	422.570	1.789	20	0		HDADMO
CO[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C	ZINC000509435638	1075687753	/nfs/dbraw/zinc/68/77/53/1075687753.db2.gz	DBFPAWNSFCVPPB-NZSAHSFTSA-N	1	1	402.539	1.243	20	0		HDADMO
C[C@@H](C(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1	ZINC000732271463	1075690873	/nfs/dbraw/zinc/69/08/73/1075690873.db2.gz	XZECVKBEBJTYRD-KRWDZBQOSA-N	1	1	401.532	1.669	20	0		HDADMO
C[C@@H](C(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@H+]1CCc2ccccc2C1	ZINC000732271463	1075690875	/nfs/dbraw/zinc/69/08/75/1075690875.db2.gz	XZECVKBEBJTYRD-KRWDZBQOSA-N	1	1	401.532	1.669	20	0		HDADMO
C[NH+](C)[C@H](C(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1cccc(Cl)c1	ZINC000732291030	1075700256	/nfs/dbraw/zinc/70/02/56/1075700256.db2.gz	NAWAULRNIHTHBY-KRWDZBQOSA-N	1	1	401.960	1.568	20	0		HDADMO
C[NH+](C)[C@@H](C(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1cccc(Cl)c1	ZINC000732291031	1075700466	/nfs/dbraw/zinc/70/04/66/1075700466.db2.gz	NAWAULRNIHTHBY-QGZVFWFLSA-N	1	1	401.960	1.568	20	0		HDADMO
COc1cc2nc(NC[C@@H](O)C[N@H+]3CCc4ccccc4C3)nc(N)c2cc1OC	ZINC000486157746	1075702304	/nfs/dbraw/zinc/70/23/04/1075702304.db2.gz	NSFJTYGCQIBHAM-MRXNPFEDSA-N	1	1	409.490	1.482	20	0		HDADMO
COc1cc2[nH+]c(NC[C@H](O)COc3ccc4c(c3)OCO4)nc(N)c2cc1OC	ZINC000480450357	1075702631	/nfs/dbraw/zinc/70/26/31/1075702631.db2.gz	SZIYAMJJGILVEX-NSHDSACASA-N	1	1	414.418	1.232	20	0		HDADMO
COc1cc2[nH+]c(N[C@H](C)c3cccc(S(N)(=O)=O)c3)nc(N)c2cc1OC	ZINC000486446478	1075703265	/nfs/dbraw/zinc/70/32/65/1075703265.db2.gz	CYBQISXCMBZACI-SNVBAGLBSA-N	1	1	403.464	1.472	20	0		HDADMO
COc1cc2[nH+]c(N(C)CCN3C(=O)c4ccccc4C3=O)nc(N)c2cc1OC	ZINC000513996576	1075704351	/nfs/dbraw/zinc/70/43/51/1075704351.db2.gz	JSVPFZSJYXSKGV-UHFFFAOYSA-N	1	1	407.430	1.962	20	0		HDADMO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCN1c1ccccc1	ZINC000476670039	1075706956	/nfs/dbraw/zinc/70/69/56/1075706956.db2.gz	AFIRJNPXBVBPAP-ATZDWAIDSA-N	1	1	410.522	1.712	20	0		HDADMO
C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCN1c1ccccc1	ZINC000476670039	1075706961	/nfs/dbraw/zinc/70/69/61/1075706961.db2.gz	AFIRJNPXBVBPAP-ATZDWAIDSA-N	1	1	410.522	1.712	20	0		HDADMO
CC[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439247	1075713571	/nfs/dbraw/zinc/71/35/71/1075713571.db2.gz	DHVTVUHLQKVHMY-PGRDOPGGSA-N	1	1	402.539	1.077	20	0		HDADMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@H+]1Cc1ccccc1	ZINC000475858279	1075714098	/nfs/dbraw/zinc/71/40/98/1075714098.db2.gz	UVWHRCFVBUHDMI-AEFFLSMTSA-N	1	1	413.526	1.883	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1	ZINC000462801165	1075715204	/nfs/dbraw/zinc/71/52/04/1075715204.db2.gz	HSQUUYKJIJHMMO-QGZVFWFLSA-N	1	1	409.494	1.876	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)OC(C)(C)C1	ZINC000509438714	1075716325	/nfs/dbraw/zinc/71/63/25/1075716325.db2.gz	NPLUEECESUODII-QZTJIDSGSA-N	1	1	402.539	1.339	20	0		HDADMO
Cn1cnc(CCNc2cc(NCCc3ncn(C)n3)[nH+]c(-c3ccccc3)n2)n1	ZINC000557607483	1075716857	/nfs/dbraw/zinc/71/68/57/1075716857.db2.gz	VZWMKYPDHYMYAG-UHFFFAOYSA-N	1	1	404.482	1.710	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C[N@H+]1Cc1ccccc1	ZINC000495006108	1075722325	/nfs/dbraw/zinc/72/23/25/1075722325.db2.gz	LEZAQJDPSJQLJZ-HOCLYGCPSA-N	1	1	401.540	1.615	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCc1nccs1	ZINC000509441048	1075723611	/nfs/dbraw/zinc/72/36/11/1075723611.db2.gz	ULJXJSLTVAHWMS-QGZVFWFLSA-N	1	1	415.563	1.471	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F	ZINC000509440472	1075724843	/nfs/dbraw/zinc/72/48/43/1075724843.db2.gz	GTYWZZVACLJNGQ-CGTJXYLNSA-N	1	1	424.492	1.590	20	0		HDADMO
Cc1nc(C[NH+]2CCC(C(=O)N3CCN(c4nc(N)ns4)CC3)CC2)cs1	ZINC000467867148	1075734050	/nfs/dbraw/zinc/73/40/50/1075734050.db2.gz	KPSFYENIIUESJC-UHFFFAOYSA-N	1	1	407.569	1.446	20	0		HDADMO
Cn1nc(NC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC(F)F	ZINC000548327891	1075736683	/nfs/dbraw/zinc/73/66/83/1075736683.db2.gz	KKYCEVWLIWZKCH-GFCCVEGCSA-N	1	1	414.482	2.193	20	0		HDADMO
CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509259126	1075737603	/nfs/dbraw/zinc/73/76/03/1075737603.db2.gz	RRFSALFISABAAU-HOTGVXAUSA-N	1	1	414.597	1.932	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCCO1	ZINC000509443404	1075737648	/nfs/dbraw/zinc/73/76/48/1075737648.db2.gz	ZXZDAMAEDYIRKY-ICSRJNTNSA-N	1	1	402.539	1.341	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(Cc1ccccn1)C1CC1	ZINC000509443253	1075739057	/nfs/dbraw/zinc/73/90/57/1075739057.db2.gz	YPJLWNTVYHHUAN-IBGZPJMESA-N	1	1	421.545	1.900	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509443210	1075739147	/nfs/dbraw/zinc/73/91/47/1075739147.db2.gz	YFLXZNZVZZYUGD-ICSRJNTNSA-N	1	1	402.539	1.341	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)CC1	ZINC000732446123	1075747051	/nfs/dbraw/zinc/74/70/51/1075747051.db2.gz	XTDURWZPVKQISV-OAHLLOKOSA-N	1	1	413.563	1.532	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000732459073	1075750046	/nfs/dbraw/zinc/75/00/46/1075750046.db2.gz	NDASBRFCEGZKFV-JKSUJKDBSA-N	1	1	413.563	1.484	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000440661141	1075750282	/nfs/dbraw/zinc/75/02/82/1075750282.db2.gz	PJPRZKZWDPVSHF-OAHLLOKOSA-N	1	1	407.522	1.989	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F	ZINC000732485180	1075762040	/nfs/dbraw/zinc/76/20/40/1075762040.db2.gz	NMWYRDLQKZETER-SNVBAGLBSA-N	1	1	406.886	1.955	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1	ZINC000521417088	1075762376	/nfs/dbraw/zinc/76/23/76/1075762376.db2.gz	UBCHOZABSHGBPU-CQSZACIVSA-N	1	1	407.522	1.819	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000487027222	1075762665	/nfs/dbraw/zinc/76/26/65/1075762665.db2.gz	LXDRHUGOEOZYON-IBGZPJMESA-N	1	1	421.549	1.937	20	0		HDADMO
CCCN1C(=O)C(=O)N(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1=O	ZINC000732491757	1075765296	/nfs/dbraw/zinc/76/52/96/1075765296.db2.gz	NVENJBWMXPHYBP-UHFFFAOYSA-N	1	1	408.886	1.495	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-c2cnn(C)c2)nn1	ZINC000433686475	1075766922	/nfs/dbraw/zinc/76/69/22/1075766922.db2.gz	TXYSEOMVXHYADT-JOCHJYFZSA-N	1	1	421.505	1.978	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1	ZINC000470951311	1075773919	/nfs/dbraw/zinc/77/39/19/1075773919.db2.gz	VQKZFCMLUKAEQW-KRWDZBQOSA-N	1	1	414.535	1.203	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1)C1CC1	ZINC000804223544	1075776026	/nfs/dbraw/zinc/77/60/26/1075776026.db2.gz	FAOLYDRBZBLJJS-JQHSSLGASA-N	1	1	422.570	1.739	20	0		HDADMO
C[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)(N2CCCCC2)CC1	ZINC000442445171	1075776861	/nfs/dbraw/zinc/77/68/61/1075776861.db2.gz	MRGIYFNTLLUKSX-UHFFFAOYSA-N	1	1	424.549	1.877	20	0		HDADMO
CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559233	1075785140	/nfs/dbraw/zinc/78/51/40/1075785140.db2.gz	JHSANORPCVZHGD-IAGOWNOFSA-N	1	1	412.600	1.923	20	0		HDADMO
CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559233	1075785147	/nfs/dbraw/zinc/78/51/47/1075785147.db2.gz	JHSANORPCVZHGD-IAGOWNOFSA-N	1	1	412.600	1.923	20	0		HDADMO
CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1	ZINC000732559218	1075785173	/nfs/dbraw/zinc/78/51/73/1075785173.db2.gz	IYDUGUKZCDGNGI-GOSISDBHSA-N	1	1	424.567	1.109	20	0		HDADMO
CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000732559218	1075785179	/nfs/dbraw/zinc/78/51/79/1075785179.db2.gz	IYDUGUKZCDGNGI-GOSISDBHSA-N	1	1	424.567	1.109	20	0		HDADMO
CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559234	1075785204	/nfs/dbraw/zinc/78/52/04/1075785204.db2.gz	JHSANORPCVZHGD-IRXDYDNUSA-N	1	1	412.600	1.923	20	0		HDADMO
CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559234	1075785208	/nfs/dbraw/zinc/78/52/08/1075785208.db2.gz	JHSANORPCVZHGD-IRXDYDNUSA-N	1	1	412.600	1.923	20	0		HDADMO
CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732559232	1075785320	/nfs/dbraw/zinc/78/53/20/1075785320.db2.gz	JHSANORPCVZHGD-DLBZAZTESA-N	1	1	412.600	1.923	20	0		HDADMO
CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732559232	1075785321	/nfs/dbraw/zinc/78/53/21/1075785321.db2.gz	JHSANORPCVZHGD-DLBZAZTESA-N	1	1	412.600	1.923	20	0		HDADMO
CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000732560017	1075786370	/nfs/dbraw/zinc/78/63/70/1075786370.db2.gz	UBYZEVJSVUKADG-IBGZPJMESA-N	1	1	413.497	1.612	20	0		HDADMO
CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732560017	1075786371	/nfs/dbraw/zinc/78/63/71/1075786371.db2.gz	UBYZEVJSVUKADG-IBGZPJMESA-N	1	1	413.497	1.612	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565385	1075789858	/nfs/dbraw/zinc/78/98/58/1075789858.db2.gz	XYFHFYRHOVGCFO-OEFWXDCSSA-N	1	1	408.612	1.871	20	0		HDADMO
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565385	1075789862	/nfs/dbraw/zinc/78/98/62/1075789862.db2.gz	XYFHFYRHOVGCFO-OEFWXDCSSA-N	1	1	408.612	1.871	20	0		HDADMO
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732565059	1075789900	/nfs/dbraw/zinc/78/99/00/1075789900.db2.gz	VCVTUJPUMWGMAQ-PXNSSMCTSA-N	1	1	402.539	1.928	20	0		HDADMO
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732565059	1075789905	/nfs/dbraw/zinc/78/99/05/1075789905.db2.gz	VCVTUJPUMWGMAQ-PXNSSMCTSA-N	1	1	402.539	1.928	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1	ZINC000559628739	1075790402	/nfs/dbraw/zinc/79/04/02/1075790402.db2.gz	UPIYEGWKPSMZHP-CYBMUJFWSA-N	1	1	420.311	2.031	20	0		HDADMO
CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)c1	ZINC000486823288	1075790421	/nfs/dbraw/zinc/79/04/21/1075790421.db2.gz	KKLIVKYHNRITBZ-RCLSDMTESA-N	1	1	421.586	1.195	20	0		HDADMO
CC(C)N(C)c1cnn([C@@H]2CCCN(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)c1	ZINC000486823288	1075790425	/nfs/dbraw/zinc/79/04/25/1075790425.db2.gz	KKLIVKYHNRITBZ-RCLSDMTESA-N	1	1	421.586	1.195	20	0		HDADMO
CC(C)N(C)c1cnn([C@@H]2CCCN(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)c1	ZINC000486823288	1075790429	/nfs/dbraw/zinc/79/04/29/1075790429.db2.gz	KKLIVKYHNRITBZ-RCLSDMTESA-N	1	1	421.586	1.195	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CO[NH+]=C(N)C2CCOCC2)c1	ZINC000732570014	1075790539	/nfs/dbraw/zinc/79/05/39/1075790539.db2.gz	DTUADDPPEXMTIM-UHFFFAOYSA-N	1	1	412.512	1.581	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C1	ZINC000438322473	1075796003	/nfs/dbraw/zinc/79/60/03/1075796003.db2.gz	OETLQNPAPZTFFI-PMACEKPBSA-N	1	1	418.586	2.334	20	0		HDADMO
C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)CC[N@H+]1Cc1ccccc1	ZINC000444521359	1075799848	/nfs/dbraw/zinc/79/98/48/1075799848.db2.gz	WZDRJZLKBQTWCN-HNNXBMFYSA-N	1	1	405.449	2.210	20	0		HDADMO
C=CCNS(=O)(=O)c1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F	ZINC000143002919	1075801660	/nfs/dbraw/zinc/80/16/60/1075801660.db2.gz	IAGKYLOEFCHAMY-GASCZTMLSA-N	1	1	413.515	1.519	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2nnc(Cc3ccccc3F)s2)CC[N@H+]1CC(C)(C)O	ZINC000444821233	1075807786	/nfs/dbraw/zinc/80/77/86/1075807786.db2.gz	YWQWXFBSCVGBBM-ZDUSSCGKSA-N	1	1	407.515	2.577	20	0		HDADMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000550838191	1075808489	/nfs/dbraw/zinc/80/84/89/1075808489.db2.gz	CRJPOWHLGILBCK-WFASDCNBSA-N	1	1	413.444	1.618	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@@H+]1Cc1ccccc1	ZINC000466709565	1075812301	/nfs/dbraw/zinc/81/23/01/1075812301.db2.gz	DWAXOMJIOMMXAM-FUHWJXTLSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@H+]1Cc1ccccc1	ZINC000466709565	1075812307	/nfs/dbraw/zinc/81/23/07/1075812307.db2.gz	DWAXOMJIOMMXAM-FUHWJXTLSA-N	1	1	404.474	1.985	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000611037237	1075818233	/nfs/dbraw/zinc/81/82/33/1075818233.db2.gz	HBWXDFJZMWTSJO-CABCVRRESA-N	1	1	411.524	1.716	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611038053	1075818306	/nfs/dbraw/zinc/81/83/06/1075818306.db2.gz	IRMZDRXNAPEQTK-QZTJIDSGSA-N	1	1	403.527	1.569	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1	ZINC000611038521	1075818619	/nfs/dbraw/zinc/81/86/19/1075818619.db2.gz	SNKXBNGPYHJHJX-CQSZACIVSA-N	1	1	408.499	1.425	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1	ZINC000611038521	1075818623	/nfs/dbraw/zinc/81/86/23/1075818623.db2.gz	SNKXBNGPYHJHJX-CQSZACIVSA-N	1	1	408.499	1.425	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)C1	ZINC000490375347	1075824569	/nfs/dbraw/zinc/82/45/69/1075824569.db2.gz	QATWGKKRRJFPAZ-HNNXBMFYSA-N	1	1	419.913	1.937	20	0		HDADMO
CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1	ZINC000484183294	1075824601	/nfs/dbraw/zinc/82/46/01/1075824601.db2.gz	YJYRYBKQQAWKCO-UHFFFAOYSA-N	1	1	404.902	1.719	20	0		HDADMO
CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(C)n1	ZINC000551627842	1075830529	/nfs/dbraw/zinc/83/05/29/1075830529.db2.gz	KIJGQBHQHNDMNI-HXUWFJFHSA-N	1	1	411.550	2.550	20	0		HDADMO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)N2CC[N@H+](CC)[C@H](C)C2)n1	ZINC000611100548	1075833700	/nfs/dbraw/zinc/83/37/00/1075833700.db2.gz	JLWBQIJPKLHIIE-OAHLLOKOSA-N	1	1	413.478	1.540	20	0		HDADMO
CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)N2CC[N@@H+](CC)[C@H](C)C2)n1	ZINC000611100548	1075833704	/nfs/dbraw/zinc/83/37/04/1075833704.db2.gz	JLWBQIJPKLHIIE-OAHLLOKOSA-N	1	1	413.478	1.540	20	0		HDADMO
COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CSC)C2)cc1S(=O)(=O)N(C)C	ZINC000429292861	1075839317	/nfs/dbraw/zinc/83/93/17/1075839317.db2.gz	KBGYNFKZIMOPDX-AWEZNQCLSA-N	1	1	415.581	1.959	20	0		HDADMO
COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CSC)C2)cc1S(=O)(=O)N(C)C	ZINC000429292861	1075839320	/nfs/dbraw/zinc/83/93/20/1075839320.db2.gz	KBGYNFKZIMOPDX-AWEZNQCLSA-N	1	1	415.581	1.959	20	0		HDADMO
COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000611090895	1075839807	/nfs/dbraw/zinc/83/98/07/1075839807.db2.gz	QUABNRLMFRIDDP-CQSZACIVSA-N	1	1	401.463	1.015	20	0		HDADMO
COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000611090895	1075839814	/nfs/dbraw/zinc/83/98/14/1075839814.db2.gz	QUABNRLMFRIDDP-CQSZACIVSA-N	1	1	401.463	1.015	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=S)NCCc3ccc4c(c3)OCCO4)C2)CC1	ZINC000732721759	1075843695	/nfs/dbraw/zinc/84/36/95/1075843695.db2.gz	VFEBRKGDFMUFHY-QGZVFWFLSA-N	1	1	404.580	1.633	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=S)NCCc3ccc4c(c3)OCCO4)C2)CC1	ZINC000732721759	1075843699	/nfs/dbraw/zinc/84/36/99/1075843699.db2.gz	VFEBRKGDFMUFHY-QGZVFWFLSA-N	1	1	404.580	1.633	20	0		HDADMO
CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000573748326	1075843934	/nfs/dbraw/zinc/84/39/34/1075843934.db2.gz	XSLGEIHTDPCDSD-ZDUSSCGKSA-N	1	1	422.327	2.418	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1	ZINC000531377130	1075847812	/nfs/dbraw/zinc/84/78/12/1075847812.db2.gz	KDVYNLGSRRNQDO-HNNXBMFYSA-N	1	1	404.902	1.765	20	0		HDADMO
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1	ZINC000466657028	1075850134	/nfs/dbraw/zinc/85/01/34/1075850134.db2.gz	BWFYHZPAPAILFM-IYBDPMFKSA-N	1	1	407.536	1.595	20	0		HDADMO
CN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732788946	1075857805	/nfs/dbraw/zinc/85/78/05/1075857805.db2.gz	VFIKWLULPKOJTJ-IRXDYDNUSA-N	1	1	412.456	1.597	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000560200173	1075858669	/nfs/dbraw/zinc/85/86/69/1075858669.db2.gz	YEQNZWKYKVVBPH-IRXDYDNUSA-N	1	1	411.506	2.324	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000560200173	1075858673	/nfs/dbraw/zinc/85/86/73/1075858673.db2.gz	YEQNZWKYKVVBPH-IRXDYDNUSA-N	1	1	411.506	2.324	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)CC1	ZINC000732782298	1075866071	/nfs/dbraw/zinc/86/60/71/1075866071.db2.gz	WTAGAOUFWWMDBS-OAHLLOKOSA-N	1	1	406.914	1.350	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)CC1	ZINC000732782298	1075866075	/nfs/dbraw/zinc/86/60/75/1075866075.db2.gz	WTAGAOUFWWMDBS-OAHLLOKOSA-N	1	1	406.914	1.350	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1	ZINC000804217259	1075867118	/nfs/dbraw/zinc/86/71/18/1075867118.db2.gz	VUTZCNGWWFZSIR-QGZVFWFLSA-N	1	1	404.511	1.314	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732809787	1075871978	/nfs/dbraw/zinc/87/19/78/1075871978.db2.gz	OOBSAGCGRAYHFY-ROUUACIJSA-N	1	1	416.522	1.429	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732809787	1075871982	/nfs/dbraw/zinc/87/19/82/1075871982.db2.gz	OOBSAGCGRAYHFY-ROUUACIJSA-N	1	1	416.522	1.429	20	0		HDADMO
COC(=O)[C@@H](CC(F)F)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000611191340	1075873212	/nfs/dbraw/zinc/87/32/12/1075873212.db2.gz	RWWMLPXZHYKLJE-CQSZACIVSA-N	1	1	407.421	1.490	20	0		HDADMO
CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732834142	1075882253	/nfs/dbraw/zinc/88/22/53/1075882253.db2.gz	NHPHMAVCUWLEGW-IAGOWNOFSA-N	1	1	413.440	1.806	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)n2)CCN1C	ZINC000489367048	1075883065	/nfs/dbraw/zinc/88/30/65/1075883065.db2.gz	KHRKLWHVNSFYGP-SFTDATJTSA-N	1	1	415.582	1.906	20	0		HDADMO
CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)n2)CCN1C	ZINC000489367048	1075883069	/nfs/dbraw/zinc/88/30/69/1075883069.db2.gz	KHRKLWHVNSFYGP-SFTDATJTSA-N	1	1	415.582	1.906	20	0		HDADMO
COC(=O)c1cccc([C@H](C(=O)OC)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000611244301	1075884524	/nfs/dbraw/zinc/88/45/24/1075884524.db2.gz	QBDHFEOCHDSMMU-ZWKOTPCHSA-N	1	1	403.479	1.101	20	0		HDADMO
COC(=O)c1ccc(OCCN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)c1	ZINC000611244331	1075884665	/nfs/dbraw/zinc/88/46/65/1075884665.db2.gz	WENSASKIDNQQBS-QGZVFWFLSA-N	1	1	409.914	1.920	20	0		HDADMO
COC(=O)c1cc(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc(C(=O)OC)c1	ZINC000611244220	1075885400	/nfs/dbraw/zinc/88/54/00/1075885400.db2.gz	KCDPKVAPBHINSJ-SFHVURJKSA-N	1	1	403.479	1.174	20	0		HDADMO
C[C@H]1CN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)cc2F)C[C@H](C)O1	ZINC000732895855	1075898440	/nfs/dbraw/zinc/89/84/40/1075898440.db2.gz	HOKJAVZFFPEWAR-GJZGRUSLSA-N	1	1	424.542	1.543	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000611321434	1075900136	/nfs/dbraw/zinc/90/01/36/1075900136.db2.gz	PBQXPNUMWUNDRU-IRXDYDNUSA-N	1	1	403.479	1.775	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)C1	ZINC000611321662	1075900426	/nfs/dbraw/zinc/90/04/26/1075900426.db2.gz	CNZJYRQATOKEEP-MRXNPFEDSA-N	1	1	419.522	1.815	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)C1	ZINC000611321662	1075900428	/nfs/dbraw/zinc/90/04/28/1075900428.db2.gz	CNZJYRQATOKEEP-MRXNPFEDSA-N	1	1	419.522	1.815	20	0		HDADMO
COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Cl	ZINC000611365693	1075914055	/nfs/dbraw/zinc/91/40/55/1075914055.db2.gz	WHRUZCPAXMWYOH-HOTGVXAUSA-N	1	1	409.870	1.123	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1	ZINC000611372398	1075915921	/nfs/dbraw/zinc/91/59/21/1075915921.db2.gz	XRLUTNGJMOVOED-HZPDHXFCSA-N	1	1	400.483	1.607	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1	ZINC000611372398	1075915935	/nfs/dbraw/zinc/91/59/35/1075915935.db2.gz	XRLUTNGJMOVOED-HZPDHXFCSA-N	1	1	400.483	1.607	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1	ZINC000611372399	1075916077	/nfs/dbraw/zinc/91/60/77/1075916077.db2.gz	XRLUTNGJMOVOED-JKSUJKDBSA-N	1	1	400.483	1.607	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1	ZINC000611372399	1075916080	/nfs/dbraw/zinc/91/60/80/1075916080.db2.gz	XRLUTNGJMOVOED-JKSUJKDBSA-N	1	1	400.483	1.607	20	0		HDADMO
C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1F	ZINC000611359269	1075917324	/nfs/dbraw/zinc/91/73/24/1075917324.db2.gz	VXAURFNTJJUTPV-WQIZZMQYSA-N	1	1	411.499	1.215	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000732930862	1075919121	/nfs/dbraw/zinc/91/91/21/1075919121.db2.gz	SNLVTAOQLHATMD-UXHICEINSA-N	1	1	415.607	1.768	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)C[C@H]1C	ZINC000611484545	1075946715	/nfs/dbraw/zinc/94/67/15/1075946715.db2.gz	AGFSNMMTJLSHOY-XLIONFOSSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)C[C@H]1C	ZINC000611484545	1075946718	/nfs/dbraw/zinc/94/67/18/1075946718.db2.gz	AGFSNMMTJLSHOY-XLIONFOSSA-N	1	1	403.523	1.845	20	0		HDADMO
CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1	ZINC000611510623	1075951216	/nfs/dbraw/zinc/95/12/16/1075951216.db2.gz	BUKOWHGVVQZVFH-QGZVFWFLSA-N	1	1	414.499	1.878	20	0		HDADMO
CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1	ZINC000611510623	1075951218	/nfs/dbraw/zinc/95/12/18/1075951218.db2.gz	BUKOWHGVVQZVFH-QGZVFWFLSA-N	1	1	414.499	1.878	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(C(=O)c2cc(I)ccc2F)CC1	ZINC000611515886	1075953192	/nfs/dbraw/zinc/95/31/92/1075953192.db2.gz	QEBQCOJCYNSQJT-UHFFFAOYSA-N	1	1	406.239	1.959	20	0		HDADMO
CC(C)OC(=O)N1CCC(NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1	ZINC000733042277	1075963367	/nfs/dbraw/zinc/96/33/67/1075963367.db2.gz	NARSKMWSERRMCE-LJQANCHMSA-N	1	1	409.575	1.807	20	0		HDADMO
Cc1nonc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1	ZINC001079252359	1075967371	/nfs/dbraw/zinc/96/73/71/1075967371.db2.gz	HOOKNQGKFSSAFP-XDKCKUNGSA-N	1	1	414.506	1.241	20	0		HDADMO
Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)nc1	ZINC001079252704	1075967560	/nfs/dbraw/zinc/96/75/60/1075967560.db2.gz	OWNONFWMEZXTDN-OSFNYYGPSA-N	1	1	424.545	1.648	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1	ZINC000018110805	1075969492	/nfs/dbraw/zinc/96/94/92/1075969492.db2.gz	RHKOBRBALXXXFO-UHFFFAOYSA-N	1	1	406.486	1.733	20	0		HDADMO
C[N@@H+]1CC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000490963317	1075970271	/nfs/dbraw/zinc/97/02/71/1075970271.db2.gz	HASRCPGLPKYCET-MOPGFXCFSA-N	1	1	410.946	1.421	20	0		HDADMO
C[N@H+]1CC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000490963317	1075970274	/nfs/dbraw/zinc/97/02/74/1075970274.db2.gz	HASRCPGLPKYCET-MOPGFXCFSA-N	1	1	410.946	1.421	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1COCCN1CC(F)(F)F	ZINC000506509421	1075976228	/nfs/dbraw/zinc/97/62/28/1075976228.db2.gz	DPMLNKGVTPMRKG-IEBWSBKVSA-N	1	1	415.456	1.345	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)c2C)no1	ZINC000507701999	1075979484	/nfs/dbraw/zinc/97/94/84/1075979484.db2.gz	AWWQTHJGTUOPIS-UHFFFAOYSA-N	1	1	410.478	1.693	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)NC)CC1=O	ZINC000733130952	1075979953	/nfs/dbraw/zinc/97/99/53/1075979953.db2.gz	VHGMLGLGMYGSMW-UKRRQHHQSA-N	1	1	406.914	1.971	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O	ZINC000733133860	1075980965	/nfs/dbraw/zinc/98/09/65/1075980965.db2.gz	GDSCIMAGWXIYFR-SJLPKXTDSA-N	1	1	422.570	1.835	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCNc2ncnc3sccc32)CC1=O	ZINC000733133088	1075981012	/nfs/dbraw/zinc/98/10/12/1075981012.db2.gz	INWWDDMZPZOLME-CABCVRRESA-N	1	1	416.551	1.552	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(C3N=NC(=S)N3C)CC2)CC1=O	ZINC000733151200	1075987255	/nfs/dbraw/zinc/98/72/55/1075987255.db2.gz	BFCFMUKAVHUOJC-HZPDHXFCSA-N	1	1	420.583	1.143	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[S@](=O)Cc2ccccc2)CC1=O	ZINC000733153348	1075988175	/nfs/dbraw/zinc/98/81/75/1075988175.db2.gz	SXXKOOCVUPZXFD-ILLIAVPXSA-N	1	1	405.564	1.384	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000733155707	1075988906	/nfs/dbraw/zinc/98/89/06/1075988906.db2.gz	QBNNCHSBTIQIHC-MRXNPFEDSA-N	1	1	401.511	1.134	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000733157416	1075990202	/nfs/dbraw/zinc/99/02/02/1075990202.db2.gz	WUPSKGYGTCGWBR-SFHVURJKSA-N	1	1	416.570	1.199	20	0		HDADMO
CN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000510280631	1075990335	/nfs/dbraw/zinc/99/03/35/1075990335.db2.gz	BQXKFMGICLVKQK-JKSUJKDBSA-N	1	1	418.504	1.662	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1	ZINC000733157027	1075990695	/nfs/dbraw/zinc/99/06/95/1075990695.db2.gz	QWXVNEFHUIEDEU-SFHVURJKSA-N	1	1	416.595	1.930	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000733170770	1076000729	/nfs/dbraw/zinc/00/07/29/1076000729.db2.gz	RYBJYIPRDNTJRI-PYUISTEWSA-N	1	1	408.568	1.461	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2C)no1	ZINC000513689278	1076006566	/nfs/dbraw/zinc/00/65/66/1076006566.db2.gz	BEXWWMMPAPZVPX-OAQYLSRUSA-N	1	1	410.478	1.298	20	0		HDADMO
COC(=O)CC[N@H+](CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O)C(C)C	ZINC000733184310	1076012435	/nfs/dbraw/zinc/01/24/35/1076012435.db2.gz	PIJVWUSRFOXSCP-NRFANRHFSA-N	1	1	419.478	1.889	20	0		HDADMO
COC(=O)CC[N@@H+](CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O)C(C)C	ZINC000733184310	1076012440	/nfs/dbraw/zinc/01/24/40/1076012440.db2.gz	PIJVWUSRFOXSCP-NRFANRHFSA-N	1	1	419.478	1.889	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C2)no1	ZINC000514030955	1076016929	/nfs/dbraw/zinc/01/69/29/1076016929.db2.gz	NCSAPHIKNKTNHN-AEFFLSMTSA-N	1	1	418.542	1.781	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)C[C@@H](C)O1	ZINC000514125112	1076017555	/nfs/dbraw/zinc/01/75/55/1076017555.db2.gz	QPKVBZNZRCQHQJ-QWFCFKBJSA-N	1	1	412.534	1.272	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)C[C@@H](C)O1	ZINC000514125112	1076017557	/nfs/dbraw/zinc/01/75/57/1076017557.db2.gz	QPKVBZNZRCQHQJ-QWFCFKBJSA-N	1	1	412.534	1.272	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081974804	1076020850	/nfs/dbraw/zinc/02/08/50/1076020850.db2.gz	CYDVYJJPDVCXHP-XBJCXQGOSA-N	1	1	400.519	1.931	20	0		HDADMO
CO[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081975205	1076022021	/nfs/dbraw/zinc/02/20/21/1076022021.db2.gz	URSKPBWOCHPEMF-AYZHRIAMSA-N	1	1	404.507	1.241	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081975205	1076022027	/nfs/dbraw/zinc/02/20/27/1076022027.db2.gz	URSKPBWOCHPEMF-AYZHRIAMSA-N	1	1	404.507	1.241	20	0		HDADMO
C[C@H](CNC(=O)C(=O)N1CCC2(CC1)OCCc1ccsc12)C[NH+]1CCOCC1	ZINC000514422042	1076022616	/nfs/dbraw/zinc/02/26/16/1076022616.db2.gz	LVQZZXQIYXVGLL-MRXNPFEDSA-N	1	1	421.563	1.223	20	0		HDADMO
COCC[N@H+](CCC(=O)OC)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000733309704	1076035255	/nfs/dbraw/zinc/03/52/55/1076035255.db2.gz	LKOYJGMTJYDRCA-QGZVFWFLSA-N	1	1	406.479	1.633	20	0		HDADMO
COCC[N@@H+](CCC(=O)OC)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000733309704	1076035261	/nfs/dbraw/zinc/03/52/61/1076035261.db2.gz	LKOYJGMTJYDRCA-QGZVFWFLSA-N	1	1	406.479	1.633	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)NC(=O)N[C@@H]1C	ZINC000733310731	1076035857	/nfs/dbraw/zinc/03/58/57/1076035857.db2.gz	UHIFIHUGKLTBPQ-OAHLLOKOSA-N	1	1	414.506	1.742	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc2)CC1	ZINC000733340291	1076046405	/nfs/dbraw/zinc/04/64/05/1076046405.db2.gz	AEWLHXDXNVMIMI-UHFFFAOYSA-N	1	1	424.611	1.837	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1=O	ZINC000733359058	1076051716	/nfs/dbraw/zinc/05/17/16/1076051716.db2.gz	XIRICDIMVDGBFC-YLJYHZDGSA-N	1	1	414.550	1.919	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)c2ccc(OCC(N)=O)cc2)c2cccs2)CC1	ZINC000053273489	1076055734	/nfs/dbraw/zinc/05/57/34/1076055734.db2.gz	NBZVEVBZTWTCRM-QGZVFWFLSA-N	1	1	402.520	1.331	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1[NH2+]Cc1nnnn1C1CCOCC1	ZINC001082522926	1076057308	/nfs/dbraw/zinc/05/73/08/1076057308.db2.gz	LUKPYHHXKUYMJQ-WCWVYFQPSA-N	1	1	400.527	1.563	20	0		HDADMO
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)C1=O	ZINC000727167586	1076067553	/nfs/dbraw/zinc/06/75/53/1076067553.db2.gz	VEYPVHLDOSDPGF-QVKFZJNVSA-N	1	1	402.495	1.787	20	0		HDADMO
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@H](CCC(N)=O)C2)C1=O	ZINC000727167586	1076067561	/nfs/dbraw/zinc/06/75/61/1076067561.db2.gz	VEYPVHLDOSDPGF-QVKFZJNVSA-N	1	1	402.495	1.787	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(N3CCCC3)nc2)C1	ZINC000727208040	1076082242	/nfs/dbraw/zinc/08/22/42/1076082242.db2.gz	UCMIYHQLAGUBHV-GOSISDBHSA-N	1	1	404.511	1.312	20	0		HDADMO
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000727232161	1076086720	/nfs/dbraw/zinc/08/67/20/1076086720.db2.gz	YVYDPHLPHAWTPN-GFCCVEGCSA-N	1	1	401.435	1.318	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=S)NNC(=S)NCCCN(C)c1ccccc1	ZINC000727290978	1076093039	/nfs/dbraw/zinc/09/30/39/1076093039.db2.gz	SEVRDQWQUKNLGU-KRWDZBQOSA-N	1	1	408.641	1.840	20	0		HDADMO
COC(=O)N[C@H](C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(C)C	ZINC000733554189	1076097008	/nfs/dbraw/zinc/09/70/08/1076097008.db2.gz	JZLREDGLICZJTL-KRWDZBQOSA-N	1	1	413.515	1.062	20	0		HDADMO
COC(=O)N[C@H](C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(C)C	ZINC000733555486	1076097820	/nfs/dbraw/zinc/09/78/20/1076097820.db2.gz	QZOKUMVSTKBAAH-FQEVSTJZSA-N	1	1	419.522	1.953	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)COc1ccc(C=O)cc1	ZINC000727376063	1076100682	/nfs/dbraw/zinc/10/06/82/1076100682.db2.gz	QWQXDYXHFYFSSV-UHFFFAOYSA-N	1	1	411.458	1.913	20	0		HDADMO
CCOC(=O)C1C(CN2CC[C@H](C[NH+](C)C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000733614647	1076130240	/nfs/dbraw/zinc/13/02/40/1076130240.db2.gz	SZFVUQMQRBSPCN-QRWLVFNGSA-N	1	1	416.522	1.750	20	0		HDADMO
C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000727524367	1076146278	/nfs/dbraw/zinc/14/62/78/1076146278.db2.gz	DMXQUDRPWVCKHO-YJBOKZPZSA-N	1	1	422.485	1.987	20	0		HDADMO
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000733667934	1076148611	/nfs/dbraw/zinc/14/86/11/1076148611.db2.gz	FSBXQSSYHZABFC-HOTGVXAUSA-N	1	1	424.567	1.047	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1	ZINC000526921021	1076191582	/nfs/dbraw/zinc/19/15/82/1076191582.db2.gz	KPJKXAOBULWNRN-APWZRJJASA-N	1	1	409.408	1.921	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1	ZINC000526921021	1076191590	/nfs/dbraw/zinc/19/15/90/1076191590.db2.gz	KPJKXAOBULWNRN-APWZRJJASA-N	1	1	409.408	1.921	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NCc2nc(N(C)C)n(-c3ccccc3)c2Cl)CC1	ZINC000727645355	1076198328	/nfs/dbraw/zinc/19/83/28/1076198328.db2.gz	HGJOFKVOTPLSNV-UHFFFAOYSA-N	1	1	404.946	1.892	20	0		HDADMO
COCC[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)C1CCCC1	ZINC000733793537	1076199780	/nfs/dbraw/zinc/19/97/80/1076199780.db2.gz	HVGSQSLCNCQYSE-NRFANRHFSA-N	1	1	418.494	1.384	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]([C@H](C)C3CC3)C3CC3)C2=O)c1	ZINC000733793694	1076201847	/nfs/dbraw/zinc/20/18/47/1076201847.db2.gz	RRLCXHOVFQCBBO-LRTDBIEQSA-N	1	1	400.479	1.756	20	0		HDADMO
O=C(NCCO)C1CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1	ZINC000733795366	1076215046	/nfs/dbraw/zinc/21/50/46/1076215046.db2.gz	XWGABGGYWWWWOP-MRXNPFEDSA-N	1	1	415.412	1.511	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C3CC3)C3CCCC3)C2=O)c1	ZINC000733793779	1076215073	/nfs/dbraw/zinc/21/50/73/1076215073.db2.gz	WZPNQLPRFDWFJZ-OAQYLSRUSA-N	1	1	400.479	1.900	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1	ZINC000727741693	1076216406	/nfs/dbraw/zinc/21/64/06/1076216406.db2.gz	HAAMIIADIGBZSP-LBPRGKRZSA-N	1	1	403.932	1.477	20	0		HDADMO
C[NH+]1CCN([C@H](C(=O)OCCN2C(=O)c3ccccc3C2=O)c2ccccc2)CC1	ZINC000727748424	1076223342	/nfs/dbraw/zinc/22/33/42/1076223342.db2.gz	RINCZDGRNGRTIX-FQEVSTJZSA-N	1	1	407.470	1.815	20	0		HDADMO
C[NH+]1CCN(c2cc(C(=O)Nc3cccc(OCCS(C)(=O)=O)c3)ccn2)CC1	ZINC000727748929	1076223652	/nfs/dbraw/zinc/22/36/52/1076223652.db2.gz	PNXBSAXLDUGKQV-UHFFFAOYSA-N	1	1	418.519	1.509	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1	ZINC000727749059	1076223717	/nfs/dbraw/zinc/22/37/17/1076223717.db2.gz	HTHLHYHDFNTKFM-UHFFFAOYSA-N	1	1	401.504	1.308	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1	ZINC000733854004	1076230397	/nfs/dbraw/zinc/23/03/97/1076230397.db2.gz	ONKOSZPURWNFIJ-DLBZAZTESA-N	1	1	411.510	1.714	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)C2)no1	ZINC000532835154	1076239948	/nfs/dbraw/zinc/23/99/48/1076239948.db2.gz	JQKYEPCVYWAHEP-QZTJIDSGSA-N	1	1	420.558	1.885	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(Cc3nc4ccccc4s3)CC2)C[C@H](C)O1	ZINC000533098510	1076240964	/nfs/dbraw/zinc/24/09/64/1076240964.db2.gz	DJIMXXJPUBDDRO-FGTMMUONSA-N	1	1	404.580	1.884	20	0		HDADMO
COc1cc(NS(C)(=O)=O)ccc1NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000533185652	1076242632	/nfs/dbraw/zinc/24/26/32/1076242632.db2.gz	ZGQFZGYTWCCWRP-UHFFFAOYSA-N	1	1	421.523	1.651	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1	ZINC000533358315	1076243030	/nfs/dbraw/zinc/24/30/30/1076243030.db2.gz	ZABAZRVBXZHVBP-WSTZPKSXSA-N	1	1	415.538	1.324	20	0		HDADMO
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1	ZINC000533831444	1076245530	/nfs/dbraw/zinc/24/55/30/1076245530.db2.gz	GPNKXIXBGOHLBJ-FQEVSTJZSA-N	1	1	415.515	1.861	20	0		HDADMO
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1	ZINC000533831444	1076245534	/nfs/dbraw/zinc/24/55/34/1076245534.db2.gz	GPNKXIXBGOHLBJ-FQEVSTJZSA-N	1	1	415.515	1.861	20	0		HDADMO
Cn1cc(C(=O)NCC2CCN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)cn1	ZINC000533846942	1076246091	/nfs/dbraw/zinc/24/60/91/1076246091.db2.gz	CBOMWDNRPWJAAL-HXUWFJFHSA-N	1	1	410.522	1.758	20	0		HDADMO
Cn1cc(C(=O)NCC2CCN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)cn1	ZINC000533846942	1076246095	/nfs/dbraw/zinc/24/60/95/1076246095.db2.gz	CBOMWDNRPWJAAL-HXUWFJFHSA-N	1	1	410.522	1.758	20	0		HDADMO
CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000534183907	1076246910	/nfs/dbraw/zinc/24/69/10/1076246910.db2.gz	OBGPMCJEAGBWSR-LEWJYISDSA-N	1	1	416.543	1.844	20	0		HDADMO
CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC001299318176	1076247098	/nfs/dbraw/zinc/24/70/98/1076247098.db2.gz	UIFOAEXGWFDYDB-UHFFFAOYSA-N	1	1	412.604	1.481	20	0		HDADMO
CSc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000534355352	1076247231	/nfs/dbraw/zinc/24/72/31/1076247231.db2.gz	MHKAOZHKZZQEEN-UHFFFAOYSA-N	1	1	404.536	1.408	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1	ZINC000534480170	1076247535	/nfs/dbraw/zinc/24/75/35/1076247535.db2.gz	MNGUFBVOYFHSTQ-QKLQHJQFSA-N	1	1	424.973	1.366	20	0		HDADMO
CCCNC(=O)Nc1ccc(CC(=O)N2CC[NH+](C(COC)COC)CC2)cc1	ZINC001299319856	1076248018	/nfs/dbraw/zinc/24/80/18/1076248018.db2.gz	XSUPEHWDLTXHTA-UHFFFAOYSA-N	1	1	406.527	1.566	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2C(=O)NC(C)C)C1	ZINC000144138842	1076253447	/nfs/dbraw/zinc/25/34/47/1076253447.db2.gz	SYCBOCPDDOMAJF-IRXDYDNUSA-N	1	1	418.538	1.626	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2C(=O)NC(C)C)C1	ZINC000144138842	1076253450	/nfs/dbraw/zinc/25/34/50/1076253450.db2.gz	SYCBOCPDDOMAJF-IRXDYDNUSA-N	1	1	418.538	1.626	20	0		HDADMO
COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536048287	1076254802	/nfs/dbraw/zinc/25/48/02/1076254802.db2.gz	RQTHOXNUTXVNSL-PXNSSMCTSA-N	1	1	417.554	1.042	20	0		HDADMO
COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536048287	1076254806	/nfs/dbraw/zinc/25/48/06/1076254806.db2.gz	RQTHOXNUTXVNSL-PXNSSMCTSA-N	1	1	417.554	1.042	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+](CC)CC(C)(C)O)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000733896573	1076257246	/nfs/dbraw/zinc/25/72/46/1076257246.db2.gz	JHXWMGBVLANILB-SFHVURJKSA-N	1	1	405.495	1.959	20	0		HDADMO
CCOC(=O)C1=C(C[N@H+](CC)CC(C)(C)O)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000733896573	1076257251	/nfs/dbraw/zinc/25/72/51/1076257251.db2.gz	JHXWMGBVLANILB-SFHVURJKSA-N	1	1	405.495	1.959	20	0		HDADMO
CCOC(=O)C1=C(C[N@@H+](CC)CC(C)(C)O)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000733896573	1076257254	/nfs/dbraw/zinc/25/72/54/1076257254.db2.gz	JHXWMGBVLANILB-SFHVURJKSA-N	1	1	405.495	1.959	20	0		HDADMO
O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000727802412	1076259028	/nfs/dbraw/zinc/25/90/28/1076259028.db2.gz	SRDAXJZWPNYABC-GJZGRUSLSA-N	1	1	407.433	1.863	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1	ZINC000727835889	1076265882	/nfs/dbraw/zinc/26/58/82/1076265882.db2.gz	OWPJZMBPFMQQMJ-UHFFFAOYSA-N	1	1	416.931	1.509	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1	ZINC000727860164	1076274644	/nfs/dbraw/zinc/27/46/44/1076274644.db2.gz	UXIRQQRRUAZXSM-OAHLLOKOSA-N	1	1	405.524	1.469	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1	ZINC000727860095	1076274982	/nfs/dbraw/zinc/27/49/82/1076274982.db2.gz	PSIXTEREIAFFAR-INIZCTEOSA-N	1	1	419.551	1.860	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000733975707	1076280019	/nfs/dbraw/zinc/28/00/19/1076280019.db2.gz	JZAPEDWLEHFIPQ-FLIBITNWSA-N	1	1	408.568	1.605	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CCC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1	ZINC000733974834	1076280074	/nfs/dbraw/zinc/28/00/74/1076280074.db2.gz	DDEBCRFNCBFZHE-UHFFFAOYSA-N	1	1	416.551	1.213	20	0		HDADMO
Cc1ccn2ncc(C(=O)OCC(=O)N3CC[NH+](Cc4ccccc4C)CC3)c2n1	ZINC000727929169	1076285574	/nfs/dbraw/zinc/28/55/74/1076285574.db2.gz	KFTRNLIXKLBXOX-UHFFFAOYSA-N	1	1	407.474	1.847	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)c3ccccc3)cc2)CC1	ZINC000734075789	1076303080	/nfs/dbraw/zinc/30/30/80/1076303080.db2.gz	IXSOETJXHINMCX-HSZRJFAPSA-N	1	1	410.518	1.791	20	0		HDADMO
COc1ccc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@H]3C2)cc1	ZINC001083148129	1076304940	/nfs/dbraw/zinc/30/49/40/1076304940.db2.gz	WDTXZCJWJBODKO-GLOJMNGXSA-N	1	1	400.519	1.964	20	0		HDADMO
CCC(=O)N1CSC[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000728023915	1076308858	/nfs/dbraw/zinc/30/88/58/1076308858.db2.gz	JYVIEXLWHVTYBG-HNNXBMFYSA-N	1	1	414.572	1.357	20	0		HDADMO
COCCCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)CC1	ZINC000728045667	1076318511	/nfs/dbraw/zinc/31/85/11/1076318511.db2.gz	WINZWFJAOIXFGK-QFIPXVFZSA-N	1	1	416.522	1.584	20	0		HDADMO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)c1	ZINC000728053439	1076321232	/nfs/dbraw/zinc/32/12/32/1076321232.db2.gz	KGJPQYFPOWRLQF-HIFRSBDPSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)c1	ZINC000728053439	1076321236	/nfs/dbraw/zinc/32/12/36/1076321236.db2.gz	KGJPQYFPOWRLQF-HIFRSBDPSA-N	1	1	420.462	1.672	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1	ZINC000024622815	1076345740	/nfs/dbraw/zinc/34/57/40/1076345740.db2.gz	OINIMUBLBDQVEM-UHFFFAOYSA-N	1	1	419.522	1.881	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1	ZINC000728151988	1076347964	/nfs/dbraw/zinc/34/79/64/1076347964.db2.gz	KYGHWSOOBSPDST-IDHHARJASA-N	1	1	400.504	1.668	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)CN(C)C(=O)OC(C)(C)C	ZINC000728152634	1076348608	/nfs/dbraw/zinc/34/86/08/1076348608.db2.gz	QMJSCYWRYFULSA-UHFFFAOYSA-N	1	1	420.510	1.888	20	0		HDADMO
COc1ccccc1[C@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)[NH+](C)C	ZINC000027101288	1076358377	/nfs/dbraw/zinc/35/83/77/1076358377.db2.gz	SSRBECBFTUHKKP-SFHVURJKSA-N	1	1	410.474	1.508	20	0		HDADMO
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000027252892	1076358960	/nfs/dbraw/zinc/35/89/60/1076358960.db2.gz	UMDRLLIQKDXVHD-UHFFFAOYSA-N	1	1	406.486	1.879	20	0		HDADMO
COc1ccc(F)cc1CN1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000027360320	1076359396	/nfs/dbraw/zinc/35/93/96/1076359396.db2.gz	QQXIMUHSPFTZKP-UHFFFAOYSA-N	1	1	423.510	1.678	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1C1OCCO1)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000728172413	1076364531	/nfs/dbraw/zinc/36/45/31/1076364531.db2.gz	HCVZMDIGUBBOQI-LJQANCHMSA-N	1	1	407.555	1.855	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1C1OCCO1)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000728172413	1076364538	/nfs/dbraw/zinc/36/45/38/1076364538.db2.gz	HCVZMDIGUBBOQI-LJQANCHMSA-N	1	1	407.555	1.855	20	0		HDADMO
CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5C=C[C@H]4CC5)[C@@H]3C2)C1=O	ZINC001084358809	1076367319	/nfs/dbraw/zinc/36/73/19/1076367319.db2.gz	ZKTDZMBVYAMWSX-CWQOZTLDSA-N	1	1	400.523	1.452	20	0		HDADMO
CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5C=C[C@H]4CC5)[C@@H]3C2)C1=O	ZINC001084358809	1076367324	/nfs/dbraw/zinc/36/73/24/1076367324.db2.gz	ZKTDZMBVYAMWSX-CWQOZTLDSA-N	1	1	400.523	1.452	20	0		HDADMO
COCc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)cc1	ZINC001084539663	1076369488	/nfs/dbraw/zinc/36/94/88/1076369488.db2.gz	BCXXKYDBSHEGTD-CDJZJNNCSA-N	1	1	400.519	1.917	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)OCC(C)C)CC2)CC1=O	ZINC000729920415	1076395911	/nfs/dbraw/zinc/39/59/11/1076395911.db2.gz	LKOMRUJUEHIDEA-QZTJIDSGSA-N	1	1	408.543	1.256	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)C1	ZINC000729981475	1076405600	/nfs/dbraw/zinc/40/56/00/1076405600.db2.gz	XQZBAPUJOHPCCE-OAHLLOKOSA-N	1	1	401.504	1.353	20	0		HDADMO
CN(C(=O)/C=C/Sc1ccccc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729981208	1076406168	/nfs/dbraw/zinc/40/61/68/1076406168.db2.gz	ZHLCKSJKSYJRMO-LICLKQGHSA-N	1	1	416.591	1.989	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C1	ZINC000729983065	1076407491	/nfs/dbraw/zinc/40/74/91/1076407491.db2.gz	KSZJZOFMOJBOKP-HNNXBMFYSA-N	1	1	409.508	1.080	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000730099667	1076452058	/nfs/dbraw/zinc/45/20/58/1076452058.db2.gz	MJXHVPZPQNNJRP-WBVHZDCISA-N	1	1	414.572	1.318	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000730099666	1076452125	/nfs/dbraw/zinc/45/21/25/1076452125.db2.gz	MJXHVPZPQNNJRP-RDJZCZTQSA-N	1	1	414.572	1.318	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000730134218	1076460298	/nfs/dbraw/zinc/46/02/98/1076460298.db2.gz	SPVRFESUYLMKHY-AWEZNQCLSA-N	1	1	408.934	1.034	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730117730	1076463183	/nfs/dbraw/zinc/46/31/83/1076463183.db2.gz	KYMQSYLCLTXJAU-INIZCTEOSA-N	1	1	411.547	1.097	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1	ZINC000730219283	1076481221	/nfs/dbraw/zinc/48/12/21/1076481221.db2.gz	YIBSSCRUSBSSPD-WOJBJXKFSA-N	1	1	412.534	1.622	20	0		HDADMO
C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730261483	1076503107	/nfs/dbraw/zinc/50/31/07/1076503107.db2.gz	KYVRLBUERFZILC-YOEHRIQHSA-N	1	1	408.524	1.331	20	0		HDADMO
C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730261483	1076503119	/nfs/dbraw/zinc/50/31/19/1076503119.db2.gz	KYVRLBUERFZILC-YOEHRIQHSA-N	1	1	408.524	1.331	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000730263442	1076505471	/nfs/dbraw/zinc/50/54/71/1076505471.db2.gz	UDWSVLABYISFSM-CQSZACIVSA-N	1	1	412.512	1.262	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c1	ZINC000730286232	1076514655	/nfs/dbraw/zinc/51/46/55/1076514655.db2.gz	HCNJFWJXBQEJOO-MRXNPFEDSA-N	1	1	402.568	1.684	20	0		HDADMO
CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1	ZINC000730313349	1076529253	/nfs/dbraw/zinc/52/92/53/1076529253.db2.gz	UGUWODJQBTWJMA-SFHVURJKSA-N	1	1	405.520	1.104	20	0		HDADMO
COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1	ZINC000730391042	1076571416	/nfs/dbraw/zinc/57/14/16/1076571416.db2.gz	SNHZBZRXLGMBON-UHFFFAOYSA-N	1	1	416.522	1.615	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000730559713	1076595161	/nfs/dbraw/zinc/59/51/61/1076595161.db2.gz	JQDYTVQVFRRLLY-IAGOWNOFSA-N	1	1	412.600	1.925	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000730562967	1076603589	/nfs/dbraw/zinc/60/35/89/1076603589.db2.gz	OLCUEOANHHTENX-CVEARBPZSA-N	1	1	420.476	1.778	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000730562968	1076603630	/nfs/dbraw/zinc/60/36/30/1076603630.db2.gz	OLCUEOANHHTENX-HOTGVXAUSA-N	1	1	420.476	1.778	20	0		HDADMO
C[N@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O	ZINC000730803828	1076657989	/nfs/dbraw/zinc/65/79/89/1076657989.db2.gz	OWWOZKYUAOYSON-QVKFZJNVSA-N	1	1	416.478	1.726	20	0		HDADMO
C[N@@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O	ZINC000730803828	1076657992	/nfs/dbraw/zinc/65/79/92/1076657992.db2.gz	OWWOZKYUAOYSON-QVKFZJNVSA-N	1	1	416.478	1.726	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C1	ZINC000730787597	1076658029	/nfs/dbraw/zinc/65/80/29/1076658029.db2.gz	NEVWNHYCJDQWSA-AWEZNQCLSA-N	1	1	417.959	1.819	20	0		HDADMO
C[N@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C[C@H]1CCCOC1	ZINC000730808087	1076665901	/nfs/dbraw/zinc/66/59/01/1076665901.db2.gz	BEKBKZNQGVVCNI-DYESRHJHSA-N	1	1	402.495	1.319	20	0		HDADMO
COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000730813177	1076667799	/nfs/dbraw/zinc/66/77/99/1076667799.db2.gz	ZLQNHJJVDVODMB-NWDGAFQWSA-N	1	1	423.304	1.738	20	0		HDADMO
COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000730813177	1076667802	/nfs/dbraw/zinc/66/78/02/1076667802.db2.gz	ZLQNHJJVDVODMB-NWDGAFQWSA-N	1	1	423.304	1.738	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[NH+]2CCN(CCCOCC(F)(F)F)CC2)cc1	ZINC000730937674	1076697528	/nfs/dbraw/zinc/69/75/28/1076697528.db2.gz	BFUZSRPHCGOIAB-UHFFFAOYSA-N	1	1	409.474	1.463	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1	ZINC000730938085	1076698582	/nfs/dbraw/zinc/69/85/82/1076698582.db2.gz	QYEUZOPGZCYTGQ-UHFFFAOYSA-N	1	1	421.950	1.917	20	0		HDADMO
O=S(=O)(c1ccc(NC(=S)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1)N1CCOCC1	ZINC000730958643	1076701131	/nfs/dbraw/zinc/70/11/31/1076701131.db2.gz	ZOMKFZQUKZYPLJ-QGZVFWFLSA-N	1	1	424.592	1.478	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cnn(-c4ccccc4)n3)c2)C1	ZINC000730975078	1076702449	/nfs/dbraw/zinc/70/24/49/1076702449.db2.gz	WBRLDZYTOUDMFT-LJQANCHMSA-N	1	1	418.501	1.895	20	0		HDADMO
Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nnn1-c1ccc(OC(F)F)cc1	ZINC000731188698	1076742161	/nfs/dbraw/zinc/74/21/61/1076742161.db2.gz	JFJSCEHKNXKMKE-GOEBONIOSA-N	1	1	407.421	1.770	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)CC1	ZINC000731180873	1076745571	/nfs/dbraw/zinc/74/55/71/1076745571.db2.gz	XXVMNSGWZNEYBB-UHFFFAOYSA-N	1	1	415.460	1.845	20	0		HDADMO
CCCC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@@H]1CCS(=O)(=O)C1	ZINC000731214427	1076749340	/nfs/dbraw/zinc/74/93/40/1076749340.db2.gz	NROFYNRJFGLCHR-VQCBNXJZSA-N	1	1	404.554	1.256	20	0		HDADMO
CCCC[C@H]1NC(=O)N(CN2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O	ZINC000731209855	1076755819	/nfs/dbraw/zinc/75/58/19/1076755819.db2.gz	ZVUQAEVTDWGHCG-GOSISDBHSA-N	1	1	407.559	1.321	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3ncnc4c(C)cc(OC)cc43)CC2)C1=O	ZINC001164644257	719285734	/nfs/dbraw/zinc/28/57/34/719285734.db2.gz	FVXMNGDQRMURRU-UHFFFAOYSA-N	1	1	413.522	1.706	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4c(C)cc(OC)cc43)CC2)C1=O	ZINC001164644257	719285736	/nfs/dbraw/zinc/28/57/36/719285736.db2.gz	FVXMNGDQRMURRU-UHFFFAOYSA-N	1	1	413.522	1.706	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2	ZINC001164647415	719306395	/nfs/dbraw/zinc/30/63/95/719306395.db2.gz	LZAGHOSATLOMPK-UHFFFAOYSA-N	1	1	412.947	1.935	20	0		HDADMO
C[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)C[C@H]21	ZINC001164671500	719409592	/nfs/dbraw/zinc/40/95/92/719409592.db2.gz	PSIJYTPCHXXACQ-QZTJIDSGSA-N	1	1	402.520	1.857	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)CC2	ZINC001164686780	719729790	/nfs/dbraw/zinc/72/97/90/719729790.db2.gz	SFYDITXFGKGGRK-UHFFFAOYSA-N	1	1	420.901	1.579	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(/C=C\C(=O)OC)cc3cc[nH]c31)CC2	ZINC001164684739	719735467	/nfs/dbraw/zinc/73/54/67/719735467.db2.gz	KGBZDPPBYKSHRM-PLNGDYQASA-N	1	1	411.506	1.930	20	0		HDADMO
CN1CCN(c2ccc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)nn2)CC1	ZINC001164690364	719758082	/nfs/dbraw/zinc/75/80/82/719758082.db2.gz	AZZITTFOBFINNK-HRAATJIYSA-N	1	1	413.501	1.422	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)ccc21	ZINC001164705593	719854695	/nfs/dbraw/zinc/85/46/95/719854695.db2.gz	UQIQPZHTPNUIEA-BTYIYWSLSA-N	1	1	400.479	1.871	20	0		HDADMO
NS(=O)(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1	ZINC001164707517	719900675	/nfs/dbraw/zinc/90/06/75/719900675.db2.gz	SLDHJGWDXLSPEE-UHFFFAOYSA-N	1	1	408.549	1.662	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)N3CCOCC3)cn1)C2	ZINC001164813182	720075249	/nfs/dbraw/zinc/07/52/49/720075249.db2.gz	SXIDBRNHDFCFBZ-NZQKXSOJSA-N	1	1	414.550	1.739	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4[nH]cc(F)c43)C2)C1	ZINC001164719701	720213163	/nfs/dbraw/zinc/21/31/63/720213163.db2.gz	SQICSEHBYFABQL-SFHVURJKSA-N	1	1	410.881	1.415	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4[nH]cc(F)c43)C2)C1	ZINC001164719701	720213168	/nfs/dbraw/zinc/21/31/68/720213168.db2.gz	SQICSEHBYFABQL-SFHVURJKSA-N	1	1	410.881	1.415	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)OC)cc(Cl)n3)C2)C1	ZINC001164718452	720216687	/nfs/dbraw/zinc/21/66/87/720216687.db2.gz	MHPIEWGKWATIHU-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)OC)cc(Cl)n3)C2)C1	ZINC001164718452	720216693	/nfs/dbraw/zinc/21/66/93/720216693.db2.gz	MHPIEWGKWATIHU-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1COC3)CCC2	ZINC001164814001	720217992	/nfs/dbraw/zinc/21/79/92/720217992.db2.gz	QVBQBKLTEQMIBX-UHFFFAOYSA-N	1	1	404.902	1.967	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)OC(C)(C)C)cn3)C2)C1	ZINC001164718660	720249061	/nfs/dbraw/zinc/24/90/61/720249061.db2.gz	GIOZENQWZGMUMZ-QFIPXVFZSA-N	1	1	418.538	1.702	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)OC(C)(C)C)cn3)C2)C1	ZINC001164718660	720249066	/nfs/dbraw/zinc/24/90/66/720249066.db2.gz	GIOZENQWZGMUMZ-QFIPXVFZSA-N	1	1	418.538	1.702	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CNCC3)CC1	ZINC001164819488	720289355	/nfs/dbraw/zinc/28/93/55/720289355.db2.gz	QXOMBABMJKLEER-QZTJIDSGSA-N	1	1	418.973	1.687	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(OC)cc4nc3C)C2)C1	ZINC001164722893	720294609	/nfs/dbraw/zinc/29/46/09/720294609.db2.gz	TUGDKVBJITYNLU-QFIPXVFZSA-N	1	1	413.522	1.612	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(OC)cc4nc3C)C2)C1	ZINC001164722893	720294615	/nfs/dbraw/zinc/29/46/15/720294615.db2.gz	TUGDKVBJITYNLU-QFIPXVFZSA-N	1	1	413.522	1.612	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(N4CCCCCC4)n3)C2)C1	ZINC001164721210	720298701	/nfs/dbraw/zinc/29/87/01/720298701.db2.gz	HSIHUTLVMLSHJA-JOCHJYFZSA-N	1	1	416.570	1.522	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(N4CCCCCC4)n3)C2)C1	ZINC001164721210	720298714	/nfs/dbraw/zinc/29/87/14/720298714.db2.gz	HSIHUTLVMLSHJA-JOCHJYFZSA-N	1	1	416.570	1.522	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccnc(-c4nccs4)n3)C2)C1	ZINC001164720892	720308151	/nfs/dbraw/zinc/30/81/51/720308151.db2.gz	BXPGNPFMZGANFV-LJQANCHMSA-N	1	1	402.524	1.265	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccnc(-c4nccs4)n3)C2)C1	ZINC001164720892	720308156	/nfs/dbraw/zinc/30/81/56/720308156.db2.gz	BXPGNPFMZGANFV-LJQANCHMSA-N	1	1	402.524	1.265	20	0		HDADMO
Cc1nc(CN2CCN(C)C3(CCN(c4ncnc5c4C[NH2+]C5)CC3)C2=O)cs1	ZINC001164826784	720364294	/nfs/dbraw/zinc/36/42/94/720364294.db2.gz	YZYQTNMCEGLVEE-UHFFFAOYSA-N	1	1	413.551	1.158	20	0		HDADMO
O=C(NC1CCOCC1)c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1	ZINC001164734427	720458882	/nfs/dbraw/zinc/45/88/82/720458882.db2.gz	SBBHRUKPWODFEZ-PMACEKPBSA-N	1	1	408.506	1.634	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1	ZINC001164842855	720602845	/nfs/dbraw/zinc/60/28/45/720602845.db2.gz	WBIJUNXNXNJVSQ-YQVWRLOYSA-N	1	1	418.567	1.564	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(S(N)(=O)=O)ccn3)CC[C@@H]21	ZINC001164841588	720625017	/nfs/dbraw/zinc/62/50/17/720625017.db2.gz	TXGVQGQCTBNBJR-RYRKJORJSA-N	1	1	404.540	1.303	20	0		HDADMO
CC(C)(C)OC(=O)Nc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncn1	ZINC001164743084	720642557	/nfs/dbraw/zinc/64/25/57/720642557.db2.gz	OWNMBSJSRQTXHO-HUUCEWRRSA-N	1	1	413.482	1.956	20	0		HDADMO
COC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1OC	ZINC001164838235	720650261	/nfs/dbraw/zinc/65/02/61/720650261.db2.gz	GQLZLPBPBKGLSD-GVDBMIGSSA-N	1	1	414.510	1.846	20	0		HDADMO
CC(C)(C)OC(=O)Nc1nccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164738092	720665075	/nfs/dbraw/zinc/66/50/75/720665075.db2.gz	IJLMVOAOJRUZSP-CABCVRRESA-N	1	1	413.482	1.956	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1OCC	ZINC001164739578	720691440	/nfs/dbraw/zinc/69/14/40/720691440.db2.gz	NUUDFURNWZWQRQ-CVEARBPZSA-N	1	1	413.478	1.789	20	0		HDADMO
COC(=O)c1cc2ccncc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741080	720710568	/nfs/dbraw/zinc/71/05/68/720710568.db2.gz	SPWDHOREMDGUPI-HOTGVXAUSA-N	1	1	406.446	1.548	20	0		HDADMO
COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164740379	720739039	/nfs/dbraw/zinc/73/90/39/720739039.db2.gz	KKDHYMRMTCWVHD-DJSXQKDESA-N	1	1	420.473	1.881	20	0		HDADMO
COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164740378	720739795	/nfs/dbraw/zinc/73/97/95/720739795.db2.gz	KKDHYMRMTCWVHD-CJBXHNHZSA-N	1	1	420.473	1.881	20	0		HDADMO
COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164740381	720740687	/nfs/dbraw/zinc/74/06/87/720740687.db2.gz	KKDHYMRMTCWVHD-QBAOTHAWSA-N	1	1	420.473	1.881	20	0		HDADMO
CCOC(=O)c1cncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164747831	720808546	/nfs/dbraw/zinc/80/85/46/720808546.db2.gz	POVQQTRFGFTSCU-JENIJYKNSA-N	1	1	411.510	1.624	20	0		HDADMO
CCOC(=O)c1cncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164747838	720808692	/nfs/dbraw/zinc/80/86/92/720808692.db2.gz	POVQQTRFGFTSCU-ZHALLVOQSA-N	1	1	411.510	1.624	20	0		HDADMO
COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164744776	720812952	/nfs/dbraw/zinc/81/29/52/720812952.db2.gz	ILHMYZZUXXEDJE-HHXXYDBFSA-N	1	1	414.485	1.978	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)c1	ZINC001164739219	720824104	/nfs/dbraw/zinc/82/41/04/720824104.db2.gz	HUYYWKMVXWTHDB-JENIJYKNSA-N	1	1	414.485	1.978	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cn1	ZINC001164738795	720826294	/nfs/dbraw/zinc/82/62/94/720826294.db2.gz	GSUSEGBFHOXODR-YQVWRLOYSA-N	1	1	411.510	1.624	20	0		HDADMO
CCOC(=O)c1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164744497	720826706	/nfs/dbraw/zinc/82/67/06/720826706.db2.gz	URUSGJGQUSKCLO-YQVWRLOYSA-N	1	1	411.510	1.624	20	0		HDADMO
CCOC(=O)c1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164744499	720826968	/nfs/dbraw/zinc/82/69/68/720826968.db2.gz	URUSGJGQUSKCLO-ZHALLVOQSA-N	1	1	411.510	1.624	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@@H]2C1	ZINC001164850465	720833660	/nfs/dbraw/zinc/83/36/60/720833660.db2.gz	UERMYVBMUQLIST-GOEBONIOSA-N	1	1	410.540	1.549	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4ccc(C(=O)OC)cc43)CC[C@@H]2C1	ZINC001164848600	720839248	/nfs/dbraw/zinc/83/92/48/720839248.db2.gz	ANRUPDNDEIYISY-VQIMIIECSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc4ccc(C(=O)OC)cc4n3)CC[C@@H]2C1	ZINC001164856407	720839637	/nfs/dbraw/zinc/83/96/37/720839637.db2.gz	WEGSXRCHBJKGQB-IEBWSBKVSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cnc4cc(OC)c(OC)cc4n3)CC[C@@H]2C1	ZINC001164849243	720852330	/nfs/dbraw/zinc/85/23/30/720852330.db2.gz	BOSXKNJJRHADMB-FOIQADDNSA-N	1	1	402.495	1.821	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc(Cl)c(C(=O)OC)c3OC)CC[C@H]2C1	ZINC001164862188	720870775	/nfs/dbraw/zinc/87/07/75/720870775.db2.gz	ZKIDVKKICGVBNF-DZGCQCFKSA-N	1	1	413.902	1.704	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CC[C@@H]2C1	ZINC001164864621	720883121	/nfs/dbraw/zinc/88/31/21/720883121.db2.gz	WDYWXIAJHDCAMU-IEBWSBKVSA-N	1	1	424.567	1.040	20	0		HDADMO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCNCC1)[C@H]2C	ZINC001164859676	720980730	/nfs/dbraw/zinc/98/07/30/720980730.db2.gz	LCZVIIAFWMERNF-KRWDZBQOSA-N	1	1	411.554	1.745	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCNCC1)[C@H]2C	ZINC001164859676	720980743	/nfs/dbraw/zinc/98/07/43/720980743.db2.gz	LCZVIIAFWMERNF-KRWDZBQOSA-N	1	1	411.554	1.745	20	0		HDADMO
CN(C)C(=O)NC[C@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]21	ZINC001164758959	721000611	/nfs/dbraw/zinc/00/06/11/721000611.db2.gz	XRUOFWGCZYLYLJ-NSISKUIASA-N	1	1	417.554	1.667	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164868641	721048731	/nfs/dbraw/zinc/04/87/31/721048731.db2.gz	OXQJAROTHMLNPG-GJZGRUSLSA-N	1	1	403.870	1.791	20	0		HDADMO
CCOC(=O)c1cnc(OC)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865199	721080892	/nfs/dbraw/zinc/08/08/92/721080892.db2.gz	JLYWLEJLQJPPNJ-IAGOWNOFSA-N	1	1	413.478	1.537	20	0		HDADMO
O=C(c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCNCC1	ZINC001164865344	721110151	/nfs/dbraw/zinc/11/01/51/721110151.db2.gz	KFGJXYFALPEHEK-VQTJNVASSA-N	1	1	422.533	1.002	20	0		HDADMO
O=C(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCNCC1	ZINC001164865344	721110154	/nfs/dbraw/zinc/11/01/54/721110154.db2.gz	KFGJXYFALPEHEK-VQTJNVASSA-N	1	1	422.533	1.002	20	0		HDADMO
COC(OC)c1c(CO)ccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865933	721120842	/nfs/dbraw/zinc/12/08/42/721120842.db2.gz	QAABBVWNWWAEEP-RTBURBONSA-N	1	1	414.506	1.740	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@@H]3C2)cn1	ZINC001164764228	721137633	/nfs/dbraw/zinc/13/76/33/721137633.db2.gz	HLFRDQMUBGRBQZ-IRXDYDNUSA-N	1	1	417.945	1.658	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001164879420	721143464	/nfs/dbraw/zinc/14/34/64/721143464.db2.gz	RZWUXPYBYHWKDP-MSOLQXFVSA-N	1	1	417.535	1.255	20	0		HDADMO
COC(=O)CSc1cncc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164879883	721162400	/nfs/dbraw/zinc/16/24/00/721162400.db2.gz	UYPNALMRWUPYMP-IRXDYDNUSA-N	1	1	415.519	1.616	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)n2)CC1	ZINC001164879219	721252044	/nfs/dbraw/zinc/25/20/44/721252044.db2.gz	WLJDATURJOJYNN-AQNXPRMDSA-N	1	1	410.522	1.829	20	0		HDADMO
CCOC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164876152	721262618	/nfs/dbraw/zinc/26/26/18/721262618.db2.gz	OFXOZKMKOPMHNU-UHFFFAOYSA-N	1	1	404.511	1.265	20	0		HDADMO
COc1cccc2cnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc21	ZINC001164872947	721275150	/nfs/dbraw/zinc/27/51/50/721275150.db2.gz	JBVURLIOHAFFGG-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1C	ZINC001164873328	721275935	/nfs/dbraw/zinc/27/59/35/721275935.db2.gz	LIPZWANLBMOPRZ-UHFFFAOYSA-N	1	1	418.538	1.574	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccnc(-c4cccnc4)n3)CC2)C1	ZINC001164872428	721277493	/nfs/dbraw/zinc/27/74/93/721277493.db2.gz	CNWYRHIIXCIODI-UHFFFAOYSA-N	1	1	410.522	1.546	20	0		HDADMO
CN(C)C(=O)CN1CCOCC2(CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)C1	ZINC001164872122	721278716	/nfs/dbraw/zinc/27/87/16/721278716.db2.gz	AKUIOFKDUMWRBP-UHFFFAOYSA-N	1	1	401.555	1.689	20	0		HDADMO
COC(=O)c1nccnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164775894	721337644	/nfs/dbraw/zinc/33/76/44/721337644.db2.gz	AMIPRIAUDDPCCB-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1nccnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164775894	721337649	/nfs/dbraw/zinc/33/76/49/721337649.db2.gz	AMIPRIAUDDPCCB-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
Cn1cc(N2C[C@]3(CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C3)CC2=O)cn1	ZINC001164888774	721373290	/nfs/dbraw/zinc/37/32/90/721373290.db2.gz	WSKNGMFFTGKMOW-JOCHJYFZSA-N	1	1	410.522	1.922	20	0		HDADMO
COC(=O)c1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164894567	721383279	/nfs/dbraw/zinc/38/32/79/721383279.db2.gz	ZBEIAYCEBMRSCO-UGKGYDQZSA-N	1	1	402.539	1.942	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164892279	721383403	/nfs/dbraw/zinc/38/34/03/721383403.db2.gz	SRGQUSBVNVDCKC-MGPUTAFESA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C(N)=O)cc(Cl)n4)C3)O2)CC1	ZINC001164890999	721385061	/nfs/dbraw/zinc/38/50/61/721385061.db2.gz	PZDMPEDUPBXBMJ-OXJNMPFZSA-N	1	1	407.946	1.599	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C(N)=O)cc(Cl)n4)C3)O2)CC1	ZINC001164891004	721385156	/nfs/dbraw/zinc/38/51/56/721385156.db2.gz	PZDMPEDUPBXBMJ-UZLBHIALSA-N	1	1	407.946	1.599	20	0		HDADMO
COC(=O)c1ccc(C)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164894637	721387883	/nfs/dbraw/zinc/38/78/83/721387883.db2.gz	ZKTOCGQAJGLCMC-GCJKJVERSA-N	1	1	402.539	1.942	20	0		HDADMO
CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890545	721398246	/nfs/dbraw/zinc/39/82/46/721398246.db2.gz	OCCFCXMPEPWKCC-AVRDEDQJSA-N	1	1	417.554	1.727	20	0		HDADMO
Clc1nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164783413	721398972	/nfs/dbraw/zinc/39/89/72/721398972.db2.gz	HZJLDCXCRMHCMO-BETUJISGSA-N	1	1	407.931	1.386	20	0		HDADMO
Clc1nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164783413	721398976	/nfs/dbraw/zinc/39/89/76/721398976.db2.gz	HZJLDCXCRMHCMO-BETUJISGSA-N	1	1	407.931	1.386	20	0		HDADMO
CCOC(=O)c1cnc(C)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164888543	721399150	/nfs/dbraw/zinc/39/91/50/721399150.db2.gz	KAIMGUCQOVTCRT-PGRDOPGGSA-N	1	1	417.554	1.727	20	0		HDADMO
CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncn1	ZINC001164892288	721399315	/nfs/dbraw/zinc/39/93/15/721399315.db2.gz	SSTGQILFTZJCMG-LAUBAEHRSA-N	1	1	403.527	1.419	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C(N)=O)C3)O2)CC1	ZINC001164888328	721413629	/nfs/dbraw/zinc/41/36/29/721413629.db2.gz	OFYKVLAUEMXBEX-QRWLVFNGSA-N	1	1	407.946	1.599	20	0		HDADMO
COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1C	ZINC001164884463	721419562	/nfs/dbraw/zinc/41/95/62/721419562.db2.gz	DHINTFDDAYVTJO-GCJKJVERSA-N	1	1	402.539	1.942	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164891580	721424885	/nfs/dbraw/zinc/42/48/85/721424885.db2.gz	HBNNZJXESRPJEF-KNQAVFIVSA-N	1	1	417.554	1.348	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccnc(-n5ccccc5=O)n4)C3)O2)CC1	ZINC001164896876	721438976	/nfs/dbraw/zinc/43/89/76/721438976.db2.gz	SHYNGFKZIZKRQY-WMZHIEFXSA-N	1	1	424.549	1.393	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164894929	721445121	/nfs/dbraw/zinc/44/51/21/721445121.db2.gz	NLBBTSLLITZPDP-NQIIRXRSSA-N	1	1	412.542	1.131	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3C[C@H]4COC[C@]4(CC(=O)NCC4CC4)C3)c2)CC1	ZINC001164898960	721484653	/nfs/dbraw/zinc/48/46/53/721484653.db2.gz	XNXQDCIPIKRRPN-MBSDFSHPSA-N	1	1	414.550	1.924	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@H]4COC[C@]4(COc4ncccc4F)C3)n2)CC1	ZINC001164793395	721488224	/nfs/dbraw/zinc/48/82/24/721488224.db2.gz	RNTOXMOSHFIJHC-KKSFZXQISA-N	1	1	414.485	1.294	20	0		HDADMO
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12	ZINC001164806630	721536470	/nfs/dbraw/zinc/53/64/70/721536470.db2.gz	PJPCWZWIAOUFLZ-KNKQGSTJSA-N	1	1	409.538	1.149	20	0		HDADMO
CNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164903051	721543422	/nfs/dbraw/zinc/54/34/22/721543422.db2.gz	BYKUBENGDUGQMC-NVXWUHKLSA-N	1	1	406.483	1.471	20	0		HDADMO
CCOC(=O)Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nn1	ZINC001164806703	721568043	/nfs/dbraw/zinc/56/80/43/721568043.db2.gz	RELMRXIEVUZFQX-DXIQSLLYSA-N	1	1	411.506	1.845	20	0		HDADMO
CCOC(=O)Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nn1	ZINC001164806703	721568046	/nfs/dbraw/zinc/56/80/46/721568046.db2.gz	RELMRXIEVUZFQX-DXIQSLLYSA-N	1	1	411.506	1.845	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1	ZINC001164801150	721584552	/nfs/dbraw/zinc/58/45/52/721584552.db2.gz	DSFVADUEKJZOAB-DYXWJJEUSA-N	1	1	411.506	1.978	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164811524	721590637	/nfs/dbraw/zinc/59/06/37/721590637.db2.gz	YAWTYYGFSUPTOR-RYRKJORJSA-N	1	1	416.913	1.753	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164811524	721590638	/nfs/dbraw/zinc/59/06/38/721590638.db2.gz	YAWTYYGFSUPTOR-RYRKJORJSA-N	1	1	416.913	1.753	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(N)(=O)=O)C[C@H]21	ZINC001165027238	721803116	/nfs/dbraw/zinc/80/31/16/721803116.db2.gz	USJIHMCWEFBNTL-KBAYOESNSA-N	1	1	401.536	1.861	20	0		HDADMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4S(N)(=O)=O)CC3)C2)cc1	ZINC001164939334	721921673	/nfs/dbraw/zinc/92/16/73/721921673.db2.gz	IYGUUSMNMQVHCY-UHFFFAOYSA-N	1	1	416.547	1.909	20	0		HDADMO
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]21	ZINC001164942676	721950777	/nfs/dbraw/zinc/95/07/77/721950777.db2.gz	LSUURCDGESPMRK-ZWKOTPCHSA-N	1	1	400.483	1.008	20	0		HDADMO
CS(=O)(=O)c1nc2c(c(N3CCCC[C@@H]3CCN3CCCC3)n1)CC[NH2+]CC2	ZINC001165048275	721965028	/nfs/dbraw/zinc/96/50/28/721965028.db2.gz	YBTLXZCYXLFHNN-MRXNPFEDSA-N	1	1	407.584	1.413	20	0		HDADMO
O=C1COc2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2N1	ZINC001164946063	721975066	/nfs/dbraw/zinc/97/50/66/721975066.db2.gz	JFWBVZTYVLJNBG-UHFFFAOYSA-N	1	1	407.474	1.384	20	0		HDADMO
O=C1COc2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2N1	ZINC001164946063	721975068	/nfs/dbraw/zinc/97/50/68/721975068.db2.gz	JFWBVZTYVLJNBG-UHFFFAOYSA-N	1	1	407.474	1.384	20	0		HDADMO
Cc1ccc(N(c2cccc(N3CCN(C)CC3)n2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001164957545	722025527	/nfs/dbraw/zinc/02/55/27/722025527.db2.gz	CGIZGSVLWDCDHJ-CVDCTZTESA-N	1	1	423.565	1.981	20	0		HDADMO
NC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(C2CC2)n1	ZINC001164964406	722062533	/nfs/dbraw/zinc/06/25/33/722062533.db2.gz	GKHIKVHZYMYDOI-UHFFFAOYSA-N	1	1	422.533	1.967	20	0		HDADMO
CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967784	722072949	/nfs/dbraw/zinc/07/29/49/722072949.db2.gz	WGVCTXWMZWXQLQ-OKILXGFUSA-N	1	1	420.901	1.342	20	0		HDADMO
Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CNCC2	ZINC001164985998	722100225	/nfs/dbraw/zinc/10/02/25/722100225.db2.gz	XQWRGKLQOHOBMZ-LPHOPBHVSA-N	1	1	414.941	1.898	20	0		HDADMO
Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CNCC2	ZINC001164985998	722100228	/nfs/dbraw/zinc/10/02/28/722100228.db2.gz	XQWRGKLQOHOBMZ-LPHOPBHVSA-N	1	1	414.941	1.898	20	0		HDADMO
NC(=O)c1cnc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164981272	722107150	/nfs/dbraw/zinc/10/71/50/722107150.db2.gz	KXPCTLHGIXQQDQ-GDBMZVCRSA-N	1	1	402.886	1.351	20	0		HDADMO
COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12	ZINC001164983072	722126419	/nfs/dbraw/zinc/12/64/19/722126419.db2.gz	XXGRPZCUOGYKBN-WMZOPIPTSA-N	1	1	422.489	1.867	20	0		HDADMO
CN1CCN(c2nccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1	ZINC001164978902	722149724	/nfs/dbraw/zinc/14/97/24/722149724.db2.gz	KRHGRMNBNJXEOD-LEWJYISDSA-N	1	1	423.565	1.351	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)n1	ZINC001164971692	722158004	/nfs/dbraw/zinc/15/80/04/722158004.db2.gz	DACJLNKZOZZCOM-IEBWSBKVSA-N	1	1	408.506	1.575	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164997211	722234223	/nfs/dbraw/zinc/23/42/23/722234223.db2.gz	NZDKJCKKXLODDD-UHFFFAOYSA-N	1	1	422.537	1.225	20	0		HDADMO
CN1CCN(Cc2cccc(C(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)c2)CC1	ZINC000673637598	1073466059	/nfs/dbraw/zinc/46/60/59/1073466059.db2.gz	NUNNWHLJPVVIPX-UHFFFAOYSA-N	1	1	423.561	1.978	20	0		HDADMO
O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000429049281	1073469058	/nfs/dbraw/zinc/46/90/58/1073469058.db2.gz	UMUKNXZUYGINAD-VXKWHMMOSA-N	1	1	416.566	1.641	20	0		HDADMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000429049281	1073469063	/nfs/dbraw/zinc/46/90/63/1073469063.db2.gz	UMUKNXZUYGINAD-VXKWHMMOSA-N	1	1	416.566	1.641	20	0		HDADMO
C[C@H]1C[N@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C[C@@H]1O	ZINC000509078332	1073480921	/nfs/dbraw/zinc/48/09/21/1073480921.db2.gz	AETJVFAGJZZQBE-KXBFYZLASA-N	1	1	407.536	1.063	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C[C@@H]1O	ZINC000509078332	1073480927	/nfs/dbraw/zinc/48/09/27/1073480927.db2.gz	AETJVFAGJZZQBE-KXBFYZLASA-N	1	1	407.536	1.063	20	0		HDADMO
Cc1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000021847057	1073505522	/nfs/dbraw/zinc/50/55/22/1073505522.db2.gz	HJLPLQTUZRQOFN-UHFFFAOYSA-N	1	1	422.551	1.305	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCOc1ncccc1F	ZINC000429073012	1073515637	/nfs/dbraw/zinc/51/56/37/1073515637.db2.gz	HZANRTIJNYFUEA-INIZCTEOSA-N	1	1	402.474	1.504	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625183261	1073543134	/nfs/dbraw/zinc/54/31/34/1073543134.db2.gz	MEHZOFPVPPKVMD-GJZGRUSLSA-N	1	1	401.554	1.128	20	0		HDADMO
CN1CCN(Cc2cccc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)c2)CC1	ZINC000673650313	1073544100	/nfs/dbraw/zinc/54/41/00/1073544100.db2.gz	MOXNAVAVXGCIGX-JOCHJYFZSA-N	1	1	400.567	1.761	20	0		HDADMO
CN1CCN(Cc2cccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)c2)CC1	ZINC000673650313	1073544114	/nfs/dbraw/zinc/54/41/14/1073544114.db2.gz	MOXNAVAVXGCIGX-JOCHJYFZSA-N	1	1	400.567	1.761	20	0		HDADMO
CNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCCn2cc[nH+]c2C)CC1	ZINC001299282490	1073545926	/nfs/dbraw/zinc/54/59/26/1073545926.db2.gz	MFBSYLAIAJLTEE-UHFFFAOYSA-N	1	1	402.547	1.923	20	0		HDADMO
O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625188600	1073553272	/nfs/dbraw/zinc/55/32/72/1073553272.db2.gz	JVTQPMBTGMQPOS-SFHVURJKSA-N	1	1	400.479	1.065	20	0		HDADMO
CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)CC2)CC1	ZINC000673665397	1073618134	/nfs/dbraw/zinc/61/81/34/1073618134.db2.gz	KCDWRRMLVFVNLR-NRFANRHFSA-N	1	1	413.566	1.449	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1	ZINC000673670091	1073624644	/nfs/dbraw/zinc/62/46/44/1073624644.db2.gz	ZFPFRFBDFFBYCO-IEBWSBKVSA-N	1	1	405.587	1.635	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1	ZINC000673670091	1073624647	/nfs/dbraw/zinc/62/46/47/1073624647.db2.gz	ZFPFRFBDFFBYCO-IEBWSBKVSA-N	1	1	405.587	1.635	20	0		HDADMO
O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673679325	1073632956	/nfs/dbraw/zinc/63/29/56/1073632956.db2.gz	YBJVXUOBXLYXES-PZJWPPBQSA-N	1	1	408.502	1.842	20	0		HDADMO
O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[C@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673679325	1073632963	/nfs/dbraw/zinc/63/29/63/1073632963.db2.gz	YBJVXUOBXLYXES-PZJWPPBQSA-N	1	1	408.502	1.842	20	0		HDADMO
Cc1[nH]nc(C(F)(F)F)c1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000673737945	1073671158	/nfs/dbraw/zinc/67/11/58/1073671158.db2.gz	WVGAWRYILOXSCR-UHFFFAOYSA-N	1	1	409.412	1.811	20	0		HDADMO
C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673741357	1073674360	/nfs/dbraw/zinc/67/43/60/1073674360.db2.gz	WMGCGALITNZKSD-WBVHZDCISA-N	1	1	412.538	1.308	20	0		HDADMO
C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673741357	1073674363	/nfs/dbraw/zinc/67/43/63/1073674363.db2.gz	WMGCGALITNZKSD-WBVHZDCISA-N	1	1	412.538	1.308	20	0		HDADMO
Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cn1C	ZINC000673751935	1073685839	/nfs/dbraw/zinc/68/58/39/1073685839.db2.gz	UXCGCLLBSUICJA-INIZCTEOSA-N	1	1	419.551	1.130	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000673753668	1073686275	/nfs/dbraw/zinc/68/62/75/1073686275.db2.gz	OYZWRUYBKWZIKU-GOSISDBHSA-N	1	1	416.547	1.825	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	ZINC000673752851	1073687545	/nfs/dbraw/zinc/68/75/45/1073687545.db2.gz	ZQNVPTJSDZVGFT-MRXNPFEDSA-N	1	1	421.501	1.369	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O	ZINC000673758229	1073692862	/nfs/dbraw/zinc/69/28/62/1073692862.db2.gz	XFUNTPAPOSORGT-HNNXBMFYSA-N	1	1	411.506	1.645	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000673750728	1073694273	/nfs/dbraw/zinc/69/42/73/1073694273.db2.gz	FEBWKSBYQUBXPJ-PXNSSMCTSA-N	1	1	400.523	1.237	20	0		HDADMO
C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673758485	1073698201	/nfs/dbraw/zinc/69/82/01/1073698201.db2.gz	RJVWUQYIQHUFGK-HBFSDRIKSA-N	1	1	407.580	1.617	20	0		HDADMO
C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000673758485	1073698207	/nfs/dbraw/zinc/69/82/07/1073698207.db2.gz	RJVWUQYIQHUFGK-HBFSDRIKSA-N	1	1	407.580	1.617	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)CC1	ZINC000673762116	1073702328	/nfs/dbraw/zinc/70/23/28/1073702328.db2.gz	KLTXXZBLPDHMLM-UHFFFAOYSA-N	1	1	413.522	1.381	20	0		HDADMO
CCC[N@@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)CC(N)=O	ZINC000429127675	1073709708	/nfs/dbraw/zinc/70/97/08/1073709708.db2.gz	KXNCQIHNAICRTN-UHFFFAOYSA-N	1	1	404.920	1.116	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1	ZINC000429126028	1073713173	/nfs/dbraw/zinc/71/31/73/1073713173.db2.gz	GYNTVJMGXYRFOF-GOSISDBHSA-N	1	1	404.511	1.780	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCc2cn3cccc(C)c3n2)CC1	ZINC000673770102	1073714231	/nfs/dbraw/zinc/71/42/31/1073714231.db2.gz	YAUFPJURSDHEKW-UHFFFAOYSA-N	1	1	400.527	1.475	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC1CCS(=O)(=O)CC1	ZINC000509144341	1073720605	/nfs/dbraw/zinc/72/06/05/1073720605.db2.gz	YGJGPEWEGZATPI-GOSISDBHSA-N	1	1	422.595	1.711	20	0		HDADMO
COC[C@]1(C)NC(=O)N(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)C1=O	ZINC000766029511	1073732849	/nfs/dbraw/zinc/73/28/49/1073732849.db2.gz	BCPCBRNRJJZPFB-NRFANRHFSA-N	1	1	405.495	1.851	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000429134467	1073737805	/nfs/dbraw/zinc/73/78/05/1073737805.db2.gz	KFKJTJCDBGOXSW-DLBZAZTESA-N	1	1	411.572	1.123	20	0		HDADMO
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000673800834	1073748946	/nfs/dbraw/zinc/74/89/46/1073748946.db2.gz	CHZZBRUJOPSZCH-CTNGQTDRSA-N	1	1	405.564	1.925	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1	ZINC000429137053	1073750331	/nfs/dbraw/zinc/75/03/31/1073750331.db2.gz	AXPUVJHXHZFUGH-APWZRJJASA-N	1	1	408.568	1.620	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1	ZINC000429137060	1073750816	/nfs/dbraw/zinc/75/08/16/1073750816.db2.gz	AXPUVJHXHZFUGH-QFBILLFUSA-N	1	1	408.568	1.620	20	0		HDADMO
O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000673810384	1073754619	/nfs/dbraw/zinc/75/46/19/1073754619.db2.gz	XVBAGOUDDYGIPR-FUHWJXTLSA-N	1	1	400.479	1.220	20	0		HDADMO
CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(Cc3nc4ccccc4s3)CC2)CC1	ZINC000216211391	1073768997	/nfs/dbraw/zinc/76/89/97/1073768997.db2.gz	DKSNYXKSYPJSRT-QGZVFWFLSA-N	1	1	401.580	1.967	20	0		HDADMO
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)CC[N@@H+](C)C1CCCCC1	ZINC000057177707	1073796430	/nfs/dbraw/zinc/79/64/30/1073796430.db2.gz	ZNSUFMXNZIRMNX-UHFFFAOYSA-N	1	1	419.570	1.570	20	0		HDADMO
COC(=O)c1cccc(CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1	ZINC000509162959	1073808287	/nfs/dbraw/zinc/80/82/87/1073808287.db2.gz	DMIIZYBYNPUSFZ-GOSISDBHSA-N	1	1	404.511	1.258	20	0		HDADMO
CN(C)c1nc(CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cs1	ZINC000673849415	1073815275	/nfs/dbraw/zinc/81/52/75/1073815275.db2.gz	SEKQXWMCRBXVBU-UHFFFAOYSA-N	1	1	406.531	1.970	20	0		HDADMO
COCCCS(=O)(=O)NCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1	ZINC000673856459	1073823804	/nfs/dbraw/zinc/82/38/04/1073823804.db2.gz	KICAALDIZUZHKA-UHFFFAOYSA-N	1	1	408.524	1.872	20	0		HDADMO
COC(=O)[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1	ZINC000029634951	1073845621	/nfs/dbraw/zinc/84/56/21/1073845621.db2.gz	FEOMCTPAWAGSJI-OAQYLSRUSA-N	1	1	409.486	1.771	20	0		HDADMO
CN(C)c1nc(CNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cs1	ZINC000673881022	1073853400	/nfs/dbraw/zinc/85/34/00/1073853400.db2.gz	KOWOLUMKXCHUMH-UHFFFAOYSA-N	1	1	408.572	1.295	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)CC1=O	ZINC001299288679	1073875320	/nfs/dbraw/zinc/87/53/20/1073875320.db2.gz	ATCKTHSGMMXPRY-IDHHARJASA-N	1	1	400.479	1.183	20	0		HDADMO
CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000673908194	1073876648	/nfs/dbraw/zinc/87/66/48/1073876648.db2.gz	OVYYIKMDLOHIOT-SFHVURJKSA-N	1	1	411.568	1.454	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3csc(-c4ccco4)n3)CC2)C1	ZINC000673928196	1073898097	/nfs/dbraw/zinc/89/80/97/1073898097.db2.gz	FSTXAEIPSONDQJ-INIZCTEOSA-N	1	1	417.535	1.258	20	0		HDADMO
CNC(=O)c1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1	ZINC000029930891	1073899700	/nfs/dbraw/zinc/89/97/00/1073899700.db2.gz	OPQOBMGLBINWTK-UHFFFAOYSA-N	1	1	423.517	1.854	20	0		HDADMO
CNC(=O)c1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1	ZINC000029930891	1073899708	/nfs/dbraw/zinc/89/97/08/1073899708.db2.gz	OPQOBMGLBINWTK-UHFFFAOYSA-N	1	1	423.517	1.854	20	0		HDADMO
C[C@](O)(CNC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C[NH+]1CCOCC1	ZINC000429167044	1073910653	/nfs/dbraw/zinc/91/06/53/1073910653.db2.gz	XZVQLHVYEXCLDE-HJNYFJLDSA-N	1	1	423.529	1.282	20	0		HDADMO
CS(=O)(=O)Nc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1	ZINC001128561545	1073911608	/nfs/dbraw/zinc/91/16/08/1073911608.db2.gz	ZDQLWANUJAFANZ-HDICACEKSA-N	1	1	400.504	1.657	20	0		HDADMO
CS(=O)(=O)Nc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1	ZINC001128561545	1073911613	/nfs/dbraw/zinc/91/16/13/1073911613.db2.gz	ZDQLWANUJAFANZ-HDICACEKSA-N	1	1	400.504	1.657	20	0		HDADMO
O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000030289804	1073924522	/nfs/dbraw/zinc/92/45/22/1073924522.db2.gz	ZZFAIKPJVXYYRY-QGZVFWFLSA-N	1	1	401.488	1.379	20	0		HDADMO
CC(C)C[C@H](CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCOCC1	ZINC000026063906	1073928233	/nfs/dbraw/zinc/92/82/33/1073928233.db2.gz	DVLHXYHUMYPWCU-QGZVFWFLSA-N	1	1	416.522	1.615	20	0		HDADMO
CSc1nc2nc(C)c(CC(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)c(C)n2n1	ZINC000026068233	1073929953	/nfs/dbraw/zinc/92/99/53/1073929953.db2.gz	JYQKAVPUOWCTNN-MRXNPFEDSA-N	1	1	420.583	1.869	20	0		HDADMO
COC[C@H](NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)c1ccc(F)cc1	ZINC000466567685	1073955052	/nfs/dbraw/zinc/95/50/52/1073955052.db2.gz	STPWJIUILBJBHX-RTWAWAEBSA-N	1	1	422.545	1.950	20	0		HDADMO
Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)n1	ZINC001005011263	1073964920	/nfs/dbraw/zinc/96/49/20/1073964920.db2.gz	MVXDLDXCCHAODX-RXABAKJHSA-N	1	1	400.523	1.588	20	0		HDADMO
Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)n1	ZINC001005011263	1073964925	/nfs/dbraw/zinc/96/49/25/1073964925.db2.gz	MVXDLDXCCHAODX-RXABAKJHSA-N	1	1	400.523	1.588	20	0		HDADMO
COCCCOc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1	ZINC000509183664	1073969139	/nfs/dbraw/zinc/96/91/39/1073969139.db2.gz	KGSRJWMADFUZGE-HXUWFJFHSA-N	1	1	418.538	1.550	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O	ZINC000466574821	1073993129	/nfs/dbraw/zinc/99/31/29/1073993129.db2.gz	QFVBPEJCZOJUTJ-YZGWKJHDSA-N	1	1	401.555	1.931	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1	ZINC000673985737	1074000228	/nfs/dbraw/zinc/00/02/28/1074000228.db2.gz	OVZNCEKDAWRSNW-MJGOQNOKSA-N	1	1	418.538	1.789	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1	ZINC000673985735	1074000353	/nfs/dbraw/zinc/00/03/53/1074000353.db2.gz	OVZNCEKDAWRSNW-IEBWSBKVSA-N	1	1	418.538	1.789	20	0		HDADMO
COCCOc1ccc(Cl)cc1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000673989975	1074011923	/nfs/dbraw/zinc/01/19/23/1074011923.db2.gz	YLFRUANZZBRVCW-KRWDZBQOSA-N	1	1	409.914	1.920	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn3ccc(Br)cc3n2)C1	ZINC000509192245	1074027967	/nfs/dbraw/zinc/02/79/67/1074027967.db2.gz	AWCICTFEVBGXPN-LBPRGKRZSA-N	1	1	408.300	1.414	20	0		HDADMO
CC[N@@H+](CCC1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1)CC1CC1	ZINC000429191652	1074032325	/nfs/dbraw/zinc/03/23/25/1074032325.db2.gz	DQPCTHKFERHNFX-UHFFFAOYSA-N	1	1	417.620	1.362	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(OC)c1	ZINC000058578114	1074041166	/nfs/dbraw/zinc/04/11/66/1074041166.db2.gz	CGPFVEOEMFCMEH-OAHLLOKOSA-N	1	1	420.428	1.792	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCN(CC(F)(F)F)CC2)c(OC)c1	ZINC000058578114	1074041172	/nfs/dbraw/zinc/04/11/72/1074041172.db2.gz	CGPFVEOEMFCMEH-OAHLLOKOSA-N	1	1	420.428	1.792	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CCO1	ZINC001649123445	1074048306	/nfs/dbraw/zinc/04/83/06/1074048306.db2.gz	VZUYMLNBAMUBDT-WTIAFYNJSA-N	1	1	416.518	1.706	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	ZINC000674014875	1074065890	/nfs/dbraw/zinc/06/58/90/1074065890.db2.gz	GSSIYICBDCWRIY-IBGZPJMESA-N	1	1	410.522	1.485	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000509205721	1074099631	/nfs/dbraw/zinc/09/96/31/1074099631.db2.gz	NNBRYXQFTKWAPJ-QAPCUYQASA-N	1	1	415.581	1.432	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C(=O)N1c1cnn(C)c1	ZINC000674033471	1074101612	/nfs/dbraw/zinc/10/16/12/1074101612.db2.gz	KVIMROYRANWWSH-KBXCAEBGSA-N	1	1	402.474	1.484	20	0		HDADMO
COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1	ZINC000543558771	1074102687	/nfs/dbraw/zinc/10/26/87/1074102687.db2.gz	IWHKOBQSFFKODX-MRXNPFEDSA-N	1	1	416.522	1.255	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1nccs1	ZINC000543569663	1074132771	/nfs/dbraw/zinc/13/27/71/1074132771.db2.gz	RCHXDWXJJQNOOK-HNNXBMFYSA-N	1	1	402.520	1.876	20	0		HDADMO
C[C@H](NC(=O)[C@H](C)[N@H+]1CCC2(CCOCC2)[C@H]1C)c1ccc(S(N)(=O)=O)cc1	ZINC000543575157	1074146557	/nfs/dbraw/zinc/14/65/57/1074146557.db2.gz	YBMGDFOBNFYTJP-HRCADAONSA-N	1	1	409.552	1.791	20	0		HDADMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429217120	1074158967	/nfs/dbraw/zinc/15/89/67/1074158967.db2.gz	FKLHFONZPGTTRQ-AWEZNQCLSA-N	1	1	402.499	2.009	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC000674135773	1074193179	/nfs/dbraw/zinc/19/31/79/1074193179.db2.gz	FJIOZMGCCKJLPT-JXFKEZNVSA-N	1	1	417.531	1.740	20	0		HDADMO
CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674149902	1074198593	/nfs/dbraw/zinc/19/85/93/1074198593.db2.gz	JRGVNMLYBCHLOE-RBUKOAKNSA-N	1	1	408.568	1.622	20	0		HDADMO
CC[C@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1nnc2n1CCCCC2	ZINC000674169252	1074201891	/nfs/dbraw/zinc/20/18/91/1074201891.db2.gz	PHHZSAYJOMAIPE-ROUUACIJSA-N	1	1	403.575	1.877	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC2)nc(C)n1	ZINC000674188598	1074203278	/nfs/dbraw/zinc/20/32/78/1074203278.db2.gz	VREFIFADBOUAEW-LJQANCHMSA-N	1	1	402.543	1.568	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)N3CCN(C[C@H]4CCCO4)CC3)CC2)nc(C)[nH+]1	ZINC000674188598	1074203279	/nfs/dbraw/zinc/20/32/79/1074203279.db2.gz	VREFIFADBOUAEW-LJQANCHMSA-N	1	1	402.543	1.568	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1	ZINC000674224723	1074233170	/nfs/dbraw/zinc/23/31/70/1074233170.db2.gz	HJIYYCQPMLLPCN-LAUBAEHRSA-N	1	1	422.529	1.940	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1	ZINC000674225958	1074233554	/nfs/dbraw/zinc/23/35/54/1074233554.db2.gz	NVEZLLGMGLXSRS-IFXJQAMLSA-N	1	1	412.465	1.890	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)Cc3ccncc3)cc2)CC1	ZINC000674229671	1074235623	/nfs/dbraw/zinc/23/56/23/1074235623.db2.gz	JUYKCKVXPVVUFZ-KRWDZBQOSA-N	1	1	423.517	1.545	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1	ZINC001545674892	1074237841	/nfs/dbraw/zinc/23/78/41/1074237841.db2.gz	MYXXCGAPSUXWGB-SJLPKXTDSA-N	1	1	420.583	1.618	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C	ZINC000429224365	1074244632	/nfs/dbraw/zinc/24/46/32/1074244632.db2.gz	BIYOADWPKWYHCF-ROUUACIJSA-N	1	1	412.513	1.864	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C	ZINC000429224365	1074244637	/nfs/dbraw/zinc/24/46/37/1074244637.db2.gz	BIYOADWPKWYHCF-ROUUACIJSA-N	1	1	412.513	1.864	20	0		HDADMO
C[N@H+]1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@@H]1c1ccccc1	ZINC000429224612	1074245812	/nfs/dbraw/zinc/24/58/12/1074245812.db2.gz	YJPKBDGWXOEELV-LIRRHRJNSA-N	1	1	408.462	1.944	20	0		HDADMO
CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000674268390	1074249643	/nfs/dbraw/zinc/24/96/43/1074249643.db2.gz	BKGXTKOJAIOFGE-KRWDZBQOSA-N	1	1	416.522	1.860	20	0		HDADMO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1	ZINC000674290249	1074256989	/nfs/dbraw/zinc/25/69/89/1074256989.db2.gz	MBKFBOZGEVINSV-UHFFFAOYSA-N	1	1	405.543	1.935	20	0		HDADMO
CN(C[C@@H](O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000674316832	1074265637	/nfs/dbraw/zinc/26/56/37/1074265637.db2.gz	DFGOOBATLKQPGB-GOSISDBHSA-N	1	1	410.540	1.247	20	0		HDADMO
CN(C[C@@H](O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000674316832	1074265639	/nfs/dbraw/zinc/26/56/39/1074265639.db2.gz	DFGOOBATLKQPGB-GOSISDBHSA-N	1	1	410.540	1.247	20	0		HDADMO
COC1CCN(CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1	ZINC000674321631	1074271360	/nfs/dbraw/zinc/27/13/60/1074271360.db2.gz	YSBQOZCYKOFYIP-UHFFFAOYSA-N	1	1	402.539	1.490	20	0		HDADMO
COC1CC[NH+](CCNC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC1	ZINC000674328132	1074276869	/nfs/dbraw/zinc/27/68/69/1074276869.db2.gz	MGIPWHWJOCWHSJ-NRFANRHFSA-N	1	1	403.571	1.385	20	0		HDADMO
Cc1cc(C)cc(CCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1	ZINC000509223903	1074278524	/nfs/dbraw/zinc/27/85/24/1074278524.db2.gz	KUHWPJVZSXDVPD-JOCHJYFZSA-N	1	1	409.530	1.845	20	0		HDADMO
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1	ZINC000674329942	1074279059	/nfs/dbraw/zinc/27/90/59/1074279059.db2.gz	VGROLBGSNMXBOF-NRFANRHFSA-N	1	1	409.619	1.450	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccoc3C)cc2)CC1	ZINC000674320926	1074282417	/nfs/dbraw/zinc/28/24/17/1074282417.db2.gz	ULDZULRXXOLMJQ-UHFFFAOYSA-N	1	1	412.490	1.550	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-c2nc(C3CC3)no2)cc1	ZINC000674360799	1074292157	/nfs/dbraw/zinc/29/21/57/1074292157.db2.gz	ZLWGJXXTBXDUKU-LJQANCHMSA-N	1	1	411.506	1.750	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CCOc3cccc(C(N)=O)c3)cc2)CC1	ZINC000674359466	1074292232	/nfs/dbraw/zinc/29/22/32/1074292232.db2.gz	XQPRIXRGAVLLBU-UHFFFAOYSA-N	1	1	424.501	1.971	20	0		HDADMO
CN(C)S(=O)(=O)N1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1	ZINC000674368661	1074298178	/nfs/dbraw/zinc/29/81/78/1074298178.db2.gz	JMDALHLCNZDEQR-UHFFFAOYSA-N	1	1	408.446	1.458	20	0		HDADMO
CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C	ZINC001273133708	1074306740	/nfs/dbraw/zinc/30/67/40/1074306740.db2.gz	NNOURARPSCQJPB-IAGOWNOFSA-N	1	1	411.568	1.997	20	0		HDADMO
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC3(CN4CCOCC4)CCCCC3)CC2)C1	ZINC000674403701	1074315320	/nfs/dbraw/zinc/31/53/20/1074315320.db2.gz	IHJDYXVYGZAEMQ-OAQYLSRUSA-N	1	1	421.630	1.691	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC3(CN4CCOCC4)CCCCC3)CC2)C1	ZINC000674403701	1074315329	/nfs/dbraw/zinc/31/53/29/1074315329.db2.gz	IHJDYXVYGZAEMQ-OAQYLSRUSA-N	1	1	421.630	1.691	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000674427957	1074330719	/nfs/dbraw/zinc/33/07/19/1074330719.db2.gz	CQRYNAVYECXNQF-LJQANCHMSA-N	1	1	408.568	1.576	20	0		HDADMO
COc1cc(NC(=O)CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(OC)c1	ZINC000674434837	1074333294	/nfs/dbraw/zinc/33/32/94/1074333294.db2.gz	NLZTVADYSBSRDK-HNNXBMFYSA-N	1	1	419.526	1.110	20	0		HDADMO
COc1cc(NC(=O)CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(OC)c1	ZINC000674434837	1074333303	/nfs/dbraw/zinc/33/33/03/1074333303.db2.gz	NLZTVADYSBSRDK-HNNXBMFYSA-N	1	1	419.526	1.110	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N(C)CCN2CCCS2(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000674439981	1074338699	/nfs/dbraw/zinc/33/86/99/1074338699.db2.gz	LMCSNWKNCXYYBX-MJGOQNOKSA-N	1	1	408.568	1.716	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000674430763	1074342104	/nfs/dbraw/zinc/34/21/04/1074342104.db2.gz	JIUNYRQBWJTIEU-IBGZPJMESA-N	1	1	408.568	1.228	20	0		HDADMO
C[C@H](CNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1	ZINC000674432031	1074342532	/nfs/dbraw/zinc/34/25/32/1074342532.db2.gz	GEQWKDKXGNHVPG-LDBYXDLTSA-N	1	1	401.511	1.527	20	0		HDADMO
C[C@H](CNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1	ZINC000674432030	1074342638	/nfs/dbraw/zinc/34/26/38/1074342638.db2.gz	GEQWKDKXGNHVPG-KUDFPVQQSA-N	1	1	401.511	1.527	20	0		HDADMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1	ZINC000674433176	1074343315	/nfs/dbraw/zinc/34/33/15/1074343315.db2.gz	SPEBQMQXODGWHQ-WHSLLNHNSA-N	1	1	407.559	1.907	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CCN2C1=O	ZINC000674468546	1074367433	/nfs/dbraw/zinc/36/74/33/1074367433.db2.gz	PUSFQYVMZIQEFF-QGZVFWFLSA-N	1	1	404.486	1.921	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CCN2C1=O	ZINC000674468546	1074367438	/nfs/dbraw/zinc/36/74/38/1074367438.db2.gz	PUSFQYVMZIQEFF-QGZVFWFLSA-N	1	1	404.486	1.921	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1	ZINC000674504973	1074402976	/nfs/dbraw/zinc/40/29/76/1074402976.db2.gz	XACSQRLRMLCNDA-HOTGVXAUSA-N	1	1	409.552	1.937	20	0		HDADMO
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1	ZINC000674498807	1074409811	/nfs/dbraw/zinc/40/98/11/1074409811.db2.gz	VPNOYDBZFBXLCP-ORYQWCPZSA-N	1	1	411.502	1.886	20	0		HDADMO
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1	ZINC000674498807	1074409818	/nfs/dbraw/zinc/40/98/18/1074409818.db2.gz	VPNOYDBZFBXLCP-ORYQWCPZSA-N	1	1	411.502	1.886	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)C[C@@H]2C)CC1	ZINC000674535404	1074424755	/nfs/dbraw/zinc/42/47/55/1074424755.db2.gz	BZMHVDJEFJHRJN-KVSKMBFKSA-N	1	1	404.511	1.045	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)C3CC[NH+](Cc4csc(C)n4)CC3)CCN2C1=O	ZINC000674541070	1074429886	/nfs/dbraw/zinc/42/98/86/1074429886.db2.gz	HDLHAKWXDNQURI-INIZCTEOSA-N	1	1	405.524	1.158	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1nc(C(F)(F)F)cs1	ZINC000674582088	1074460633	/nfs/dbraw/zinc/46/06/33/1074460633.db2.gz	FQAZEKBADFMJDL-MNOVXSKESA-N	1	1	422.473	1.643	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1nc(C(F)(F)F)cs1	ZINC000674582088	1074460638	/nfs/dbraw/zinc/46/06/38/1074460638.db2.gz	FQAZEKBADFMJDL-MNOVXSKESA-N	1	1	422.473	1.643	20	0		HDADMO
CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)c1nc(C(F)(F)F)cs1	ZINC000674607888	1074477943	/nfs/dbraw/zinc/47/79/43/1074477943.db2.gz	FKZJVMLTAPJJAI-OUAUKWLOSA-N	1	1	408.446	1.565	20	0		HDADMO
CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)c1nc(C(F)(F)F)cs1	ZINC000674607888	1074477948	/nfs/dbraw/zinc/47/79/48/1074477948.db2.gz	FKZJVMLTAPJJAI-OUAUKWLOSA-N	1	1	408.446	1.565	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC[C@H](C)[N@@H+]1CCc3sccc3C1)CC2	ZINC000674615691	1074486444	/nfs/dbraw/zinc/48/64/44/1074486444.db2.gz	RHVXMFWGGWDJLM-AWEZNQCLSA-N	1	1	401.536	1.839	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC[C@H](C)[N@H+]1CCc3sccc3C1)CC2	ZINC000674615691	1074486447	/nfs/dbraw/zinc/48/64/47/1074486447.db2.gz	RHVXMFWGGWDJLM-AWEZNQCLSA-N	1	1	401.536	1.839	20	0		HDADMO
O=C(NCc1c(F)cccc1OC(F)F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674632149	1074496113	/nfs/dbraw/zinc/49/61/13/1074496113.db2.gz	ZRFFXWDRMSIGCP-CQSZACIVSA-N	1	1	416.444	1.633	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1=O	ZINC000674643039	1074502050	/nfs/dbraw/zinc/50/20/50/1074502050.db2.gz	MUWRQSPPJMJABR-HMFYCAOWSA-N	1	1	413.522	1.623	20	0		HDADMO
COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1	ZINC000766063022	1074510900	/nfs/dbraw/zinc/51/09/00/1074510900.db2.gz	YNECZGPDENGQGW-LJQANCHMSA-N	1	1	409.914	1.421	20	0		HDADMO
Cc1cc(C)cc(CCNC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1	ZINC000509233461	1074519292	/nfs/dbraw/zinc/51/92/92/1074519292.db2.gz	OETVHPSUZOVWDN-UHFFFAOYSA-N	1	1	414.594	1.979	20	0		HDADMO
CC(C)CN(C(=O)C[N@@H+]1CCCC[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674714140	1074532992	/nfs/dbraw/zinc/53/29/92/1074532992.db2.gz	MWMLFQZXYGKJGN-OAHLLOKOSA-N	1	1	409.531	1.023	20	0		HDADMO
CC(C)CN(C(=O)C[N@H+]1CCCC[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674714140	1074532997	/nfs/dbraw/zinc/53/29/97/1074532997.db2.gz	MWMLFQZXYGKJGN-OAHLLOKOSA-N	1	1	409.531	1.023	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc(OC)c1	ZINC000674774150	1074552266	/nfs/dbraw/zinc/55/22/66/1074552266.db2.gz	QVWAQRGZJPLHDR-QGZVFWFLSA-N	1	1	404.511	1.636	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc(OC)c1	ZINC000674774150	1074552277	/nfs/dbraw/zinc/55/22/77/1074552277.db2.gz	QVWAQRGZJPLHDR-QGZVFWFLSA-N	1	1	404.511	1.636	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000674764321	1074557531	/nfs/dbraw/zinc/55/75/31/1074557531.db2.gz	AAUWCUHMZGUUBI-IBGZPJMESA-N	1	1	413.522	1.887	20	0		HDADMO
COc1ccc(-c2csc(NC(=O)CN3CC[NH+](CCO)CC3)n2)c(OC)c1	ZINC000674766021	1074560040	/nfs/dbraw/zinc/56/00/40/1074560040.db2.gz	HIGSETCFLWTZTN-UHFFFAOYSA-N	1	1	406.508	1.376	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cc(Br)cc1F	ZINC000674800845	1074570280	/nfs/dbraw/zinc/57/02/80/1074570280.db2.gz	XIZGMEOENHZATJ-ZDUSSCGKSA-N	1	1	418.282	1.864	20	0		HDADMO
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000674800613	1074574277	/nfs/dbraw/zinc/57/42/77/1074574277.db2.gz	KYIWWFMPYMPXKJ-AEFFLSMTSA-N	1	1	411.543	1.474	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCc3ccccc3Cl)CC2)CC1	ZINC000670485197	1074577055	/nfs/dbraw/zinc/57/70/55/1074577055.db2.gz	YKZFVHZTZYPOSJ-UHFFFAOYSA-N	1	1	406.958	1.973	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3c3ncccn3)C2)cc(OC)c1	ZINC000674839025	1074585654	/nfs/dbraw/zinc/58/56/54/1074585654.db2.gz	LOLCYWPJSOVJTF-PXNSSMCTSA-N	1	1	411.506	1.853	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3c3ncccn3)C2)cc(OC)c1	ZINC000674839025	1074585661	/nfs/dbraw/zinc/58/56/61/1074585661.db2.gz	LOLCYWPJSOVJTF-PXNSSMCTSA-N	1	1	411.506	1.853	20	0		HDADMO
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CC[NH+]2CCOCC2)CC1	ZINC000674830874	1074587446	/nfs/dbraw/zinc/58/74/46/1074587446.db2.gz	DWRIYLCKRYZGRO-UHFFFAOYSA-N	1	1	408.351	1.632	20	0		HDADMO
CCn1c(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nc2ccccc21	ZINC000785474635	1074588064	/nfs/dbraw/zinc/58/80/64/1074588064.db2.gz	RCCAGBKBRYAYOX-IBGZPJMESA-N	1	1	414.554	1.061	20	0		HDADMO
CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674872207	1074593166	/nfs/dbraw/zinc/59/31/66/1074593166.db2.gz	MYWPIVFTHFWLRZ-RTWAWAEBSA-N	1	1	415.582	1.833	20	0		HDADMO
C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1	ZINC000674878212	1074600210	/nfs/dbraw/zinc/60/02/10/1074600210.db2.gz	CKDQQDCTYKMGNC-UHFFFAOYSA-N	1	1	423.564	1.539	20	0		HDADMO
CC[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)[C@@H](C)C1	ZINC000674898643	1074606153	/nfs/dbraw/zinc/60/61/53/1074606153.db2.gz	RZZCSFRBUGCBBL-LIRRHRJNSA-N	1	1	410.474	1.973	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@@H]([C@@H]4CCCO4)C3)CC2)cc1	ZINC000674913851	1074612109	/nfs/dbraw/zinc/61/21/09/1074612109.db2.gz	QWMJXFVJWQMVIA-FCHUYYIVSA-N	1	1	417.550	1.609	20	0		HDADMO
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC(OCCCO)CC1	ZINC000674914067	1074613137	/nfs/dbraw/zinc/61/31/37/1074613137.db2.gz	HRTZWOXEVVWAQR-UHFFFAOYSA-N	1	1	400.523	1.969	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@H](c2ccccc2)C1	ZINC000674916358	1074613647	/nfs/dbraw/zinc/61/36/47/1074613647.db2.gz	BWRQYYDVNPGMMO-FKBYEOEOSA-N	1	1	416.566	1.955	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@H](c2ccccc2)C1	ZINC000674916358	1074613648	/nfs/dbraw/zinc/61/36/48/1074613648.db2.gz	BWRQYYDVNPGMMO-FKBYEOEOSA-N	1	1	416.566	1.955	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@H](c2ccccc2)C1	ZINC000674916358	1074613652	/nfs/dbraw/zinc/61/36/52/1074613652.db2.gz	BWRQYYDVNPGMMO-FKBYEOEOSA-N	1	1	416.566	1.955	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1	ZINC000674918249	1074621097	/nfs/dbraw/zinc/62/10/97/1074621097.db2.gz	RVRJLUVBRBZVKP-WOJBJXKFSA-N	1	1	416.522	1.164	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1	ZINC000674922678	1074622526	/nfs/dbraw/zinc/62/25/26/1074622526.db2.gz	PUDGCXXZQDEJMM-LEWJYISDSA-N	1	1	421.538	1.733	20	0		HDADMO
O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000674916897	1074627566	/nfs/dbraw/zinc/62/75/66/1074627566.db2.gz	GXAMURUBFUDOHN-VXKWHMMOSA-N	1	1	416.566	1.784	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c2cccs2)CC1	ZINC000674972351	1074648461	/nfs/dbraw/zinc/64/84/61/1074648461.db2.gz	RVUJHJKMGILPDP-FGTMMUONSA-N	1	1	408.568	1.626	20	0		HDADMO
Cc1cc(CNC(=O)Nc2ccn(CCN3CCOCC3)n2)cc(N2CCCC2)[nH+]1	ZINC000564419141	1074657568	/nfs/dbraw/zinc/65/75/68/1074657568.db2.gz	IIXWOFOTQCQQFX-UHFFFAOYSA-N	1	1	413.526	1.841	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC(OCCCO)CC1	ZINC000674982385	1074658408	/nfs/dbraw/zinc/65/84/08/1074658408.db2.gz	BTRQVVHULSTCJY-GOSISDBHSA-N	1	1	405.543	1.165	20	0		HDADMO
C[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001487002914	1074677916	/nfs/dbraw/zinc/67/79/16/1074677916.db2.gz	GWIFKDDUXLHBLB-IQVDAOPISA-N	1	1	402.495	1.271	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429311961	1074684449	/nfs/dbraw/zinc/68/44/49/1074684449.db2.gz	WDMFRRNLBYCVIX-BBWFWOEESA-N	1	1	404.511	1.359	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000429311961	1074684455	/nfs/dbraw/zinc/68/44/55/1074684455.db2.gz	WDMFRRNLBYCVIX-BBWFWOEESA-N	1	1	404.511	1.359	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1=O	ZINC000675003208	1074685551	/nfs/dbraw/zinc/68/55/51/1074685551.db2.gz	DDIOMKFVEQEGPE-SJORKVTESA-N	1	1	402.495	1.307	20	0		HDADMO
CC(C)(C)n1nnc(CC[N@H+]2CCCC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1	ZINC001034323119	1074698875	/nfs/dbraw/zinc/69/88/75/1074698875.db2.gz	GYRYQGFDYGOYNK-FWCYYJLNSA-N	1	1	402.543	1.365	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Cc3cccc(O)c3)c2)CC1	ZINC000509304313	1074706137	/nfs/dbraw/zinc/70/61/37/1074706137.db2.gz	KEYVXUONDVWFSV-UHFFFAOYSA-N	1	1	403.504	1.900	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Cc3cccc(O)c3)c2)CC1	ZINC000509304313	1074706144	/nfs/dbraw/zinc/70/61/44/1074706144.db2.gz	KEYVXUONDVWFSV-UHFFFAOYSA-N	1	1	403.504	1.900	20	0		HDADMO
COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2	ZINC000675095805	1074707407	/nfs/dbraw/zinc/70/74/07/1074707407.db2.gz	ZNJXJHFWEHPRLW-OALUTQOASA-N	1	1	412.538	1.951	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000804218242	1074718982	/nfs/dbraw/zinc/71/89/82/1074718982.db2.gz	QTGDUHIXESWDAP-FJIDUMEYSA-N	1	1	424.586	1.985	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1	ZINC000675103080	1074719737	/nfs/dbraw/zinc/71/97/37/1074719737.db2.gz	IFGIBCKYMQAVKQ-BAGYTPMASA-N	1	1	415.582	1.355	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1	ZINC000675103080	1074719745	/nfs/dbraw/zinc/71/97/45/1074719745.db2.gz	IFGIBCKYMQAVKQ-BAGYTPMASA-N	1	1	415.582	1.355	20	0		HDADMO
COc1ccc(-c2cncc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)c2)cc1	ZINC000675141371	1074741323	/nfs/dbraw/zinc/74/13/23/1074741323.db2.gz	RAKMLMZPBAMFNN-NRFANRHFSA-N	1	1	410.518	1.894	20	0		HDADMO
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675189832	1074752013	/nfs/dbraw/zinc/75/20/13/1074752013.db2.gz	DCECIUAHWLMGNH-NVXWUHKLSA-N	1	1	408.493	2.000	20	0		HDADMO
Cc1sc2ncnc(SCC(=O)N(C)CC(=O)N3CC[NH+](C)CC3)c2c1C	ZINC000675189867	1074752125	/nfs/dbraw/zinc/75/21/25/1074752125.db2.gz	DXBNADHOGTZEEK-UHFFFAOYSA-N	1	1	407.565	1.633	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1C1CCCCC1	ZINC000567285751	1074754389	/nfs/dbraw/zinc/75/43/89/1074754389.db2.gz	JHBJZSMSDIKDMQ-GOSISDBHSA-N	1	1	405.543	2.108	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@H]21	ZINC000766098463	1074764928	/nfs/dbraw/zinc/76/49/28/1074764928.db2.gz	QZTICIXHHQPZLW-RHSMWYFYSA-N	1	1	403.504	1.550	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2=O)cc1	ZINC000766100147	1074770400	/nfs/dbraw/zinc/77/04/00/1074770400.db2.gz	YLVRRHZUCGASTO-LDJQZATESA-N	1	1	414.506	1.405	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)C1	ZINC000675263339	1074774455	/nfs/dbraw/zinc/77/44/55/1074774455.db2.gz	FCUVYIDFDXUTEI-SFHVURJKSA-N	1	1	400.523	1.577	20	0		HDADMO
COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000429326480	1074777375	/nfs/dbraw/zinc/77/73/75/1074777375.db2.gz	DLHQYYIYAPNWOB-NSHDSACASA-N	1	1	400.273	1.766	20	0		HDADMO
COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000429326480	1074777382	/nfs/dbraw/zinc/77/73/82/1074777382.db2.gz	DLHQYYIYAPNWOB-NSHDSACASA-N	1	1	400.273	1.766	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000675291910	1074782345	/nfs/dbraw/zinc/78/23/45/1074782345.db2.gz	WQSVENLCIANVSK-JKIFEVAISA-N	1	1	422.476	1.423	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccn(CCN2CCOCC2)n1	ZINC000436354288	1074784169	/nfs/dbraw/zinc/78/41/69/1074784169.db2.gz	BSPBXZXMYFQQSD-IBGZPJMESA-N	1	1	404.559	2.134	20	0		HDADMO
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000675280007	1074784405	/nfs/dbraw/zinc/78/44/05/1074784405.db2.gz	ATBPWJMTINFNCM-SFHVURJKSA-N	1	1	423.579	1.586	20	0		HDADMO
CCC(CC)[C@@H](CNC(=O)Nc1nnc(-c2c[nH]nc2C)s1)[NH+]1CCOCC1	ZINC000445017454	1074784688	/nfs/dbraw/zinc/78/46/88/1074784688.db2.gz	WTRLGZHEJQYRTN-OAHLLOKOSA-N	1	1	407.544	2.495	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1)[NH+]1CCOCC1	ZINC000468448884	1074786160	/nfs/dbraw/zinc/78/61/60/1074786160.db2.gz	KDJCCGLCCMZARH-SFHVURJKSA-N	1	1	405.543	1.972	20	0		HDADMO
COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)c1	ZINC000675285133	1074787879	/nfs/dbraw/zinc/78/78/79/1074787879.db2.gz	KZHMZAQGFLSMME-GFCCVEGCSA-N	1	1	423.491	1.649	20	0		HDADMO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000477091021	1074791460	/nfs/dbraw/zinc/79/14/60/1074791460.db2.gz	AXTLRMIJQNYOGW-FHWLQOOXSA-N	1	1	418.582	1.759	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@@H+]1C	ZINC000675338437	1074806143	/nfs/dbraw/zinc/80/61/43/1074806143.db2.gz	WXIUYBFKRCZZQG-IAGOWNOFSA-N	1	1	406.914	1.360	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@H+]1C	ZINC000675338437	1074806149	/nfs/dbraw/zinc/80/61/49/1074806149.db2.gz	WXIUYBFKRCZZQG-IAGOWNOFSA-N	1	1	406.914	1.360	20	0		HDADMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1nc2cc(Cl)ccn2n1	ZINC000583758417	1074815602	/nfs/dbraw/zinc/81/56/02/1074815602.db2.gz	IDHPGGCNCOCQLF-INIZCTEOSA-N	1	1	400.870	2.271	20	0		HDADMO
Cc1csc(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1	ZINC000143009596	1074820155	/nfs/dbraw/zinc/82/01/55/1074820155.db2.gz	PBYYGXFCAISCIA-UHFFFAOYSA-N	1	1	415.519	1.137	20	0		HDADMO
COc1cccc(CNC(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000670504488	1075090620	/nfs/dbraw/zinc/09/06/20/1075090620.db2.gz	NODHAUHQGTXDKT-UHFFFAOYSA-N	1	1	410.518	1.592	20	0		HDADMO
Cc1cc(NC(=O)CC[NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)no1	ZINC000533054516	1075096076	/nfs/dbraw/zinc/09/60/76/1075096076.db2.gz	GKENVAFVZYFFJP-UHFFFAOYSA-N	1	1	411.506	1.909	20	0		HDADMO
Cc1cc(NC(=O)CN2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)no1	ZINC000471225407	1075105177	/nfs/dbraw/zinc/10/51/77/1075105177.db2.gz	DNUNMYGRASBODI-UHFFFAOYSA-N	1	1	413.522	1.882	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)n1	ZINC000675396404	1075123522	/nfs/dbraw/zinc/12/35/22/1075123522.db2.gz	HTFKYINXVWOQNG-KRWDZBQOSA-N	1	1	412.538	1.573	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CCc3ccncc3)n2)CC1	ZINC000438238666	1075126074	/nfs/dbraw/zinc/12/60/74/1075126074.db2.gz	WEYBUQYJSJJXGZ-UHFFFAOYSA-N	1	1	413.526	1.633	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)no1	ZINC000465355413	1075135959	/nfs/dbraw/zinc/13/59/59/1075135959.db2.gz	LDVYVVSTBNFHRH-UHFFFAOYSA-N	1	1	405.480	1.794	20	0		HDADMO
C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000675412977	1075137496	/nfs/dbraw/zinc/13/74/96/1075137496.db2.gz	ZQIBKITWSLRGLY-QZTJIDSGSA-N	1	1	418.538	1.183	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCN(C)C(=O)[C@H]3C)cc2)CC1	ZINC000429343882	1075140534	/nfs/dbraw/zinc/14/05/34/1075140534.db2.gz	GMPCNDYPMPMESV-MRXNPFEDSA-N	1	1	401.511	1.088	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000675433367	1075142722	/nfs/dbraw/zinc/14/27/22/1075142722.db2.gz	NKFUQLXMVDYVJI-DYVFJYSZSA-N	1	1	422.888	1.301	20	0		HDADMO
C[C@@H]1C[N@@H+](CCOC2CCN(Cc3nnnn3CC(F)(F)F)CC2)C[C@H](C)O1	ZINC000429347190	1075142776	/nfs/dbraw/zinc/14/27/76/1075142776.db2.gz	VVEFVUJNQOXESE-OKILXGFUSA-N	1	1	406.453	1.326	20	0		HDADMO
C[C@@H]1C[N@H+](CCOC2CCN(Cc3nnnn3CC(F)(F)F)CC2)C[C@H](C)O1	ZINC000429347190	1075142780	/nfs/dbraw/zinc/14/27/80/1075142780.db2.gz	VVEFVUJNQOXESE-OKILXGFUSA-N	1	1	406.453	1.326	20	0		HDADMO
O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000675433509	1075144372	/nfs/dbraw/zinc/14/43/72/1075144372.db2.gz	UQTHVIKLYVZHFE-IIYDPXPESA-N	1	1	422.888	1.444	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@H](c3ccco3)N(C)C)CC2)CC1	ZINC000670526030	1075149333	/nfs/dbraw/zinc/14/93/33/1075149333.db2.gz	QSZCEOCTBIKKOS-LJQANCHMSA-N	1	1	419.570	1.016	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@H](Cc2ccncc2)C1	ZINC000670527123	1075150977	/nfs/dbraw/zinc/15/09/77/1075150977.db2.gz	CFCBUXQTYBIKKU-HXUWFJFHSA-N	1	1	414.550	1.624	20	0		HDADMO
C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1	ZINC000675453832	1075158607	/nfs/dbraw/zinc/15/86/07/1075158607.db2.gz	DDTFPCLYABXZNL-OAHLLOKOSA-N	1	1	401.554	1.234	20	0		HDADMO
C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1	ZINC000675453832	1075158616	/nfs/dbraw/zinc/15/86/16/1075158616.db2.gz	DDTFPCLYABXZNL-OAHLLOKOSA-N	1	1	401.554	1.234	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C[N@H+]1Cc1ccccc1	ZINC000466681207	1075169034	/nfs/dbraw/zinc/16/90/34/1075169034.db2.gz	NKMOLSVPNWLZKT-DOTOQJQBSA-N	1	1	405.462	1.380	20	0		HDADMO
NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](CCO)CCc2ccccc2)c1	ZINC000675495315	1075177646	/nfs/dbraw/zinc/17/76/46/1075177646.db2.gz	MBVHEPMJDQDNRB-UHFFFAOYSA-N	1	1	411.911	1.463	20	0		HDADMO
NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](CCO)CCc2ccccc2)c1	ZINC000675495315	1075177648	/nfs/dbraw/zinc/17/76/48/1075177648.db2.gz	MBVHEPMJDQDNRB-UHFFFAOYSA-N	1	1	411.911	1.463	20	0		HDADMO
NC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1	ZINC000675494754	1075177933	/nfs/dbraw/zinc/17/79/33/1075177933.db2.gz	AJBMADXDXPJNBN-UHFFFAOYSA-N	1	1	423.452	1.259	20	0		HDADMO
Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000509344885	1075177961	/nfs/dbraw/zinc/17/79/61/1075177961.db2.gz	VIIFVKIIMDJXSZ-CYBMUJFWSA-N	1	1	406.533	1.947	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1	ZINC000675533895	1075193122	/nfs/dbraw/zinc/19/31/22/1075193122.db2.gz	MACUJOUVHBOFRW-MRXNPFEDSA-N	1	1	409.481	1.349	20	0		HDADMO
O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000533003346	1075193816	/nfs/dbraw/zinc/19/38/16/1075193816.db2.gz	WXRBLTYPEUMVPX-AZUAARDMSA-N	1	1	422.533	1.935	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)n1	ZINC000444494526	1075206793	/nfs/dbraw/zinc/20/67/93/1075206793.db2.gz	AXBQRHVDRRGCDP-LJQANCHMSA-N	1	1	413.522	1.667	20	0		HDADMO
CC(C)[N@@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000675570798	1075208329	/nfs/dbraw/zinc/20/83/29/1075208329.db2.gz	CTZAAKVUWLXCPB-HOTGVXAUSA-N	1	1	413.540	1.126	20	0		HDADMO
COc1ncc(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)cc1C(N)=O	ZINC000675571785	1075208707	/nfs/dbraw/zinc/20/87/07/1075208707.db2.gz	PHFZZIITKBAFSL-UHFFFAOYSA-N	1	1	421.461	1.318	20	0		HDADMO
CN(C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675576855	1075210329	/nfs/dbraw/zinc/21/03/29/1075210329.db2.gz	TUFVSCLZOFCBMS-HMFYCAOWSA-N	1	1	413.522	1.623	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)no1	ZINC000557023240	1075212973	/nfs/dbraw/zinc/21/29/73/1075212973.db2.gz	RQPIPSYHGGKDLZ-RHSMWYFYSA-N	1	1	418.519	2.249	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[N@@H+]1CCc2sccc2C1	ZINC000675586583	1075217280	/nfs/dbraw/zinc/21/72/80/1075217280.db2.gz	CBJXFXGAXKOCFH-YOEHRIQHSA-N	1	1	417.535	1.625	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[N@H+]1CCc2sccc2C1	ZINC000675586583	1075217285	/nfs/dbraw/zinc/21/72/85/1075217285.db2.gz	CBJXFXGAXKOCFH-YOEHRIQHSA-N	1	1	417.535	1.625	20	0		HDADMO
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429363016	1075218596	/nfs/dbraw/zinc/21/85/96/1075218596.db2.gz	CIGUGJUHZVDTDV-CVEARBPZSA-N	1	1	420.579	1.418	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)no1	ZINC000448253606	1075220785	/nfs/dbraw/zinc/22/07/85/1075220785.db2.gz	XQPRWSMZCMDXEF-AWEZNQCLSA-N	1	1	405.524	2.258	20	0		HDADMO
CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675605460	1075221243	/nfs/dbraw/zinc/22/12/43/1075221243.db2.gz	MJBVEDAFZSSLSC-AZUAARDMSA-N	1	1	414.550	1.624	20	0		HDADMO
CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675605460	1075221248	/nfs/dbraw/zinc/22/12/48/1075221248.db2.gz	MJBVEDAFZSSLSC-AZUAARDMSA-N	1	1	414.550	1.624	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[N@H+]1Cc1ccccc1	ZINC000466689130	1075221881	/nfs/dbraw/zinc/22/18/81/1075221881.db2.gz	KJVSBIHNEAXESC-CRAIPNDOSA-N	1	1	405.462	1.380	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[N@H+]1Cc1ccccc1	ZINC000466689131	1075222050	/nfs/dbraw/zinc/22/20/50/1075222050.db2.gz	KJVSBIHNEAXESC-MAUKXSAKSA-N	1	1	405.462	1.380	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000483952780	1075227197	/nfs/dbraw/zinc/22/71/97/1075227197.db2.gz	HVUZCLFNPGQVGV-INIZCTEOSA-N	1	1	404.902	1.909	20	0		HDADMO
Cc1nccc(NCc2cccc(C(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)c2)n1	ZINC000543638189	1075227450	/nfs/dbraw/zinc/22/74/50/1075227450.db2.gz	SZHRYCRPNKYQMK-HXUWFJFHSA-N	1	1	422.533	1.776	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCc3csc(NC)n3)cc2)CC1	ZINC000443972114	1075230815	/nfs/dbraw/zinc/23/08/15/1075230815.db2.gz	LYKXEGUFOZGKOC-UHFFFAOYSA-N	1	1	416.551	2.213	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cc4n(n3)CCCC4)cc2)CC1	ZINC000497872000	1075232602	/nfs/dbraw/zinc/23/26/02/1075232602.db2.gz	BDHVTEDKZVUHMA-UHFFFAOYSA-N	1	1	424.549	1.612	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1	ZINC000675595217	1075232758	/nfs/dbraw/zinc/23/27/58/1075232758.db2.gz	KLPGOADGSUNPEH-VQTJNVASSA-N	1	1	411.506	1.734	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1	ZINC000675594973	1075233402	/nfs/dbraw/zinc/23/34/02/1075233402.db2.gz	RXSHONBFEJBXPA-IBGZPJMESA-N	1	1	405.543	1.971	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)[C@@H](C)C1	ZINC000441046133	1075236263	/nfs/dbraw/zinc/23/62/63/1075236263.db2.gz	ACYVVFKYEGVTRN-QFBILLFUSA-N	1	1	413.522	2.067	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C[C@@H]1C	ZINC000443375017	1075237305	/nfs/dbraw/zinc/23/73/05/1075237305.db2.gz	QUUVMNASJZUIJB-YOEHRIQHSA-N	1	1	418.929	2.250	20	0		HDADMO
C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000675621865	1075242124	/nfs/dbraw/zinc/24/21/24/1075242124.db2.gz	QCFAAXKJNYPASE-WCQYABFASA-N	1	1	400.292	1.846	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000675646259	1075246943	/nfs/dbraw/zinc/24/69/43/1075246943.db2.gz	WISSXOUNENSQJC-RBUKOAKNSA-N	1	1	424.567	1.178	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CCn2cnccc2=O)CC1	ZINC001129035456	1075247106	/nfs/dbraw/zinc/24/71/06/1075247106.db2.gz	RLSWRANYSXIUPR-UHFFFAOYSA-N	1	1	421.299	1.181	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC[N@@H+]1CCO	ZINC000429373300	1075257473	/nfs/dbraw/zinc/25/74/73/1075257473.db2.gz	RBVMDLLUAKXEIP-MRXNPFEDSA-N	1	1	410.540	1.392	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC[N@H+]1CCO	ZINC000429373300	1075257478	/nfs/dbraw/zinc/25/74/78/1075257478.db2.gz	RBVMDLLUAKXEIP-MRXNPFEDSA-N	1	1	410.540	1.392	20	0		HDADMO
O=C1CCC[C@H](CNc2cc(NC[C@@H]3CCCC(=O)N3)nc(-c3ccccc3)[nH+]2)N1	ZINC000553562990	1075268962	/nfs/dbraw/zinc/26/89/62/1075268962.db2.gz	BMLMTXNPEKSRER-CALCHBBNSA-N	1	1	408.506	2.305	20	0		HDADMO
O=C1CCC[C@H](CNc2cc(NC[C@@H]3CCCC(=O)N3)[nH+]c(-c3ccccc3)n2)N1	ZINC000553562990	1075268967	/nfs/dbraw/zinc/26/89/67/1075268967.db2.gz	BMLMTXNPEKSRER-CALCHBBNSA-N	1	1	408.506	2.305	20	0		HDADMO
CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n(C)n1	ZINC001005780980	1075269757	/nfs/dbraw/zinc/26/97/57/1075269757.db2.gz	XYXLADUZHSZYJJ-PGYIJGINSA-N	1	1	403.527	1.124	20	0		HDADMO
CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n(C)n1	ZINC001005780980	1075269760	/nfs/dbraw/zinc/26/97/60/1075269760.db2.gz	XYXLADUZHSZYJJ-PGYIJGINSA-N	1	1	403.527	1.124	20	0		HDADMO
C[C@H]1CN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC[N@@H+](Cc2ccccc2)C1	ZINC001129068634	1075274842	/nfs/dbraw/zinc/27/48/42/1075274842.db2.gz	PPZWFYOCMQPNBC-MRXNPFEDSA-N	1	1	417.535	1.111	20	0		HDADMO
C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)CN1CC[NH+](C)CC1	ZINC000429381810	1075276150	/nfs/dbraw/zinc/27/61/50/1075276150.db2.gz	BICJXCCFMJLYMO-YJBOKZPZSA-N	1	1	407.946	1.628	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1	ZINC001129073493	1075278337	/nfs/dbraw/zinc/27/83/37/1075278337.db2.gz	GSFXNVAQWXJTLT-HOJAQTOUSA-N	1	1	419.547	1.595	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@H]3CCC(F)(F)C3)n2)c1C	ZINC000430344767	1075279885	/nfs/dbraw/zinc/27/98/85/1075279885.db2.gz	OZUMSAXWSXHYEA-ZDUSSCGKSA-N	1	1	422.436	1.837	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@H]3CCC[C@H]3C)n2)c1C	ZINC000440133501	1075280018	/nfs/dbraw/zinc/28/00/18/1075280018.db2.gz	KUBQIUOQTYDXSC-IUODEOHRSA-N	1	1	400.483	1.838	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)n2)c1C	ZINC000434607986	1075280355	/nfs/dbraw/zinc/28/03/55/1075280355.db2.gz	QKUNILOTRZSMTD-DVOMOZLQSA-N	1	1	414.510	2.226	20	0		HDADMO
CCO[C@H](C)c1noc(CN2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)n1	ZINC000543648733	1075282810	/nfs/dbraw/zinc/28/28/10/1075282810.db2.gz	WHFOVCIWBRGGCD-OAHLLOKOSA-N	1	1	402.499	1.587	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[N@H+]1Cc1ccccc1	ZINC000466705512	1075285111	/nfs/dbraw/zinc/28/51/11/1075285111.db2.gz	OBNDKZMTSZGPSP-AEFFLSMTSA-N	1	1	424.501	1.659	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[N@H+]1Cc1ccccc1	ZINC000466705514	1075285211	/nfs/dbraw/zinc/28/52/11/1075285211.db2.gz	OBNDKZMTSZGPSP-SJLPKXTDSA-N	1	1	424.501	1.659	20	0		HDADMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	ZINC000543650882	1075285915	/nfs/dbraw/zinc/28/59/15/1075285915.db2.gz	CPJFMTLHMQEXBF-UHFFFAOYSA-N	1	1	424.567	1.831	20	0		HDADMO
Cc1ccc(NCCCNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)[nH+]c1	ZINC000479389004	1075301485	/nfs/dbraw/zinc/30/14/85/1075301485.db2.gz	UJFCJHKCSAWAHG-UHFFFAOYSA-N	1	1	415.519	1.903	20	0		HDADMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@H]1C	ZINC000479119136	1075302182	/nfs/dbraw/zinc/30/21/82/1075302182.db2.gz	NUZFCARPNXXYBF-CHWSQXEVSA-N	1	1	402.322	1.566	20	0		HDADMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@H]1C	ZINC000479119136	1075302184	/nfs/dbraw/zinc/30/21/84/1075302184.db2.gz	NUZFCARPNXXYBF-CHWSQXEVSA-N	1	1	402.322	1.566	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)[nH+]c1	ZINC000547467431	1075303394	/nfs/dbraw/zinc/30/33/94/1075303394.db2.gz	FGANHYUDEGIQOG-UHFFFAOYSA-N	1	1	424.549	2.230	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)[nH+]c1	ZINC000460915078	1075304435	/nfs/dbraw/zinc/30/44/35/1075304435.db2.gz	VQFBQHWLPPKRQJ-UHFFFAOYSA-N	1	1	417.535	2.231	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[nH+]c1	ZINC000548444927	1075304525	/nfs/dbraw/zinc/30/45/25/1075304525.db2.gz	CWACVFHZEZTMCE-OAQYLSRUSA-N	1	1	410.478	1.746	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CN(C)S(=O)(=O)c3cccnc3)C2)nc(C)[nH+]1	ZINC000731295454	1075306170	/nfs/dbraw/zinc/30/61/70/1075306170.db2.gz	VBNNEKIINAMZOT-MRXNPFEDSA-N	1	1	419.507	1.321	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)[C@H]1C(C)C	ZINC000429386153	1075306426	/nfs/dbraw/zinc/30/64/26/1075306426.db2.gz	WMUSRTRXKSMTDA-UWVAXJGDSA-N	1	1	403.523	1.949	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)[C@H](C)C1	ZINC000429387177	1075313663	/nfs/dbraw/zinc/31/36/63/1075313663.db2.gz	KORCEAAQJXGVQD-CRAIPNDOSA-N	1	1	415.494	1.941	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)[C@H](C)C1	ZINC000429387177	1075313676	/nfs/dbraw/zinc/31/36/76/1075313676.db2.gz	KORCEAAQJXGVQD-CRAIPNDOSA-N	1	1	415.494	1.941	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1	ZINC000731350724	1075314230	/nfs/dbraw/zinc/31/42/30/1075314230.db2.gz	CYAVTLUVRNZJDX-SFHVURJKSA-N	1	1	422.570	1.789	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)[C@@H](C)C1	ZINC000429387183	1075314270	/nfs/dbraw/zinc/31/42/70/1075314270.db2.gz	KORCEAAQJXGVQD-MAUKXSAKSA-N	1	1	415.494	1.941	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)[C@@H](C)C1	ZINC000429387183	1075314272	/nfs/dbraw/zinc/31/42/72/1075314272.db2.gz	KORCEAAQJXGVQD-MAUKXSAKSA-N	1	1	415.494	1.941	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3)CC2)CC1	ZINC000731351682	1075315422	/nfs/dbraw/zinc/31/54/22/1075315422.db2.gz	VFEGKRBTJUDNLB-UHFFFAOYSA-N	1	1	422.551	1.074	20	0		HDADMO
COC(=O)c1cc(NC(=O)C[NH+]2CCC(n3cccn3)CC2)cc(C(=O)OC)c1	ZINC000731354537	1075317939	/nfs/dbraw/zinc/31/79/39/1075317939.db2.gz	MUGYVECZVUNEQF-UHFFFAOYSA-N	1	1	400.435	1.732	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(Cn3nc(-c4cccs4)oc3=O)CC2)CC1	ZINC000731355965	1075318854	/nfs/dbraw/zinc/31/88/54/1075318854.db2.gz	LWKREPFXAAOSOP-UHFFFAOYSA-N	1	1	405.524	1.398	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000675997057	1075320627	/nfs/dbraw/zinc/32/06/27/1075320627.db2.gz	WUPFRMCTCDIMKQ-KRWDZBQOSA-N	1	1	424.567	1.586	20	0		HDADMO
COC(=O)c1cn(C2CC[NH+](CC(=O)N(Cc3ccc(C)o3)C3CC3)CC2)nn1	ZINC000546809586	1075321979	/nfs/dbraw/zinc/32/19/79/1075321979.db2.gz	XBYOICOOHRDSQX-UHFFFAOYSA-N	1	1	401.467	1.794	20	0		HDADMO
CO[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1Cl	ZINC000676004184	1075322306	/nfs/dbraw/zinc/32/23/06/1075322306.db2.gz	RMAZOKXARBQCKD-MSOLQXFVSA-N	1	1	408.930	1.976	20	0		HDADMO
CCOC1CC(CNC(=O)NCCCNc2ccc(C)c[nH+]2)(N2CCOCC2)C1	ZINC000444149846	1075339170	/nfs/dbraw/zinc/33/91/70/1075339170.db2.gz	BBSZNURYTSIWFM-UHFFFAOYSA-N	1	1	405.543	1.761	20	0		HDADMO
O=C(NCCOc1cccnc1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000804077310	1075340893	/nfs/dbraw/zinc/34/08/93/1075340893.db2.gz	SRUJERGQWAKMHT-GOSISDBHSA-N	1	1	414.531	1.310	20	0		HDADMO
O=C(NCCOc1cccnc1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000804077310	1075340898	/nfs/dbraw/zinc/34/08/98/1075340898.db2.gz	SRUJERGQWAKMHT-GOSISDBHSA-N	1	1	414.531	1.310	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)[C@H]1C(C)C	ZINC000429393361	1075345921	/nfs/dbraw/zinc/34/59/21/1075345921.db2.gz	JWMSEZGFEUEBAY-ICSRJNTNSA-N	1	1	401.507	1.715	20	0		HDADMO
Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2ccn(CC(N)=O)n2)c1	ZINC000584851951	1075350407	/nfs/dbraw/zinc/35/04/07/1075350407.db2.gz	FDKGMGOAWSWEMS-RTWAWAEBSA-N	1	1	417.513	2.531	20	0		HDADMO
CS[C@@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000804083721	1075354008	/nfs/dbraw/zinc/35/40/08/1075354008.db2.gz	FABGUMBTQBISND-FUHWJXTLSA-N	1	1	405.568	1.110	20	0		HDADMO
COC(=O)[C@H]1CCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)[C@H](C(=O)OC)C1	ZINC000509380867	1075356532	/nfs/dbraw/zinc/35/65/32/1075356532.db2.gz	QWDRFAMUDZHUJU-RDJZCZTQSA-N	1	1	423.535	1.617	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000731482584	1075366081	/nfs/dbraw/zinc/36/60/81/1075366081.db2.gz	MQGDCHJJVRCBMX-IRXDYDNUSA-N	1	1	409.552	1.700	20	0		HDADMO
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000731482584	1075366106	/nfs/dbraw/zinc/36/61/06/1075366106.db2.gz	MQGDCHJJVRCBMX-IRXDYDNUSA-N	1	1	409.552	1.700	20	0		HDADMO
CCN(CCc1ccccn1)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000804084407	1075367669	/nfs/dbraw/zinc/36/76/69/1075367669.db2.gz	VUYNKDBUYRXYFW-UHFFFAOYSA-N	1	1	424.549	1.196	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1	ZINC000804091084	1075385225	/nfs/dbraw/zinc/38/52/25/1075385225.db2.gz	WFFAGJHNJUYASF-CVEARBPZSA-N	1	1	410.559	1.929	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1	ZINC000804091086	1075385337	/nfs/dbraw/zinc/38/53/37/1075385337.db2.gz	WFFAGJHNJUYASF-HZPDHXFCSA-N	1	1	410.559	1.929	20	0		HDADMO
C[C@@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ccncc1	ZINC000676110616	1075385849	/nfs/dbraw/zinc/38/58/49/1075385849.db2.gz	HHSWKRHXGXTJHM-SFHVURJKSA-N	1	1	401.555	1.272	20	0		HDADMO
CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000804091618	1075388748	/nfs/dbraw/zinc/38/87/48/1075388748.db2.gz	GXLPNNHTHDLZAL-DLBZAZTESA-N	1	1	410.559	1.739	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804092387	1075391522	/nfs/dbraw/zinc/39/15/22/1075391522.db2.gz	JWTORBYBXJHKDA-QZWWFDLISA-N	1	1	410.559	1.737	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)[C@H]1C(C)C	ZINC000429400586	1075392073	/nfs/dbraw/zinc/39/20/73/1075392073.db2.gz	OQFAKDRHKXWQTJ-AZOIQLNYSA-N	1	1	423.535	1.131	20	0		HDADMO
Cc1nc(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nn1-c1ccccc1	ZINC000731573795	1075391991	/nfs/dbraw/zinc/39/19/91/1075391991.db2.gz	FNUGJKLXXTYXKF-UHFFFAOYSA-N	1	1	418.501	1.893	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1	ZINC000804093819	1075393007	/nfs/dbraw/zinc/39/30/07/1075393007.db2.gz	QHDANWADAYJWEJ-DLBZAZTESA-N	1	1	408.543	1.493	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)cc1	ZINC000426937071	1075397550	/nfs/dbraw/zinc/39/75/50/1075397550.db2.gz	MMPYPYRUFUQLKG-PKOBYXMFSA-N	1	1	411.506	1.821	20	0		HDADMO
CN(C)c1nc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cs1	ZINC000676161289	1075414672	/nfs/dbraw/zinc/41/46/72/1075414672.db2.gz	ZQVIOZMQJIJOFD-AEFFLSMTSA-N	1	1	403.552	1.891	20	0		HDADMO
CN1CCC([NH+]2CCC(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)CC2)CC1	ZINC000731622924	1075417794	/nfs/dbraw/zinc/41/77/94/1075417794.db2.gz	VPBUHZFVPUKEEH-UHFFFAOYSA-N	1	1	413.497	1.660	20	0		HDADMO
COC1CCN(C2(C[NH2+]Cc3cnn([C@@]4(C)CCS(=O)(=O)C4)c3)CCCC2)CC1	ZINC000676199668	1075434131	/nfs/dbraw/zinc/43/41/31/1075434131.db2.gz	KGEZOABZHSXCRD-FQEVSTJZSA-N	1	1	424.611	1.930	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC000509389735	1075435579	/nfs/dbraw/zinc/43/55/79/1075435579.db2.gz	UARBLLYHXHUFJX-SJORKVTESA-N	1	1	409.552	1.851	20	0		HDADMO
O=C(Cn1nnnc1CCc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000676223651	1075437219	/nfs/dbraw/zinc/43/72/19/1075437219.db2.gz	UBLVXJLBRWNELH-UHFFFAOYSA-N	1	1	412.538	1.610	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1	ZINC000731655485	1075438620	/nfs/dbraw/zinc/43/86/20/1075438620.db2.gz	OSBIBFMMEBPSEE-SFHVURJKSA-N	1	1	402.495	1.239	20	0		HDADMO
CCc1ccc(N2C[C@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1	ZINC000731655239	1075439085	/nfs/dbraw/zinc/43/90/85/1075439085.db2.gz	DWZSCGLBPCHTRV-QGZVFWFLSA-N	1	1	400.523	1.271	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676245038	1075446518	/nfs/dbraw/zinc/44/65/18/1075446518.db2.gz	ZEUNNSJTJJRBTP-QAPCUYQASA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676245038	1075446519	/nfs/dbraw/zinc/44/65/19/1075446519.db2.gz	ZEUNNSJTJJRBTP-QAPCUYQASA-N	1	1	412.556	1.033	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCC(=O)N1CCOc2ccccc21	ZINC000731687292	1075449315	/nfs/dbraw/zinc/44/93/15/1075449315.db2.gz	LQDXLYKSKWWEEN-UHFFFAOYSA-N	1	1	402.539	1.677	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCOc2ccccc21	ZINC000731687292	1075449322	/nfs/dbraw/zinc/44/93/22/1075449322.db2.gz	LQDXLYKSKWWEEN-UHFFFAOYSA-N	1	1	402.539	1.677	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCC[N@H+](CCC(=O)Nc3cc(C)on3)CC2)cc1	ZINC000480401027	1075449798	/nfs/dbraw/zinc/44/97/98/1075449798.db2.gz	IWQVYKQVQPDPBI-UHFFFAOYSA-N	1	1	422.507	1.717	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCC(=O)Nc3cc(C)on3)CC2)cc1	ZINC000480401027	1075449803	/nfs/dbraw/zinc/44/98/03/1075449803.db2.gz	IWQVYKQVQPDPBI-UHFFFAOYSA-N	1	1	422.507	1.717	20	0		HDADMO
CC(C)[C@@H](CNC(=O)CCC(=O)N1CCOc2ccccc21)N1CC[NH+](C)CC1	ZINC000731687878	1075451116	/nfs/dbraw/zinc/45/11/16/1075451116.db2.gz	UHQMZOOZKKCHCR-LJQANCHMSA-N	1	1	402.539	1.580	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676256506	1075451989	/nfs/dbraw/zinc/45/19/89/1075451989.db2.gz	ADLXMRXYVCBSDD-WDSOQIARSA-N	1	1	409.552	1.064	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676256506	1075451993	/nfs/dbraw/zinc/45/19/93/1075451993.db2.gz	ADLXMRXYVCBSDD-WDSOQIARSA-N	1	1	409.552	1.064	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OC	ZINC000676259027	1075454832	/nfs/dbraw/zinc/45/48/32/1075454832.db2.gz	ZVKZZQVAYBASPR-RHSMWYFYSA-N	1	1	413.540	1.175	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OC	ZINC000676259027	1075454834	/nfs/dbraw/zinc/45/48/34/1075454834.db2.gz	ZVKZZQVAYBASPR-RHSMWYFYSA-N	1	1	413.540	1.175	20	0		HDADMO
C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[N@H+](C)CCO1	ZINC000676258743	1075455535	/nfs/dbraw/zinc/45/55/35/1075455535.db2.gz	XUSGPTYOOIDRET-UZLBHIALSA-N	1	1	423.579	1.459	20	0		HDADMO
C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258743	1075455541	/nfs/dbraw/zinc/45/55/41/1075455541.db2.gz	XUSGPTYOOIDRET-UZLBHIALSA-N	1	1	423.579	1.459	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676258329	1075455943	/nfs/dbraw/zinc/45/59/43/1075455943.db2.gz	SZHOQVZBHBWPJF-AXVVYFOYSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258329	1075455948	/nfs/dbraw/zinc/45/59/48/1075455948.db2.gz	SZHOQVZBHBWPJF-AXVVYFOYSA-N	1	1	423.579	1.802	20	0		HDADMO
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259709	1075456441	/nfs/dbraw/zinc/45/64/41/1075456441.db2.gz	PDZZDBXBVMTERI-LRDDRELGSA-N	1	1	406.483	1.912	20	0		HDADMO
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259709	1075456446	/nfs/dbraw/zinc/45/64/46/1075456446.db2.gz	PDZZDBXBVMTERI-LRDDRELGSA-N	1	1	406.483	1.912	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259797	1075456453	/nfs/dbraw/zinc/45/64/53/1075456453.db2.gz	BUNUAMGCWJGRJP-PBHICJAKSA-N	1	1	412.556	1.745	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259797	1075456454	/nfs/dbraw/zinc/45/64/54/1075456454.db2.gz	BUNUAMGCWJGRJP-PBHICJAKSA-N	1	1	412.556	1.745	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676259623	1075456935	/nfs/dbraw/zinc/45/69/35/1075456935.db2.gz	ZDQXUFXRZHBQNS-QFBILLFUSA-N	1	1	411.568	1.946	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676259623	1075456939	/nfs/dbraw/zinc/45/69/39/1075456939.db2.gz	ZDQXUFXRZHBQNS-QFBILLFUSA-N	1	1	411.568	1.946	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676259625	1075457047	/nfs/dbraw/zinc/45/70/47/1075457047.db2.gz	ZDQXUFXRZHBQNS-VQIMIIECSA-N	1	1	411.568	1.946	20	0		HDADMO
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676259625	1075457051	/nfs/dbraw/zinc/45/70/51/1075457051.db2.gz	ZDQXUFXRZHBQNS-VQIMIIECSA-N	1	1	411.568	1.946	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@H]1C[N@H+](C)CCO1	ZINC000676260473	1075458823	/nfs/dbraw/zinc/45/88/23/1075458823.db2.gz	KGGLPKVONFICJM-HRAATJIYSA-N	1	1	421.497	1.974	20	0		HDADMO
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676260473	1075458827	/nfs/dbraw/zinc/45/88/27/1075458827.db2.gz	KGGLPKVONFICJM-HRAATJIYSA-N	1	1	421.497	1.974	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c(C)c1	ZINC000676260742	1075458832	/nfs/dbraw/zinc/45/88/32/1075458832.db2.gz	WVNUVPBBHRLDNF-PKOBYXMFSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c(C)c1	ZINC000676260742	1075458835	/nfs/dbraw/zinc/45/88/35/1075458835.db2.gz	WVNUVPBBHRLDNF-PKOBYXMFSA-N	1	1	423.579	1.539	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676261618	1075460654	/nfs/dbraw/zinc/46/06/54/1075460654.db2.gz	YBXGCRHNHCJTAF-WBVHZDCISA-N	1	1	410.540	1.702	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676261618	1075460659	/nfs/dbraw/zinc/46/06/59/1075460659.db2.gz	YBXGCRHNHCJTAF-WBVHZDCISA-N	1	1	410.540	1.702	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H](C)[C@@H]3CN(C)CCO3)cc2)CC1	ZINC000676265691	1075464449	/nfs/dbraw/zinc/46/44/49/1075464449.db2.gz	XYRNEASRUGDZJS-XLIONFOSSA-N	1	1	417.554	1.234	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000731683011	1075465940	/nfs/dbraw/zinc/46/59/40/1075465940.db2.gz	XXQJINKUMUPOKZ-KRWDZBQOSA-N	1	1	402.605	1.449	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000731683012	1075465974	/nfs/dbraw/zinc/46/59/74/1075465974.db2.gz	XXQJINKUMUPOKZ-QGZVFWFLSA-N	1	1	402.605	1.449	20	0		HDADMO
C[C@@H](CCN1CCN(C(=O)N2CCCC2)CC1)[NH+]1CCN(C(=O)N2CCCC2)CC1	ZINC000676249784	1075466673	/nfs/dbraw/zinc/46/66/73/1075466673.db2.gz	ICRCVUAUCORDOO-FQEVSTJZSA-N	1	1	420.602	1.432	20	0		HDADMO
C[C@@H](CC[NH+]1CCN(C(=O)N2CCCC2)CC1)N1CCN(C(=O)N2CCCC2)CC1	ZINC000676249784	1075466676	/nfs/dbraw/zinc/46/66/76/1075466676.db2.gz	ICRCVUAUCORDOO-FQEVSTJZSA-N	1	1	420.602	1.432	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676251008	1075467454	/nfs/dbraw/zinc/46/74/54/1075467454.db2.gz	NLPSTASSZLUFMT-RCBQFDQVSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251008	1075467460	/nfs/dbraw/zinc/46/74/60/1075467460.db2.gz	NLPSTASSZLUFMT-RCBQFDQVSA-N	1	1	414.428	1.829	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676250681	1075467861	/nfs/dbraw/zinc/46/78/61/1075467861.db2.gz	IILLPWGNUVVBAW-JTDSTZFVSA-N	1	1	422.957	1.844	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676250681	1075467865	/nfs/dbraw/zinc/46/78/65/1075467865.db2.gz	IILLPWGNUVVBAW-JTDSTZFVSA-N	1	1	422.957	1.844	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251618	1075468399	/nfs/dbraw/zinc/46/83/99/1075468399.db2.gz	REKOYMYPAFFLOR-MAUKXSAKSA-N	1	1	423.945	1.325	20	0		HDADMO
C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251618	1075468406	/nfs/dbraw/zinc/46/84/06/1075468406.db2.gz	REKOYMYPAFFLOR-MAUKXSAKSA-N	1	1	423.945	1.325	20	0		HDADMO
COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676251464	1075468947	/nfs/dbraw/zinc/46/89/47/1075468947.db2.gz	NAPIYNQGRBVTEP-BEFAXECRSA-N	1	1	410.946	1.895	20	0		HDADMO
COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676251464	1075468951	/nfs/dbraw/zinc/46/89/51/1075468951.db2.gz	NAPIYNQGRBVTEP-BEFAXECRSA-N	1	1	410.946	1.895	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676251559	1075469121	/nfs/dbraw/zinc/46/91/21/1075469121.db2.gz	QHYFHYHKGMGDBE-WFASDCNBSA-N	1	1	402.326	1.939	20	0		HDADMO
C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676251559	1075469123	/nfs/dbraw/zinc/46/91/23/1075469123.db2.gz	QHYFHYHKGMGDBE-WFASDCNBSA-N	1	1	402.326	1.939	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676254145	1075471125	/nfs/dbraw/zinc/47/11/25/1075471125.db2.gz	DESFIJJUHJGIIY-JTDSTZFVSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676254145	1075471130	/nfs/dbraw/zinc/47/11/30/1075471130.db2.gz	DESFIJJUHJGIIY-JTDSTZFVSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676253432	1075471786	/nfs/dbraw/zinc/47/17/86/1075471786.db2.gz	XZVKFSAQGNIWMO-APWZRJJASA-N	1	1	410.946	1.765	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676253432	1075471790	/nfs/dbraw/zinc/47/17/90/1075471790.db2.gz	XZVKFSAQGNIWMO-APWZRJJASA-N	1	1	410.946	1.765	20	0		HDADMO
CCOCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1C	ZINC000676278145	1075476235	/nfs/dbraw/zinc/47/62/35/1075476235.db2.gz	FDLOQDPPLXZINV-APWZRJJASA-N	1	1	407.511	1.322	20	0		HDADMO
CCOCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C	ZINC000676278145	1075476239	/nfs/dbraw/zinc/47/62/39/1075476239.db2.gz	FDLOQDPPLXZINV-APWZRJJASA-N	1	1	407.511	1.322	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277924	1075476926	/nfs/dbraw/zinc/47/69/26/1075476926.db2.gz	CCBKMPLPMWGBCK-KXBFYZLASA-N	1	1	416.522	1.523	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277924	1075476929	/nfs/dbraw/zinc/47/69/29/1075476929.db2.gz	CCBKMPLPMWGBCK-KXBFYZLASA-N	1	1	416.522	1.523	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277765	1075476998	/nfs/dbraw/zinc/47/69/98/1075476998.db2.gz	AWZUGJBDQOILHE-KDOFPFPSSA-N	1	1	423.535	1.177	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277765	1075476999	/nfs/dbraw/zinc/47/69/99/1075476999.db2.gz	AWZUGJBDQOILHE-KDOFPFPSSA-N	1	1	423.535	1.177	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277767	1075477600	/nfs/dbraw/zinc/47/76/00/1075477600.db2.gz	AWZUGJBDQOILHE-KSSFIOAISA-N	1	1	423.535	1.177	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277767	1075477602	/nfs/dbraw/zinc/47/76/02/1075477602.db2.gz	AWZUGJBDQOILHE-KSSFIOAISA-N	1	1	423.535	1.177	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(OCC(F)(F)F)c1	ZINC000676279172	1075479158	/nfs/dbraw/zinc/47/91/58/1075479158.db2.gz	ANPOWLOFMAEYMV-IUODEOHRSA-N	1	1	403.401	1.710	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(OCC(F)(F)F)c1	ZINC000676279172	1075479162	/nfs/dbraw/zinc/47/91/62/1075479162.db2.gz	ANPOWLOFMAEYMV-IUODEOHRSA-N	1	1	403.401	1.710	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676278971	1075479167	/nfs/dbraw/zinc/47/91/67/1075479167.db2.gz	LCXBVRSVUZKSJJ-TVQRCGJNSA-N	1	1	423.363	1.663	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676278971	1075479169	/nfs/dbraw/zinc/47/91/69/1075479169.db2.gz	LCXBVRSVUZKSJJ-TVQRCGJNSA-N	1	1	423.363	1.663	20	0		HDADMO
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c2)n1	ZINC000676278948	1075479231	/nfs/dbraw/zinc/47/92/31/1075479231.db2.gz	KVAJCECBDUVCCL-XJKSGUPXSA-N	1	1	401.467	1.381	20	0		HDADMO
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c2)n1	ZINC000676278948	1075479234	/nfs/dbraw/zinc/47/92/34/1075479234.db2.gz	KVAJCECBDUVCCL-XJKSGUPXSA-N	1	1	401.467	1.381	20	0		HDADMO
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676278765	1075479765	/nfs/dbraw/zinc/47/97/65/1075479765.db2.gz	JPVZHROQWZOQJR-DOTOQJQBSA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676278765	1075479771	/nfs/dbraw/zinc/47/97/71/1075479771.db2.gz	JPVZHROQWZOQJR-DOTOQJQBSA-N	1	1	402.495	1.005	20	0		HDADMO
COc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1Br	ZINC000676278665	1075480454	/nfs/dbraw/zinc/48/04/54/1075480454.db2.gz	JTAVEZCUWARAGL-YGRLFVJLSA-N	1	1	400.273	1.232	20	0		HDADMO
COc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1Br	ZINC000676278665	1075480457	/nfs/dbraw/zinc/48/04/57/1075480457.db2.gz	JTAVEZCUWARAGL-YGRLFVJLSA-N	1	1	400.273	1.232	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1NC(=O)c1ccco1	ZINC000676278408	1075481286	/nfs/dbraw/zinc/48/12/86/1075481286.db2.gz	HMRGXPBABWWSCN-KDOFPFPSSA-N	1	1	414.462	1.614	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1NC(=O)c1ccco1	ZINC000676278408	1075481292	/nfs/dbraw/zinc/48/12/92/1075481292.db2.gz	HMRGXPBABWWSCN-KDOFPFPSSA-N	1	1	414.462	1.614	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280049	1075482609	/nfs/dbraw/zinc/48/26/09/1075482609.db2.gz	QTMQFKUFZWJKDH-GUYCJALGSA-N	1	1	402.426	1.787	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280049	1075482612	/nfs/dbraw/zinc/48/26/12/1075482612.db2.gz	QTMQFKUFZWJKDH-GUYCJALGSA-N	1	1	402.426	1.787	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676280059	1075482732	/nfs/dbraw/zinc/48/27/32/1075482732.db2.gz	QWJCQENOHDWICD-KBXCAEBGSA-N	1	1	402.495	1.133	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676280059	1075482739	/nfs/dbraw/zinc/48/27/39/1075482739.db2.gz	QWJCQENOHDWICD-KBXCAEBGSA-N	1	1	402.495	1.133	20	0		HDADMO
CC[C@H](C)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000434910991	1075483973	/nfs/dbraw/zinc/48/39/73/1075483973.db2.gz	GDCJVZDZQXKACY-JSGCOSHPSA-N	1	1	402.499	2.226	20	0		HDADMO
CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676280879	1075485552	/nfs/dbraw/zinc/48/55/52/1075485552.db2.gz	UQMCQBAXXDYULE-ABAIWWIYSA-N	1	1	414.300	1.622	20	0		HDADMO
CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280879	1075485561	/nfs/dbraw/zinc/48/55/61/1075485561.db2.gz	UQMCQBAXXDYULE-ABAIWWIYSA-N	1	1	414.300	1.622	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280493	1075486689	/nfs/dbraw/zinc/48/66/89/1075486689.db2.gz	IVZUPAQMBARETR-DYVFJYSZSA-N	1	1	400.435	1.306	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280493	1075486694	/nfs/dbraw/zinc/48/66/94/1075486694.db2.gz	IVZUPAQMBARETR-DYVFJYSZSA-N	1	1	400.435	1.306	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676281218	1075487933	/nfs/dbraw/zinc/48/79/33/1075487933.db2.gz	XZCCYDZEAVUKGG-WOCWXWTJSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281218	1075487938	/nfs/dbraw/zinc/48/79/38/1075487938.db2.gz	XZCCYDZEAVUKGG-WOCWXWTJSA-N	1	1	418.538	1.070	20	0		HDADMO
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1)C(C)C	ZINC000676281790	1075488186	/nfs/dbraw/zinc/48/81/86/1075488186.db2.gz	WPJLZMGMEPLGGV-BEFAXECRSA-N	1	1	404.511	1.217	20	0		HDADMO
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1)C(C)C	ZINC000676281790	1075488193	/nfs/dbraw/zinc/48/81/93/1075488193.db2.gz	WPJLZMGMEPLGGV-BEFAXECRSA-N	1	1	404.511	1.217	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676281829	1075488280	/nfs/dbraw/zinc/48/82/80/1075488280.db2.gz	XNSWSUXRNHRSGD-XJKSGUPXSA-N	1	1	403.508	1.345	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281829	1075488287	/nfs/dbraw/zinc/48/82/87/1075488287.db2.gz	XNSWSUXRNHRSGD-XJKSGUPXSA-N	1	1	403.508	1.345	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@H]1C[N@H+](C)CCO1	ZINC000676282790	1075489682	/nfs/dbraw/zinc/48/96/82/1075489682.db2.gz	VQANURXLKJBNHN-JCKWVBRZSA-N	1	1	409.458	1.157	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@H]1C[N@@H+](C)CCO1	ZINC000676282790	1075489690	/nfs/dbraw/zinc/48/96/90/1075489690.db2.gz	VQANURXLKJBNHN-JCKWVBRZSA-N	1	1	409.458	1.157	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1C[N@H+](C)CCO1	ZINC000676283348	1075490332	/nfs/dbraw/zinc/49/03/32/1075490332.db2.gz	YTFMLKBXLZKBQC-RDTXWAMCSA-N	1	1	403.479	1.892	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1C[N@@H+](C)CCO1	ZINC000676283348	1075490334	/nfs/dbraw/zinc/49/03/34/1075490334.db2.gz	YTFMLKBXLZKBQC-RDTXWAMCSA-N	1	1	403.479	1.892	20	0		HDADMO
C[C@@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676286752	1075491507	/nfs/dbraw/zinc/49/15/07/1075491507.db2.gz	FFKXIKPMBOUHTP-VYDXJSESSA-N	1	1	406.552	1.634	20	0		HDADMO
C[C@@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676286752	1075491511	/nfs/dbraw/zinc/49/15/11/1075491511.db2.gz	FFKXIKPMBOUHTP-VYDXJSESSA-N	1	1	406.552	1.634	20	0		HDADMO
C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1C[N@H+](C)CCO1	ZINC000676307349	1075493230	/nfs/dbraw/zinc/49/32/30/1075493230.db2.gz	PBJLLPNUAZIIJZ-BDJLRTHQSA-N	1	1	401.410	1.877	20	0		HDADMO
C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1C[N@@H+](C)CCO1	ZINC000676307349	1075493233	/nfs/dbraw/zinc/49/32/33/1075493233.db2.gz	PBJLLPNUAZIIJZ-BDJLRTHQSA-N	1	1	401.410	1.877	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[N@@H+]1CCO	ZINC000429419247	1075493513	/nfs/dbraw/zinc/49/35/13/1075493513.db2.gz	SLTJPYYCHQFQQI-GFCCVEGCSA-N	1	1	424.445	1.058	20	0		HDADMO
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[N@H+]1CCO	ZINC000429419247	1075493517	/nfs/dbraw/zinc/49/35/17/1075493517.db2.gz	SLTJPYYCHQFQQI-GFCCVEGCSA-N	1	1	424.445	1.058	20	0		HDADMO
O=C(COc1ccc(Cl)cc1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676308541	1075493979	/nfs/dbraw/zinc/49/39/79/1075493979.db2.gz	JCCLOYFORDWZLS-UHFFFAOYSA-N	1	1	417.897	1.694	20	0		HDADMO
COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@@H+]2C2CC2)c1	ZINC000569397410	1075494336	/nfs/dbraw/zinc/49/43/36/1075494336.db2.gz	IVYLUCPUKHFMRP-GHTZIAJQSA-N	1	1	423.517	2.339	20	0		HDADMO
COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@H+]2C2CC2)c1	ZINC000569397410	1075494338	/nfs/dbraw/zinc/49/43/38/1075494338.db2.gz	IVYLUCPUKHFMRP-GHTZIAJQSA-N	1	1	423.517	2.339	20	0		HDADMO
COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676289593	1075494458	/nfs/dbraw/zinc/49/44/58/1075494458.db2.gz	GFZCUSGRIZYQBQ-GUYCJALGSA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676289593	1075494465	/nfs/dbraw/zinc/49/44/65/1075494465.db2.gz	GFZCUSGRIZYQBQ-GUYCJALGSA-N	1	1	405.524	1.512	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c1	ZINC000676289334	1075494981	/nfs/dbraw/zinc/49/49/81/1075494981.db2.gz	FKIQOTWSIXWTGR-QRVBRYPASA-N	1	1	423.579	1.600	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c1	ZINC000676289334	1075494982	/nfs/dbraw/zinc/49/49/82/1075494982.db2.gz	FKIQOTWSIXWTGR-QRVBRYPASA-N	1	1	423.579	1.600	20	0		HDADMO
C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)cc2Cl)CC1	ZINC000731766297	1075500789	/nfs/dbraw/zinc/50/07/89/1075500789.db2.gz	XISQXWMNCLLGAT-OAHLLOKOSA-N	1	1	424.929	1.200	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNc2nc(N3CCOCC3)cc[nH+]2)cc1	ZINC000676303749	1075502184	/nfs/dbraw/zinc/50/21/84/1075502184.db2.gz	ARYVYEILFOIFKF-UHFFFAOYSA-N	1	1	405.524	1.956	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676303735	1075502314	/nfs/dbraw/zinc/50/23/14/1075502314.db2.gz	HZWSQJHJUHWVID-KBXCAEBGSA-N	1	1	422.507	1.599	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676303735	1075502315	/nfs/dbraw/zinc/50/23/15/1075502315.db2.gz	HZWSQJHJUHWVID-KBXCAEBGSA-N	1	1	422.507	1.599	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676305510	1075503517	/nfs/dbraw/zinc/50/35/17/1075503517.db2.gz	PMSDWCFJONNJGT-XJKSGUPXSA-N	1	1	412.893	1.666	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676305510	1075503520	/nfs/dbraw/zinc/50/35/20/1075503520.db2.gz	PMSDWCFJONNJGT-XJKSGUPXSA-N	1	1	412.893	1.666	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CC2	ZINC000676306501	1075504324	/nfs/dbraw/zinc/50/43/24/1075504324.db2.gz	VDWJZULVNHOPIG-KBXCAEBGSA-N	1	1	407.511	1.542	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CC2	ZINC000676306501	1075504327	/nfs/dbraw/zinc/50/43/27/1075504327.db2.gz	VDWJZULVNHOPIG-KBXCAEBGSA-N	1	1	407.511	1.542	20	0		HDADMO
C[C@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676306926	1075504334	/nfs/dbraw/zinc/50/43/34/1075504334.db2.gz	XCOCATXBMOTKGY-MGPUTAFESA-N	1	1	400.523	1.972	20	0		HDADMO
C[C@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676306926	1075504338	/nfs/dbraw/zinc/50/43/38/1075504338.db2.gz	XCOCATXBMOTKGY-MGPUTAFESA-N	1	1	400.523	1.972	20	0		HDADMO
O=S(=O)(c1ccccc1)N1CCCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676308217	1075504699	/nfs/dbraw/zinc/50/46/99/1075504699.db2.gz	MLHRINHHCGQJOS-UHFFFAOYSA-N	1	1	403.508	1.214	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676306582	1075504767	/nfs/dbraw/zinc/50/47/67/1075504767.db2.gz	LRHRGKZMNPKFGP-BBRMVZONSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676306582	1075504771	/nfs/dbraw/zinc/50/47/71/1075504771.db2.gz	LRHRGKZMNPKFGP-BBRMVZONSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676306585	1075504829	/nfs/dbraw/zinc/50/48/29/1075504829.db2.gz	LRHRGKZMNPKFGP-XJKSGUPXSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676306585	1075504834	/nfs/dbraw/zinc/50/48/34/1075504834.db2.gz	LRHRGKZMNPKFGP-XJKSGUPXSA-N	1	1	409.918	1.814	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676307915	1075505271	/nfs/dbraw/zinc/50/52/71/1075505271.db2.gz	SWKFZCPVBDFNHI-QAPCUYQASA-N	1	1	420.945	1.534	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676307915	1075505273	/nfs/dbraw/zinc/50/52/73/1075505273.db2.gz	SWKFZCPVBDFNHI-QAPCUYQASA-N	1	1	420.945	1.534	20	0		HDADMO
O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000676316920	1075506049	/nfs/dbraw/zinc/50/60/49/1075506049.db2.gz	JFCQOUFWNWZEPS-FQEVSTJZSA-N	1	1	400.523	1.270	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc2)CC1	ZINC000676320189	1075507158	/nfs/dbraw/zinc/50/71/58/1075507158.db2.gz	OBEXHWIGDJKEKO-KRWDZBQOSA-N	1	1	424.567	1.367	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2nc(N3CCOCC3)cc[nH+]2)C1	ZINC000676310818	1075508980	/nfs/dbraw/zinc/50/89/80/1075508980.db2.gz	DOVULYNJJGEQQY-AWEZNQCLSA-N	1	1	401.433	1.940	20	0		HDADMO
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N2CCCC2=O)cc1	ZINC000731759545	1075513943	/nfs/dbraw/zinc/51/39/43/1075513943.db2.gz	PFAZZQYTOJMNAR-MRXNPFEDSA-N	1	1	415.538	1.726	20	0		HDADMO
CC(C)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)NS(C)(=O)=O	ZINC000671717565	1075514333	/nfs/dbraw/zinc/51/43/33/1075514333.db2.gz	FAKHHRUFNMGGJA-HNNXBMFYSA-N	1	1	403.495	1.588	20	0		HDADMO
O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1O	ZINC000676341644	1075515217	/nfs/dbraw/zinc/51/52/17/1075515217.db2.gz	BRFVIJZBMQEMIQ-MRXNPFEDSA-N	1	1	423.535	1.160	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CC2	ZINC000676347009	1075519362	/nfs/dbraw/zinc/51/93/62/1075519362.db2.gz	FXYXDRSNEXJIAQ-FOIQADDNSA-N	1	1	419.522	1.204	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CC2	ZINC000676347009	1075519367	/nfs/dbraw/zinc/51/93/67/1075519367.db2.gz	FXYXDRSNEXJIAQ-FOIQADDNSA-N	1	1	419.522	1.204	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CC2	ZINC000676347010	1075519389	/nfs/dbraw/zinc/51/93/89/1075519389.db2.gz	FXYXDRSNEXJIAQ-MGPUTAFESA-N	1	1	419.522	1.204	20	0		HDADMO
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CC2	ZINC000676347010	1075519395	/nfs/dbraw/zinc/51/93/95/1075519395.db2.gz	FXYXDRSNEXJIAQ-MGPUTAFESA-N	1	1	419.522	1.204	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000676332262	1075522101	/nfs/dbraw/zinc/52/21/01/1075522101.db2.gz	KQPCIPHSWCVJOQ-QRTARXTBSA-N	1	1	411.449	1.728	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676332262	1075522106	/nfs/dbraw/zinc/52/21/06/1075522106.db2.gz	KQPCIPHSWCVJOQ-QRTARXTBSA-N	1	1	411.449	1.728	20	0		HDADMO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676332376	1075523140	/nfs/dbraw/zinc/52/31/40/1075523140.db2.gz	CFDGAGUROGJETM-CWFSZBLJSA-N	1	1	400.523	1.687	20	0		HDADMO
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676332376	1075523145	/nfs/dbraw/zinc/52/31/45/1075523145.db2.gz	CFDGAGUROGJETM-CWFSZBLJSA-N	1	1	400.523	1.687	20	0		HDADMO
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676333793	1075523394	/nfs/dbraw/zinc/52/33/94/1075523394.db2.gz	OZDMMNLJKISBOC-CXAGYDPISA-N	1	1	405.524	1.512	20	0		HDADMO
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676333793	1075523401	/nfs/dbraw/zinc/52/34/01/1075523401.db2.gz	OZDMMNLJKISBOC-CXAGYDPISA-N	1	1	405.524	1.512	20	0		HDADMO
C[N@@H+](CCNC(=O)C1CCN(S(=O)(=O)c2ccoc2)CC1)Cc1ccccc1	ZINC000509407476	1075525032	/nfs/dbraw/zinc/52/50/32/1075525032.db2.gz	KKDLJSYRFOOHHI-UHFFFAOYSA-N	1	1	405.520	1.929	20	0		HDADMO
COC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(OCC(F)(F)F)c1	ZINC000429426948	1075526075	/nfs/dbraw/zinc/52/60/75/1075526075.db2.gz	GPODPRWLRHFBEE-GFCCVEGCSA-N	1	1	419.400	1.945	20	0		HDADMO
COC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(OCC(F)(F)F)c1	ZINC000429426948	1075526082	/nfs/dbraw/zinc/52/60/82/1075526082.db2.gz	GPODPRWLRHFBEE-GFCCVEGCSA-N	1	1	419.400	1.945	20	0		HDADMO
CN1C(=S)N=NC1C1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1	ZINC000731810394	1075527993	/nfs/dbraw/zinc/52/79/93/1075527993.db2.gz	HUXRLFFQBKPUFR-GOSISDBHSA-N	1	1	414.579	1.799	20	0		HDADMO
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@](C)(CO)c2ccccc2)C1=O	ZINC000731844072	1075529274	/nfs/dbraw/zinc/52/92/74/1075529274.db2.gz	IXYFTTIMHJQUBE-FGZHOGPDSA-N	1	1	410.474	1.372	20	0		HDADMO
CCOC(=O)C1C(CN2CCC[C@H]([NH+](C)C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000731847328	1075530697	/nfs/dbraw/zinc/53/06/97/1075530697.db2.gz	HDRWQYZKLMMYFA-OXJNMPFZSA-N	1	1	416.522	1.892	20	0		HDADMO
CCCOc1cccc(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000676359230	1075532218	/nfs/dbraw/zinc/53/22/18/1075532218.db2.gz	MNPOQRROBYILLP-FQEVSTJZSA-N	1	1	404.555	1.724	20	0		HDADMO
C[N@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1	ZINC000731852313	1075534310	/nfs/dbraw/zinc/53/43/10/1075534310.db2.gz	NGLFKSGBHNYTHR-NSHDSACASA-N	1	1	416.341	1.571	20	0		HDADMO
C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1	ZINC000731852319	1075534362	/nfs/dbraw/zinc/53/43/62/1075534362.db2.gz	NRIDFZIYLYTZMY-UKRRQHHQSA-N	1	1	415.943	1.479	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1	ZINC000676370420	1075536039	/nfs/dbraw/zinc/53/60/39/1075536039.db2.gz	GZRVCACQBCKHLT-GOSISDBHSA-N	1	1	410.474	1.831	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC[C@@H](OCCO)C3)cc2)CC1	ZINC000676376532	1075537320	/nfs/dbraw/zinc/53/73/20/1075537320.db2.gz	RUKIZMPVMLZOJK-LJQANCHMSA-N	1	1	404.511	1.470	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)cc1F	ZINC000448504100	1075541817	/nfs/dbraw/zinc/54/18/17/1075541817.db2.gz	HEBLDXVXLLBSOM-UHFFFAOYSA-N	1	1	424.358	2.334	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676400476	1075543840	/nfs/dbraw/zinc/54/38/40/1075543840.db2.gz	FMNKKHALTXMQJU-CJNGLKHVSA-N	1	1	417.510	1.479	20	0		HDADMO
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21	ZINC000676400476	1075543845	/nfs/dbraw/zinc/54/38/45/1075543845.db2.gz	FMNKKHALTXMQJU-CJNGLKHVSA-N	1	1	417.510	1.479	20	0		HDADMO
O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1	ZINC000731838044	1075544734	/nfs/dbraw/zinc/54/47/34/1075544734.db2.gz	SVEZMYDOVLVQQJ-KRWDZBQOSA-N	1	1	404.898	1.751	20	0		HDADMO
CC(C)(C)C[N@@H+](CCO)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000731843256	1075547746	/nfs/dbraw/zinc/54/77/46/1075547746.db2.gz	NIGBWKISFRMELY-OAQYLSRUSA-N	1	1	404.511	1.301	20	0		HDADMO
O=C(CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000731842898	1075547924	/nfs/dbraw/zinc/54/79/24/1075547924.db2.gz	JYXNYMQWCJNYLH-AAEUAGOBSA-N	1	1	406.405	1.050	20	0		HDADMO
O=C(Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1)NC1CCCC1	ZINC000676427379	1075551149	/nfs/dbraw/zinc/55/11/49/1075551149.db2.gz	SIBJRYCAAQNOND-MOPGFXCFSA-N	1	1	403.527	1.315	20	0		HDADMO
CC(C)[N@H+]1CCC[C@H](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804149547	1075551746	/nfs/dbraw/zinc/55/17/46/1075551746.db2.gz	PPFNSQYUNHMZEV-YWZLYKJASA-N	1	1	407.536	1.978	20	0		HDADMO
COC[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676457866	1075554120	/nfs/dbraw/zinc/55/41/20/1075554120.db2.gz	XZXJVKGVDZZCLG-RTBURBONSA-N	1	1	411.506	1.906	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676457863	1075554233	/nfs/dbraw/zinc/55/42/33/1075554233.db2.gz	XZXJVKGVDZZCLG-MOPGFXCFSA-N	1	1	411.506	1.906	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1	ZINC000731884756	1075554461	/nfs/dbraw/zinc/55/44/61/1075554461.db2.gz	FHYYXGLLIGMTII-UHFFFAOYSA-N	1	1	402.520	1.641	20	0		HDADMO
C[C@@H](CC(=O)NC[C@@H](c1ccco1)[NH+](C)C)NS(=O)(=O)c1cccnc1Cl	ZINC000731890844	1075557864	/nfs/dbraw/zinc/55/78/64/1075557864.db2.gz	HAVCGUXHQJQELV-STQMWFEESA-N	1	1	414.915	1.804	20	0		HDADMO
CC(C)[N@@H+](C)CCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C	ZINC000509416968	1075565490	/nfs/dbraw/zinc/56/54/90/1075565490.db2.gz	ONEOCVIKGZZOGC-UHFFFAOYSA-N	1	1	423.583	1.603	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1nc2ccccc2s1	ZINC000804162954	1075566986	/nfs/dbraw/zinc/56/69/86/1075566986.db2.gz	XRUQPCXGVYGXOV-HUUCEWRRSA-N	1	1	402.520	1.654	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O	ZINC000676502312	1075570301	/nfs/dbraw/zinc/57/03/01/1075570301.db2.gz	ZCLJRYOVQZXRFE-WYSJICDVSA-N	1	1	403.527	1.365	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)O[C@H](C)C2	ZINC000676501858	1075570576	/nfs/dbraw/zinc/57/05/76/1075570576.db2.gz	WBMOZMNTYFZXNL-QAPCUYQASA-N	1	1	402.539	1.986	20	0		HDADMO
COc1cc2c(cc1CNC(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)O[C@H](C)C2	ZINC000676501858	1075570584	/nfs/dbraw/zinc/57/05/84/1075570584.db2.gz	WBMOZMNTYFZXNL-QAPCUYQASA-N	1	1	402.539	1.986	20	0		HDADMO
C[C@@H](CN1CCCC1=O)Nc1cc(N[C@@H](C)CN2CCCC2=O)c2ccncc2[nH+]1	ZINC000555925689	1075570639	/nfs/dbraw/zinc/57/06/39/1075570639.db2.gz	RJXNXWWVHNBXLO-HOTGVXAUSA-N	1	1	410.522	2.475	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1	ZINC000731919161	1075571265	/nfs/dbraw/zinc/57/12/65/1075571265.db2.gz	KCFBPTRYWITJCW-UHFFFAOYSA-N	1	1	413.474	1.729	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)CCN2C(=O)COc3ccccc32)CC1	ZINC000731919509	1075571328	/nfs/dbraw/zinc/57/13/28/1075571328.db2.gz	TXWVRMFEZTYSNQ-UHFFFAOYSA-N	1	1	404.463	1.620	20	0		HDADMO
O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000676506734	1075572188	/nfs/dbraw/zinc/57/21/88/1075572188.db2.gz	ACBMBORIPROFGT-NVXWUHKLSA-N	1	1	423.535	1.389	20	0		HDADMO
C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1nc2ccccc2s1	ZINC000804165621	1075573626	/nfs/dbraw/zinc/57/36/26/1075573626.db2.gz	DRJOPTGINDQIMY-HOTGVXAUSA-N	1	1	415.563	1.712	20	0		HDADMO
C[C@@H]1CN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)[C@@H](C)C[N@H+]1C	ZINC000509417753	1075574868	/nfs/dbraw/zinc/57/48/68/1075574868.db2.gz	QUSQZRGYRZDZHT-CVEARBPZSA-N	1	1	408.568	1.241	20	0		HDADMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000509417759	1075574878	/nfs/dbraw/zinc/57/48/78/1075574878.db2.gz	QUSQZRGYRZDZHT-JKSUJKDBSA-N	1	1	408.568	1.241	20	0		HDADMO
Cc1onc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1C	ZINC000577205737	1075578369	/nfs/dbraw/zinc/57/83/69/1075578369.db2.gz	XQQHLAAPMPOLCO-ZWKOTPCHSA-N	1	1	405.543	2.026	20	0		HDADMO
CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1OC	ZINC000731971275	1075579965	/nfs/dbraw/zinc/57/99/65/1075579965.db2.gz	PJDILCSNNGJXKY-ICSRJNTNSA-N	1	1	403.523	1.976	20	0		HDADMO
COC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000731974595	1075580936	/nfs/dbraw/zinc/58/09/36/1075580936.db2.gz	UYWKHYMANYAJPS-QGZVFWFLSA-N	1	1	404.467	1.517	20	0		HDADMO
CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)CCO2	ZINC000676530218	1075582485	/nfs/dbraw/zinc/58/24/85/1075582485.db2.gz	JAJVMHXKVWZTGA-ATZDWAIDSA-N	1	1	401.507	1.968	20	0		HDADMO
CN(C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000439590268	1075587153	/nfs/dbraw/zinc/58/71/53/1075587153.db2.gz	APKQRUKPAIPDRZ-MRXNPFEDSA-N	1	1	402.886	1.613	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1	ZINC000804167605	1075587205	/nfs/dbraw/zinc/58/72/05/1075587205.db2.gz	QGFXMDZOUDCBRC-LSDHHAIUSA-N	1	1	415.563	1.758	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1	ZINC000804167605	1075587208	/nfs/dbraw/zinc/58/72/08/1075587208.db2.gz	QGFXMDZOUDCBRC-LSDHHAIUSA-N	1	1	415.563	1.758	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n(C2CCOCC2)n1	ZINC000676546427	1075590882	/nfs/dbraw/zinc/59/08/82/1075590882.db2.gz	FJAXGDMBDUXSOT-GOSISDBHSA-N	1	1	419.526	1.195	20	0		HDADMO
COCc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1	ZINC000509422746	1075597766	/nfs/dbraw/zinc/59/77/66/1075597766.db2.gz	WESNRMBWSXAZSI-GOSISDBHSA-N	1	1	411.568	1.632	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)N(C)Cc2ncc(Cl)n2C)[NH+]2CCCC2)o1	ZINC000804177685	1075604094	/nfs/dbraw/zinc/60/40/94/1075604094.db2.gz	UGHJDOWCWWPLFS-AWEZNQCLSA-N	1	1	407.902	1.887	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCC3(OC)CCOCC3)cc2)CC1	ZINC000676593444	1075612518	/nfs/dbraw/zinc/61/25/18/1075612518.db2.gz	CNTGYOKNHMGBSB-UHFFFAOYSA-N	1	1	418.538	1.710	20	0		HDADMO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1C	ZINC000676594249	1075612876	/nfs/dbraw/zinc/61/28/76/1075612876.db2.gz	XQWWNKGWZHJTSR-ZBFHGGJFSA-N	1	1	406.493	1.708	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@H]([C@@H](C)O)C3)cc2)CC1	ZINC000676622061	1075621005	/nfs/dbraw/zinc/62/10/05/1075621005.db2.gz	ICXVCVCQEDEMCB-AEFFLSMTSA-N	1	1	416.522	1.022	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@H]([C@H](C)O)C3)cc2)CC1	ZINC000676622064	1075621034	/nfs/dbraw/zinc/62/10/34/1075621034.db2.gz	ICXVCVCQEDEMCB-WMZOPIPTSA-N	1	1	416.522	1.022	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+](C)C[C@H](O)C1CC1	ZINC000676632006	1075625205	/nfs/dbraw/zinc/62/52/05/1075625205.db2.gz	BHMRGHRZXGXZEU-IBGZPJMESA-N	1	1	422.551	1.280	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+](C)C[C@H](O)C1CC1	ZINC000676632006	1075625209	/nfs/dbraw/zinc/62/52/09/1075625209.db2.gz	BHMRGHRZXGXZEU-IBGZPJMESA-N	1	1	422.551	1.280	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C	ZINC000804183288	1075627299	/nfs/dbraw/zinc/62/72/99/1075627299.db2.gz	QWPKLCRDTQOZNJ-WMZOPIPTSA-N	1	1	418.538	1.606	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)CC1	ZINC000732121468	1075629685	/nfs/dbraw/zinc/62/96/85/1075629685.db2.gz	LCGGFXDMIPJOTM-XDJHFCHBSA-N	1	1	400.483	1.169	20	0		HDADMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000429454833	1075630681	/nfs/dbraw/zinc/63/06/81/1075630681.db2.gz	UICWBHVVGADHIU-SFHVURJKSA-N	1	1	401.555	1.849	20	0		HDADMO
O=C(CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)N1CCOc2ccccc21	ZINC000732128194	1075631405	/nfs/dbraw/zinc/63/14/05/1075631405.db2.gz	UPJJJCFBXHUMOM-SFHVURJKSA-N	1	1	401.507	1.906	20	0		HDADMO
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CCC[NH+]1CCN(C)CC1	ZINC000732114474	1075635951	/nfs/dbraw/zinc/63/59/51/1075635951.db2.gz	NNISIDUTNGHRQZ-XDJHFCHBSA-N	1	1	401.490	1.215	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2nc(N)nc(Nc3ccccc3C)n2)C1	ZINC000505790839	1075636163	/nfs/dbraw/zinc/63/61/63/1075636163.db2.gz	PQEGYDWDAIYDML-HOTGVXAUSA-N	1	1	413.526	1.291	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2nc(N)nc(Nc3ccccc3C)n2)C1	ZINC000505790839	1075636166	/nfs/dbraw/zinc/63/61/66/1075636166.db2.gz	PQEGYDWDAIYDML-HOTGVXAUSA-N	1	1	413.526	1.291	20	0		HDADMO
COc1cc[nH+]c(N2CCN([C@@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1	ZINC000532966264	1075647762	/nfs/dbraw/zinc/64/77/62/1075647762.db2.gz	SXGPCFJZSMLHNK-HNNXBMFYSA-N	1	1	406.494	1.906	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1	ZINC000732150016	1075650277	/nfs/dbraw/zinc/65/02/77/1075650277.db2.gz	UEVMRBSAUMGLKH-NFBGKYEXSA-N	1	1	407.478	1.293	20	0		HDADMO
COc1ccc(COC[C@@H](O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC	ZINC000676701259	1075651700	/nfs/dbraw/zinc/65/17/00/1075651700.db2.gz	BLVJXHYFTLGIAF-UXHICEINSA-N	1	1	407.555	1.293	20	0		HDADMO
CC(C)CN(C(=O)CON=C(N)C[N@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000732195148	1075656974	/nfs/dbraw/zinc/65/69/74/1075656974.db2.gz	JJMDVAZSNSTBHA-HOTGVXAUSA-N	1	1	402.561	1.031	20	0		HDADMO
COC1(CO)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1	ZINC000676723497	1075659479	/nfs/dbraw/zinc/65/94/79/1075659479.db2.gz	WZDKZHQXTJJRFB-IBGZPJMESA-N	1	1	417.550	1.403	20	0		HDADMO
CNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1	ZINC000732207052	1075663647	/nfs/dbraw/zinc/66/36/47/1075663647.db2.gz	NYQCXLMBFOGBOX-CVEARBPZSA-N	1	1	412.490	1.995	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000732207117	1075664468	/nfs/dbraw/zinc/66/44/68/1075664468.db2.gz	QAIIKUHAONZPJV-ZDUSSCGKSA-N	1	1	414.528	1.508	20	0		HDADMO
C[C@@H](C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[NH+]1CCSCC1	ZINC000482055780	1075666399	/nfs/dbraw/zinc/66/63/99/1075666399.db2.gz	WIBPWEARQCNIOD-HNNXBMFYSA-N	1	1	400.552	1.294	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(Cc2ccsc2)CC1	ZINC000732210745	1075667291	/nfs/dbraw/zinc/66/72/91/1075667291.db2.gz	KKKGCYZEQRDMRG-IBGZPJMESA-N	1	1	404.580	1.869	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000549165457	1075667938	/nfs/dbraw/zinc/66/79/38/1075667938.db2.gz	JFFPDSFSWVOZAB-DOTOQJQBSA-N	1	1	411.506	1.757	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000549165457	1075667939	/nfs/dbraw/zinc/66/79/39/1075667939.db2.gz	JFFPDSFSWVOZAB-DOTOQJQBSA-N	1	1	411.506	1.757	20	0		HDADMO
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000732214595	1075669864	/nfs/dbraw/zinc/66/98/64/1075669864.db2.gz	KTZBVNQWDZCIJG-HOCLYGCPSA-N	1	1	404.492	1.810	20	0		HDADMO
Cc1n[nH]cc1S(=O)(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1	ZINC000732216180	1075670922	/nfs/dbraw/zinc/67/09/22/1075670922.db2.gz	OLRXXXFBBZVXSE-QGZVFWFLSA-N	1	1	403.508	1.002	20	0		HDADMO
CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1	ZINC000676738599	1075671003	/nfs/dbraw/zinc/67/10/03/1075671003.db2.gz	BBINTHOEVYYLNB-VQIMIIECSA-N	1	1	407.561	1.967	20	0		HDADMO
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(c2cn[nH]c2)CC1	ZINC000507182176	1075677128	/nfs/dbraw/zinc/67/71/28/1075677128.db2.gz	UDPJYNCPROVEAZ-AWEZNQCLSA-N	1	1	405.524	1.867	20	0		HDADMO
C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000429464254	1075678572	/nfs/dbraw/zinc/67/85/72/1075678572.db2.gz	DPTVLQHXOXBPEP-RTBURBONSA-N	1	1	415.582	1.609	20	0		HDADMO
C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000429464254	1075678573	/nfs/dbraw/zinc/67/85/73/1075678573.db2.gz	DPTVLQHXOXBPEP-RTBURBONSA-N	1	1	415.582	1.609	20	0		HDADMO
C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000429464252	1075678627	/nfs/dbraw/zinc/67/86/27/1075678627.db2.gz	DPTVLQHXOXBPEP-OALUTQOASA-N	1	1	415.582	1.609	20	0		HDADMO
C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000429464252	1075678630	/nfs/dbraw/zinc/67/86/30/1075678630.db2.gz	DPTVLQHXOXBPEP-OALUTQOASA-N	1	1	415.582	1.609	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=O)NCCS(=O)(=O)CC)CC2)cs1	ZINC000732253403	1075688004	/nfs/dbraw/zinc/68/80/04/1075688004.db2.gz	HEGISKBOSQCLFB-UHFFFAOYSA-N	1	1	402.586	1.651	20	0		HDADMO
Cc1nc(CN2CCC(CNC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)oc1C	ZINC000732257541	1075688590	/nfs/dbraw/zinc/68/85/90/1075688590.db2.gz	SATGTFFFDUYXNG-MOPGFXCFSA-N	1	1	405.543	1.666	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1	ZINC000509435349	1075691038	/nfs/dbraw/zinc/69/10/38/1075691038.db2.gz	JPCKLFNYDBNTSI-WOJBJXKFSA-N	1	1	415.582	1.411	20	0		HDADMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1=O	ZINC000429464834	1075691159	/nfs/dbraw/zinc/69/11/59/1075691159.db2.gz	DUVPSCHKQSOFIZ-RLLQIKCJSA-N	1	1	415.538	1.325	20	0		HDADMO
NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2cccs2)CC1	ZINC000029066740	1075691303	/nfs/dbraw/zinc/69/13/03/1075691303.db2.gz	SQXRBLDGRNXZEP-UHFFFAOYSA-N	1	1	400.548	1.770	20	0		HDADMO
CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1	ZINC000464731051	1075699229	/nfs/dbraw/zinc/69/92/29/1075699229.db2.gz	CWYNIEWIPVFOJM-CHWSQXEVSA-N	1	1	417.480	2.094	20	0		HDADMO
CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1	ZINC000464731051	1075699231	/nfs/dbraw/zinc/69/92/31/1075699231.db2.gz	CWYNIEWIPVFOJM-CHWSQXEVSA-N	1	1	417.480	2.094	20	0		HDADMO
CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509437662	1075700178	/nfs/dbraw/zinc/70/01/78/1075700178.db2.gz	KRAISBNYWKJXMD-AZUAARDMSA-N	1	1	402.539	1.197	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C[C@@H](C)O1	ZINC000438772131	1075703024	/nfs/dbraw/zinc/70/30/24/1075703024.db2.gz	LXCMXFOLYCVFFZ-LMMKCTJWSA-N	1	1	411.506	1.911	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)cc2)C[C@@H](C)O1	ZINC000732324896	1075703881	/nfs/dbraw/zinc/70/38/81/1075703881.db2.gz	FPGCFTXWOATKRO-QINHECLXSA-N	1	1	412.490	1.992	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C[N@H+]1C1CC1	ZINC000486216704	1075704574	/nfs/dbraw/zinc/70/45/74/1075704574.db2.gz	BZTGPDKSILGTJG-CVEARBPZSA-N	1	1	409.538	1.664	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@H]1C(C)(C)O	ZINC000509437294	1075705628	/nfs/dbraw/zinc/70/56/28/1075705628.db2.gz	JQRXSGGHBYEKNT-HKUYNNGSSA-N	1	1	402.539	1.075	20	0		HDADMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1	ZINC000485494451	1075707292	/nfs/dbraw/zinc/70/72/92/1075707292.db2.gz	SJUQIDABOWIEJP-INIZCTEOSA-N	1	1	422.537	1.880	20	0		HDADMO
O=C(COC(=O)C(=O)NCCCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000732338332	1075709184	/nfs/dbraw/zinc/70/91/84/1075709184.db2.gz	WZCJMSOPGPQXJI-UHFFFAOYSA-N	1	1	423.513	1.623	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@H]1C[C@H](C)O	ZINC000509436563	1075710685	/nfs/dbraw/zinc/71/06/85/1075710685.db2.gz	GKFRMDVGNGFJKZ-HBFSDRIKSA-N	1	1	402.539	1.075	20	0		HDADMO
Cc1cccc(N2CCC(NC(=O)N3CCN(c4nc(N)ns4)CC3)CC2)[nH+]1	ZINC000426470415	1075715144	/nfs/dbraw/zinc/71/51/44/1075715144.db2.gz	QABUEXDFVYNKBP-UHFFFAOYSA-N	1	1	402.528	1.324	20	0		HDADMO
C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426155101	1075718369	/nfs/dbraw/zinc/71/83/69/1075718369.db2.gz	VTDNGNJYPHOXOQ-NEPJUHHUSA-N	1	1	409.416	1.681	20	0		HDADMO
C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000426155101	1075718373	/nfs/dbraw/zinc/71/83/73/1075718373.db2.gz	VTDNGNJYPHOXOQ-NEPJUHHUSA-N	1	1	409.416	1.681	20	0		HDADMO
Cc1cscc1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509439866	1075720074	/nfs/dbraw/zinc/72/00/74/1075720074.db2.gz	FSFDLKSNGBXQRG-QGZVFWFLSA-N	1	1	400.548	2.000	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1	ZINC000463264335	1075720708	/nfs/dbraw/zinc/72/07/08/1075720708.db2.gz	GCOXLHLWZYTFRK-GOEBONIOSA-N	1	1	401.540	1.472	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)nc2ccccc12	ZINC000530476736	1075724228	/nfs/dbraw/zinc/72/42/28/1075724228.db2.gz	WPFKRAYNLOFTLN-UHFFFAOYSA-N	1	1	412.538	1.359	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccn2c(=O)[nH]nc12	ZINC000509259332	1075731826	/nfs/dbraw/zinc/73/18/26/1075731826.db2.gz	TWYHEFQSHATBMQ-UHFFFAOYSA-N	1	1	400.870	1.640	20	0		HDADMO
Cn1nc(NC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C1CC1	ZINC000576233061	1075737377	/nfs/dbraw/zinc/73/73/77/1075737377.db2.gz	KGCLYDRDHIRNDU-GOSISDBHSA-N	1	1	410.522	2.317	20	0		HDADMO
C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[N@H+]1C	ZINC000509258968	1075738003	/nfs/dbraw/zinc/73/80/03/1075738003.db2.gz	QHEMBGSTDDJKAM-PMPSAXMXSA-N	1	1	414.597	1.883	20	0		HDADMO
O=C1CCCN1C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000732413213	1075738723	/nfs/dbraw/zinc/73/87/23/1075738723.db2.gz	QVHKMYNAHVUMAW-QZTJIDSGSA-N	1	1	400.479	1.341	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CCCC[C@H]2C2OCCO2)c2cccs2)CC1	ZINC000732443413	1075746267	/nfs/dbraw/zinc/74/62/67/1075746267.db2.gz	XTPCMBDJARNMOI-DLBZAZTESA-N	1	1	408.568	1.974	20	0		HDADMO
C[C@H](CN1CCCC1=O)Nc1cc(N[C@@H](C)CN2CCCC2=O)[nH+]c2cnccc12	ZINC000555925688	1075754303	/nfs/dbraw/zinc/75/43/03/1075754303.db2.gz	RJXNXWWVHNBXLO-CVEARBPZSA-N	1	1	410.522	2.475	20	0		HDADMO
C[C@H](CN1CCOCC1)Nc1cc(N[C@@H](C)C[NH+]2CCOCC2)c2ccncc2n1	ZINC000555896335	1075754967	/nfs/dbraw/zinc/75/49/67/1075754967.db2.gz	MVLACFFPOKKWGR-ZWKOTPCHSA-N	1	1	414.554	1.895	20	0		HDADMO
CN(CCO)S(=O)(=O)c1ccccc1CNc1cc[nH+]c(N2CCCCC2)n1	ZINC000542764325	1075762014	/nfs/dbraw/zinc/76/20/14/1075762014.db2.gz	DELMKASAZCTLJV-UHFFFAOYSA-N	1	1	405.524	1.692	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCc3ccccc3C2=O)CC1=O	ZINC000466642288	1075762625	/nfs/dbraw/zinc/76/26/25/1075762625.db2.gz	BAIRCWGLBMABFZ-MOPGFXCFSA-N	1	1	412.534	1.134	20	0		HDADMO
Ic1cnc(NCC[NH+]2CCN(c3ccccc3)CC2)nc1	ZINC000546621755	1075768164	/nfs/dbraw/zinc/76/81/64/1075768164.db2.gz	HACTWARPWPMAEH-UHFFFAOYSA-N	1	1	409.275	2.315	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cn1	ZINC000732571621	1075782625	/nfs/dbraw/zinc/78/26/25/1075782625.db2.gz	FZTFDUJJASZCEM-QGZVFWFLSA-N	1	1	419.489	1.753	20	0		HDADMO
CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000732560020	1075786340	/nfs/dbraw/zinc/78/63/40/1075786340.db2.gz	UBYZEVJSVUKADG-LJQANCHMSA-N	1	1	413.497	1.612	20	0		HDADMO
CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732560020	1075786346	/nfs/dbraw/zinc/78/63/46/1075786346.db2.gz	UBYZEVJSVUKADG-LJQANCHMSA-N	1	1	413.497	1.612	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)Cc2ccccc2N2CCOCC2)C1	ZINC000016425189	1075787214	/nfs/dbraw/zinc/78/72/14/1075787214.db2.gz	ZCSPZADTJJWAET-NRFANRHFSA-N	1	1	418.582	1.428	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3cccc(F)c3)on2)CC1	ZINC000448094372	1075790447	/nfs/dbraw/zinc/79/04/47/1075790447.db2.gz	NITAZMQUUKIJQQ-INIZCTEOSA-N	1	1	401.442	2.251	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNc3nc4c(cnn4C(C)(C)C)c(=O)[nH]3)cc2)CC1	ZINC000590053638	1075791146	/nfs/dbraw/zinc/79/11/46/1075791146.db2.gz	FNSVAGBHGWTHRQ-UHFFFAOYSA-N	1	1	423.521	2.287	20	0		HDADMO
CC(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nncn1C	ZINC000509274685	1075793366	/nfs/dbraw/zinc/79/33/66/1075793366.db2.gz	RUYTXIZNZUJXEW-QYZOEREBSA-N	1	1	400.527	1.694	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C1	ZINC000438322475	1075796072	/nfs/dbraw/zinc/79/60/72/1075796072.db2.gz	OETLQNPAPZTFFI-VQTJNVASSA-N	1	1	418.586	2.334	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C1	ZINC000468426110	1075797716	/nfs/dbraw/zinc/79/77/16/1075797716.db2.gz	CEXBBVBHGGFIQL-SFHVURJKSA-N	1	1	412.538	2.088	20	0		HDADMO
COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC[NH+]1CCC(OC)CC1	ZINC000611025177	1075813240	/nfs/dbraw/zinc/81/32/40/1075813240.db2.gz	YVOPDWNEYBXYCP-UHFFFAOYSA-N	1	1	424.441	1.881	20	0		HDADMO
O=C(CS[C@H]1CCS(=O)(=O)C1)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000732661136	1075819771	/nfs/dbraw/zinc/81/97/71/1075819771.db2.gz	PUZLXBZRZLRSAI-HNNXBMFYSA-N	1	1	406.639	1.775	20	0		HDADMO
CCOC(=O)CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000611045652	1075820236	/nfs/dbraw/zinc/82/02/36/1075820236.db2.gz	HPPGCSQJGMOUMZ-MOPGFXCFSA-N	1	1	423.554	1.282	20	0		HDADMO
CCOC(=O)CC[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1	ZINC000611065822	1075823482	/nfs/dbraw/zinc/82/34/82/1075823482.db2.gz	HESZLVUMARBVER-QZTJIDSGSA-N	1	1	410.559	1.694	20	0		HDADMO
CC(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(=O)Nc1cc[nH]n1	ZINC000479650786	1075833186	/nfs/dbraw/zinc/83/31/86/1075833186.db2.gz	JBMSQQSHGGXANI-IBGZPJMESA-N	1	1	412.538	1.940	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2I)C[C@H]1C	ZINC000611100733	1075833684	/nfs/dbraw/zinc/83/36/84/1075833684.db2.gz	PMBPFTSRTMJDCG-LLVKDONJSA-N	1	1	401.248	1.782	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2I)C[C@H]1C	ZINC000611100733	1075833690	/nfs/dbraw/zinc/83/36/90/1075833690.db2.gz	PMBPFTSRTMJDCG-LLVKDONJSA-N	1	1	401.248	1.782	20	0		HDADMO
CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]32)n1	ZINC001085039739	1075833812	/nfs/dbraw/zinc/83/38/12/1075833812.db2.gz	MUWKNHOXGXIXER-DZVNLGKHSA-N	1	1	402.543	1.461	20	0		HDADMO
CCCCN(C(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000429290826	1075835017	/nfs/dbraw/zinc/83/50/17/1075835017.db2.gz	SIAQDMQPGUKRGA-KBPBESRZSA-N	1	1	409.531	1.308	20	0		HDADMO
CCOC(=O)Cn1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1=O	ZINC000611097628	1075841655	/nfs/dbraw/zinc/84/16/55/1075841655.db2.gz	QIHDPVBBKHMHSE-CRAIPNDOSA-N	1	1	402.495	1.892	20	0		HDADMO
CCOC(=O)Cn1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1=O	ZINC000611097567	1075841781	/nfs/dbraw/zinc/84/17/81/1075841781.db2.gz	IFYNEHREZGUEDP-INIZCTEOSA-N	1	1	406.483	1.130	20	0		HDADMO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000564777262	1075843691	/nfs/dbraw/zinc/84/36/91/1075843691.db2.gz	HXJYYMLYDOPXOX-GFCCVEGCSA-N	1	1	412.416	2.070	20	0		HDADMO
CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cs1	ZINC000732764953	1075848409	/nfs/dbraw/zinc/84/84/09/1075848409.db2.gz	VLKUSCZSHBSFME-LSDHHAIUSA-N	1	1	410.540	1.839	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCSCC(C)C)cc2)CC1	ZINC000611131329	1075848435	/nfs/dbraw/zinc/84/84/35/1075848435.db2.gz	CCEOWXHNXFGCQS-UHFFFAOYSA-N	1	1	420.579	1.908	20	0		HDADMO
CC(C)N1C[C@@H](Nc2cc(N[C@H]3CC(=O)N(C(C)C)C3)c3ccncc3[nH+]2)CC1=O	ZINC000550388324	1075848390	/nfs/dbraw/zinc/84/83/90/1075848390.db2.gz	SUYPLHAFNZUIGR-HOTGVXAUSA-N	1	1	410.522	2.472	20	0		HDADMO
O=C(c1cncc(I)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000611135082	1075849854	/nfs/dbraw/zinc/84/98/54/1075849854.db2.gz	KAELDTGEGDEZFM-KBPBESRZSA-N	1	1	401.248	1.357	20	0		HDADMO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cncc(I)c3)C2)CC1	ZINC000611134787	1075849882	/nfs/dbraw/zinc/84/98/82/1075849882.db2.gz	VBTBVLXZZVGEEC-CQSZACIVSA-N	1	1	414.291	1.585	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cncc(I)c3)C2)CC1	ZINC000611134787	1075849889	/nfs/dbraw/zinc/84/98/89/1075849889.db2.gz	VBTBVLXZZVGEEC-CQSZACIVSA-N	1	1	414.291	1.585	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000732771833	1075852342	/nfs/dbraw/zinc/85/23/42/1075852342.db2.gz	NEAMPCXFQDFSQK-UHFFFAOYSA-N	1	1	401.504	1.308	20	0		HDADMO
COCC1CCN(CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1	ZINC000732797092	1075860459	/nfs/dbraw/zinc/86/04/59/1075860459.db2.gz	DPZKSVYMWUFCIW-QFIPXVFZSA-N	1	1	400.523	1.889	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C(F)(F)F)n1	ZINC000732779155	1075863898	/nfs/dbraw/zinc/86/38/98/1075863898.db2.gz	RDNSSUNVGYONFG-DYVFJYSZSA-N	1	1	420.501	1.876	20	0		HDADMO
Cc1csc([C@@](O)(CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(F)(F)F)n1	ZINC000732779155	1075863904	/nfs/dbraw/zinc/86/39/04/1075863904.db2.gz	RDNSSUNVGYONFG-DYVFJYSZSA-N	1	1	420.501	1.876	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)C2)CC1	ZINC000732781384	1075864660	/nfs/dbraw/zinc/86/46/60/1075864660.db2.gz	QMAYCTCMRIUZLP-GOSISDBHSA-N	1	1	415.513	1.589	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)C2)CC1	ZINC000732781384	1075864664	/nfs/dbraw/zinc/86/46/64/1075864664.db2.gz	QMAYCTCMRIUZLP-GOSISDBHSA-N	1	1	415.513	1.589	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)C2)CC1	ZINC000732781395	1075864714	/nfs/dbraw/zinc/86/47/14/1075864714.db2.gz	QYPHSXAYALEPPT-AZUAARDMSA-N	1	1	400.523	1.855	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)C2)CC1	ZINC000732781395	1075864717	/nfs/dbraw/zinc/86/47/17/1075864717.db2.gz	QYPHSXAYALEPPT-AZUAARDMSA-N	1	1	400.523	1.855	20	0		HDADMO
COC(=O)c1ccccc1NC(=O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000611180899	1075868465	/nfs/dbraw/zinc/86/84/65/1075868465.db2.gz	FGWXREJYUIZSCX-UHFFFAOYSA-N	1	1	402.539	1.902	20	0		HDADMO
COC(=O)c1cccc(NC(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1	ZINC000611181068	1075868661	/nfs/dbraw/zinc/86/86/61/1075868661.db2.gz	DRLJJEIUGXUVTA-UHFFFAOYSA-N	1	1	402.539	1.902	20	0		HDADMO
C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810314	1075871374	/nfs/dbraw/zinc/87/13/74/1075871374.db2.gz	LGCBLQRCBPUUDW-OAHLLOKOSA-N	1	1	413.444	1.215	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732812940	1075874894	/nfs/dbraw/zinc/87/48/94/1075874894.db2.gz	FQAJADVYAQOMMU-GOEBONIOSA-N	1	1	403.401	1.480	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)CC1	ZINC000732835053	1075874982	/nfs/dbraw/zinc/87/49/82/1075874982.db2.gz	VEEQTGKALPHAKR-KZIRBZLESA-N	1	1	420.579	1.252	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)CC1	ZINC000732835053	1075874988	/nfs/dbraw/zinc/87/49/88/1075874988.db2.gz	VEEQTGKALPHAKR-KZIRBZLESA-N	1	1	420.579	1.252	20	0		HDADMO
O=C1C[C@@H]([N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C(=O)N1CCc1ccccc1F	ZINC000732818774	1075878692	/nfs/dbraw/zinc/87/86/92/1075878692.db2.gz	IARRTBUBZXUJFY-IEBWSBKVSA-N	1	1	401.482	1.973	20	0		HDADMO
O=C1C[C@@H]([N@H+]2CCC[C@@H](N3CCCCC3=O)C2)C(=O)N1CCc1ccccc1F	ZINC000732818774	1075878697	/nfs/dbraw/zinc/87/86/97/1075878697.db2.gz	IARRTBUBZXUJFY-IEBWSBKVSA-N	1	1	401.482	1.973	20	0		HDADMO
COC(=O)c1cccc([C@@H](C(=O)OC)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000611244300	1075884606	/nfs/dbraw/zinc/88/46/06/1075884606.db2.gz	QBDHFEOCHDSMMU-ROUUACIJSA-N	1	1	403.479	1.101	20	0		HDADMO
COC(=O)c1cc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc(C(=O)OC)c1	ZINC000611244219	1075884983	/nfs/dbraw/zinc/88/49/83/1075884983.db2.gz	KCDPKVAPBHINSJ-GOSISDBHSA-N	1	1	403.479	1.174	20	0		HDADMO
CCOC(=O)c1ccccc1NC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000611244384	1075886044	/nfs/dbraw/zinc/88/60/44/1075886044.db2.gz	ZZAATQDWWZVNFD-GOSISDBHSA-N	1	1	402.495	1.216	20	0		HDADMO
COc1c(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c(C)nn1C	ZINC000732852430	1075886171	/nfs/dbraw/zinc/88/61/71/1075886171.db2.gz	UQURCIFMOLXHJB-UHFFFAOYSA-N	1	1	400.479	1.547	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N2C[C@H](C)O[C@@H](C)C2)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265835	1075889258	/nfs/dbraw/zinc/88/92/58/1075889258.db2.gz	JWKQFSVHOQPVRM-SPEDKVCISA-N	1	1	403.523	1.420	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N2C[C@H](C)O[C@@H](C)C2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265835	1075889265	/nfs/dbraw/zinc/88/92/65/1075889265.db2.gz	JWKQFSVHOQPVRM-SPEDKVCISA-N	1	1	403.523	1.420	20	0		HDADMO
COC(=O)[C@]1(NCc2nnnn2-c2ccccc2)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265753	1075889289	/nfs/dbraw/zinc/88/92/89/1075889289.db2.gz	CLSFYBLBEBPQJE-QFIPXVFZSA-N	1	1	406.490	1.960	20	0		HDADMO
COC(=O)[C@]1(NCc2nnnn2-c2ccccc2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265753	1075889296	/nfs/dbraw/zinc/88/92/96/1075889296.db2.gz	CLSFYBLBEBPQJE-QFIPXVFZSA-N	1	1	406.490	1.960	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1	ZINC000732887240	1075892958	/nfs/dbraw/zinc/89/29/58/1075892958.db2.gz	XCBZITMBTYKEJX-MCIONIFRSA-N	1	1	408.465	1.679	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1	ZINC000732887241	1075893025	/nfs/dbraw/zinc/89/30/25/1075893025.db2.gz	XCBZITMBTYKEJX-MGPQQGTHSA-N	1	1	408.465	1.679	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732887202	1075893231	/nfs/dbraw/zinc/89/32/31/1075893231.db2.gz	HUMLDRCEHVDKCD-MSOLQXFVSA-N	1	1	407.559	1.116	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732887203	1075893324	/nfs/dbraw/zinc/89/33/24/1075893324.db2.gz	HUMLDRCEHVDKCD-QZTJIDSGSA-N	1	1	407.559	1.116	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732871393	1075901846	/nfs/dbraw/zinc/90/18/46/1075901846.db2.gz	HBRPJBQTSUEHAY-UXHICEINSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732871393	1075901848	/nfs/dbraw/zinc/90/18/48/1075901848.db2.gz	HBRPJBQTSUEHAY-UXHICEINSA-N	1	1	413.518	1.590	20	0		HDADMO
CCOC(=O)c1sc2nc(CN3CC[NH+]([C@@H]4CCOC4)CC3)nc(N)c2c1C	ZINC000611348863	1075912962	/nfs/dbraw/zinc/91/29/62/1075912962.db2.gz	NNJHZJUYIZPQPF-CYBMUJFWSA-N	1	1	405.524	1.665	20	0		HDADMO
C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000611348766	1075912972	/nfs/dbraw/zinc/91/29/72/1075912972.db2.gz	HTOBQCJLVXWINQ-GBCUEWQUSA-N	1	1	404.555	1.576	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC1	ZINC000611434830	1075933170	/nfs/dbraw/zinc/93/31/70/1075933170.db2.gz	PURIEBNIUDLCIQ-UHFFFAOYSA-N	1	1	404.511	1.605	20	0		HDADMO
C[C@@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCCC[C@H]1C	ZINC000732991083	1075941672	/nfs/dbraw/zinc/94/16/72/1075941672.db2.gz	BSBCRTKGNSWRQV-KGLIPLIRSA-N	1	1	410.531	1.813	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CC1=O	ZINC000733123426	1075978239	/nfs/dbraw/zinc/97/82/39/1075978239.db2.gz	LCNOSZAYXMNXDK-YLJYHZDGSA-N	1	1	400.523	1.795	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nn2cnc3sc(C)c(C)c3c2=O)CC1=O	ZINC000733129343	1075979516	/nfs/dbraw/zinc/97/95/16/1075979516.db2.gz	WDRQGTIJOWUJFN-HUUCEWRRSA-N	1	1	417.535	1.478	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O	ZINC000733133859	1075981027	/nfs/dbraw/zinc/98/10/27/1075981027.db2.gz	GDSCIMAGWXIYFR-FUHWJXTLSA-N	1	1	422.570	1.835	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163390	1075983577	/nfs/dbraw/zinc/98/35/77/1075983577.db2.gz	DOHNMAYKZBKZLS-JYEJUDTESA-N	1	1	401.551	1.780	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080163390	1075983579	/nfs/dbraw/zinc/98/35/79/1075983579.db2.gz	DOHNMAYKZBKZLS-JYEJUDTESA-N	1	1	401.551	1.780	20	0		HDADMO
CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1	ZINC001080180521	1075985171	/nfs/dbraw/zinc/98/51/71/1075985171.db2.gz	NZKQYSACNZAWIE-RBUQIHAASA-N	1	1	401.507	1.034	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001080180340	1075985234	/nfs/dbraw/zinc/98/52/34/1075985234.db2.gz	FFQQWPOUXUMBNB-CXUWRLRHSA-N	1	1	402.520	1.679	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(C3N=NC(=S)N3C)CC2)CC1=O	ZINC000733151201	1075987323	/nfs/dbraw/zinc/98/73/23/1075987323.db2.gz	BFCFMUKAVHUOJC-JKSUJKDBSA-N	1	1	420.583	1.143	20	0		HDADMO
CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)N1CC[NH+](C)CC1	ZINC000733157347	1075990290	/nfs/dbraw/zinc/99/02/90/1075990290.db2.gz	SPJWXNQIOXNQRY-HUUCEWRRSA-N	1	1	408.465	1.538	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2C)no1	ZINC000510732173	1075991151	/nfs/dbraw/zinc/99/11/51/1075991151.db2.gz	HCONWHALSCICBV-GOSISDBHSA-N	1	1	401.515	1.173	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOC[C@@H]2c2nnc(-c3ccccc3)o2)C[C@H](C)O1	ZINC000510954510	1075991900	/nfs/dbraw/zinc/99/19/00/1075991900.db2.gz	UTDSDFPTFIMFKI-OGWHTMIXSA-N	1	1	402.495	1.580	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCOC[C@@H]2c2nnc(-c3ccccc3)o2)C[C@H](C)O1	ZINC000510954510	1075991907	/nfs/dbraw/zinc/99/19/07/1075991907.db2.gz	UTDSDFPTFIMFKI-OGWHTMIXSA-N	1	1	402.495	1.580	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H](O)CN2CCOC[C@@H]2c2nnc(-c3ccccc3)o2)C[C@@H](C)O1	ZINC000510954511	1075992063	/nfs/dbraw/zinc/99/20/63/1075992063.db2.gz	UTDSDFPTFIMFKI-ZAWLATJESA-N	1	1	402.495	1.580	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1	ZINC000733164170	1075997760	/nfs/dbraw/zinc/99/77/60/1075997760.db2.gz	ZJYQOXYOWKKBKZ-UHFFFAOYSA-N	1	1	407.536	1.802	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@@H+](CCO)Cc2cc(Br)cs2)C[C@@H](C)O1	ZINC000494247080	1075999377	/nfs/dbraw/zinc/99/93/77/1075999377.db2.gz	HEPLTGNUPNPSJB-NFAWXSAZSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H](O)CN(CCO)Cc2cc(Br)cs2)C[C@@H](C)O1	ZINC000494247080	1075999383	/nfs/dbraw/zinc/99/93/83/1075999383.db2.gz	HEPLTGNUPNPSJB-NFAWXSAZSA-N	1	1	407.374	1.775	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1	ZINC000733170018	1075999796	/nfs/dbraw/zinc/99/97/96/1075999796.db2.gz	INCQNCSDGRCXEK-SMEDBKPVSA-N	1	1	415.517	1.509	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC001081102015	1076002308	/nfs/dbraw/zinc/00/23/08/1076002308.db2.gz	YPSFBALATULXJE-UCTAPSKPSA-N	1	1	403.567	1.839	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1	ZINC000733197928	1076003202	/nfs/dbraw/zinc/00/32/02/1076003202.db2.gz	VQQPIOVHTQXDHQ-ULXKQSRTSA-N	1	1	421.563	1.490	20	0		HDADMO
CO[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC001081707584	1076006258	/nfs/dbraw/zinc/00/62/58/1076006258.db2.gz	MXWZHGVMOXBBEQ-CWQOZTLDSA-N	1	1	402.543	1.388	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC001081707584	1076006261	/nfs/dbraw/zinc/00/62/61/1076006261.db2.gz	MXWZHGVMOXBBEQ-CWQOZTLDSA-N	1	1	402.543	1.388	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)no1	ZINC000513995586	1076014254	/nfs/dbraw/zinc/01/42/54/1076014254.db2.gz	YNORKLFFTFVWME-NVXWUHKLSA-N	1	1	406.531	1.496	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCCCCn3cc[nH+]c3C)C2)no1	ZINC000514025777	1076016551	/nfs/dbraw/zinc/01/65/51/1076016551.db2.gz	ZLXOCXGJAZFTPB-KRWDZBQOSA-N	1	1	417.514	1.750	20	0		HDADMO
CCOc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)cc1	ZINC001081959615	1076019413	/nfs/dbraw/zinc/01/94/13/1076019413.db2.gz	PNVPGMVIGMUMLW-QQEKQYBASA-N	1	1	416.518	1.703	20	0		HDADMO
CCOc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](OC)C1	ZINC001081959629	1076020033	/nfs/dbraw/zinc/02/00/33/1076020033.db2.gz	QGSJWTBRYPMCBO-XRVNHRQWSA-N	1	1	416.518	1.703	20	0		HDADMO
CCOc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](OC)C1	ZINC001081959629	1076020037	/nfs/dbraw/zinc/02/00/37/1076020037.db2.gz	QGSJWTBRYPMCBO-XRVNHRQWSA-N	1	1	416.518	1.703	20	0		HDADMO
COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)cc1	ZINC001081974835	1076020926	/nfs/dbraw/zinc/02/09/26/1076020926.db2.gz	DYYGVKPRZZYUGP-AYZHRIAMSA-N	1	1	404.507	1.105	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC(=O)OCc2ccccc2Cl)CC1=O	ZINC000733282665	1076030774	/nfs/dbraw/zinc/03/07/74/1076030774.db2.gz	JNMUYDMMBLZQBA-IRXDYDNUSA-N	1	1	421.925	1.832	20	0		HDADMO
COCC[N@H+](CCC(=O)OC)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000733309702	1076035096	/nfs/dbraw/zinc/03/50/96/1076035096.db2.gz	LKOYJGMTJYDRCA-KRWDZBQOSA-N	1	1	406.479	1.633	20	0		HDADMO
COCC[N@@H+](CCC(=O)OC)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000733309702	1076035106	/nfs/dbraw/zinc/03/51/06/1076035106.db2.gz	LKOYJGMTJYDRCA-KRWDZBQOSA-N	1	1	406.479	1.633	20	0		HDADMO
COC[C@]1(C)NC(=O)N(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1=O	ZINC000733290951	1076039577	/nfs/dbraw/zinc/03/95/77/1076039577.db2.gz	DLDNUGFCNVNSJQ-IBGZPJMESA-N	1	1	410.902	1.251	20	0		HDADMO
CC(C)(C)S(=O)(=O)CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000733333165	1076045349	/nfs/dbraw/zinc/04/53/49/1076045349.db2.gz	VHNNUUXPJZKWHJ-INIZCTEOSA-N	1	1	410.540	1.471	20	0		HDADMO
CC(C)(C)S(=O)(=O)CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000733333165	1076045355	/nfs/dbraw/zinc/04/53/55/1076045355.db2.gz	VHNNUUXPJZKWHJ-INIZCTEOSA-N	1	1	410.540	1.471	20	0		HDADMO
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000727117106	1076048161	/nfs/dbraw/zinc/04/81/61/1076048161.db2.gz	LSFZTEKPMDNZMZ-HOTGVXAUSA-N	1	1	401.573	1.956	20	0		HDADMO
CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1	ZINC000727135151	1076051076	/nfs/dbraw/zinc/05/10/76/1076051076.db2.gz	RJZSOABRYHTKRE-QGZVFWFLSA-N	1	1	410.559	1.692	20	0		HDADMO
CCC[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)C[C@@H]1COc2ccccc2O1	ZINC000053094493	1076053992	/nfs/dbraw/zinc/05/39/92/1076053992.db2.gz	JNVSFTDBLZFPSR-GOSISDBHSA-N	1	1	405.539	1.765	20	0		HDADMO
CCC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)C[C@@H]1COc2ccccc2O1	ZINC000053094493	1076054002	/nfs/dbraw/zinc/05/40/02/1076054002.db2.gz	JNVSFTDBLZFPSR-GOSISDBHSA-N	1	1	405.539	1.765	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1	ZINC000727174836	1076069749	/nfs/dbraw/zinc/06/97/49/1076069749.db2.gz	GBGXXYBTRQIZPW-YKMODHABSA-N	1	1	400.523	1.636	20	0		HDADMO
CC(C)NC(=O)CNC(=S)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000727279743	1076089706	/nfs/dbraw/zinc/08/97/06/1076089706.db2.gz	SZFMJADVKSMYAF-UHFFFAOYSA-N	1	1	412.003	1.841	20	0		HDADMO
CC(=O)Nc1ccc2c(C[N@@H+]3CCCC[C@H]3C(=O)N3CCOCC3)cc(=O)oc2c1	ZINC000727440587	1076122187	/nfs/dbraw/zinc/12/21/87/1076122187.db2.gz	TXQMVXRNCGBSDI-IBGZPJMESA-N	1	1	413.474	1.965	20	0		HDADMO
CC(=O)Nc1ccc2c(C[N@H+]3CCCC[C@H]3C(=O)N3CCOCC3)cc(=O)oc2c1	ZINC000727440587	1076122192	/nfs/dbraw/zinc/12/21/92/1076122192.db2.gz	TXQMVXRNCGBSDI-IBGZPJMESA-N	1	1	413.474	1.965	20	0		HDADMO
O=C(NCc1nc(C2CC2)no1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000733648425	1076140119	/nfs/dbraw/zinc/14/01/19/1076140119.db2.gz	JZFKRPXOESVEHX-UHFFFAOYSA-N	1	1	400.483	1.776	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(F)(F)F)c1	ZINC000733775862	1076202609	/nfs/dbraw/zinc/20/26/09/1076202609.db2.gz	USUYMXARQJRVEZ-UHFFFAOYSA-N	1	1	422.473	1.970	20	0		HDADMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	ZINC000733781491	1076204249	/nfs/dbraw/zinc/20/42/49/1076204249.db2.gz	ZLTOMCSTOAYUJC-IRXDYDNUSA-N	1	1	406.552	1.597	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@H]3C3CCC3)C2=O)c1	ZINC000733794491	1076204764	/nfs/dbraw/zinc/20/47/64/1076204764.db2.gz	KURNLALLVAYNRF-LAUBAEHRSA-N	1	1	400.479	1.758	20	0		HDADMO
CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[NH+]1CCOCC1	ZINC000727766125	1076219433	/nfs/dbraw/zinc/21/94/33/1076219433.db2.gz	PAWQUZWFZROZAV-AABGKKOBSA-N	1	1	419.522	1.231	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1	ZINC000727753662	1076227071	/nfs/dbraw/zinc/22/70/71/1076227071.db2.gz	NMWAMCDJANVUJR-UXHICEINSA-N	1	1	416.522	1.657	20	0		HDADMO
CCn1cc(CN(C)C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cn1	ZINC000733853529	1076228384	/nfs/dbraw/zinc/22/83/84/1076228384.db2.gz	RMEBFLRILOAUMZ-UHFFFAOYSA-N	1	1	418.929	1.905	20	0		HDADMO
COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000032768535	1076243927	/nfs/dbraw/zinc/24/39/27/1076243927.db2.gz	IILDINSSIJRQPO-QGZVFWFLSA-N	1	1	407.511	1.125	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H](C)Cn3cc[nH+]c3C)C2)no1	ZINC000533613425	1076244378	/nfs/dbraw/zinc/24/43/78/1076244378.db2.gz	XBIZBBKWMVKPHV-PBHICJAKSA-N	1	1	417.514	1.606	20	0		HDADMO
COCC(COC)N1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1	ZINC001299317522	1076246786	/nfs/dbraw/zinc/24/67/86/1076246786.db2.gz	AVMZSVKCRWOIGI-HXUWFJFHSA-N	1	1	407.580	1.582	20	0		HDADMO
CCN(C1CC1)S(=O)(=O)c1c(C)nn(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000534383955	1076247390	/nfs/dbraw/zinc/24/73/90/1076247390.db2.gz	DFMQGOZKBVFTCE-IYOUNJFTSA-N	1	1	414.572	1.143	20	0		HDADMO
CCN(C1CC1)S(=O)(=O)c1c(C)nn(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000534383955	1076247395	/nfs/dbraw/zinc/24/73/95/1076247395.db2.gz	DFMQGOZKBVFTCE-IYOUNJFTSA-N	1	1	414.572	1.143	20	0		HDADMO
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000534560469	1076248943	/nfs/dbraw/zinc/24/89/43/1076248943.db2.gz	ZASFPOOKTZQZBP-WIYYLYMNSA-N	1	1	413.566	1.901	20	0		HDADMO
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000534560469	1076248947	/nfs/dbraw/zinc/24/89/47/1076248947.db2.gz	ZASFPOOKTZQZBP-WIYYLYMNSA-N	1	1	413.566	1.901	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1	ZINC000535269079	1076250792	/nfs/dbraw/zinc/25/07/92/1076250792.db2.gz	KCJMNELCBQVJMH-RTWAWAEBSA-N	1	1	407.518	1.727	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1	ZINC000535269079	1076250796	/nfs/dbraw/zinc/25/07/96/1076250796.db2.gz	KCJMNELCBQVJMH-RTWAWAEBSA-N	1	1	407.518	1.727	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)s1	ZINC000535294362	1076252180	/nfs/dbraw/zinc/25/21/80/1076252180.db2.gz	LSIQGZONCDYHLS-INIZCTEOSA-N	1	1	408.549	1.821	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)s1	ZINC000535294362	1076252185	/nfs/dbraw/zinc/25/21/85/1076252185.db2.gz	LSIQGZONCDYHLS-INIZCTEOSA-N	1	1	408.549	1.821	20	0		HDADMO
Cc1nc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)nn1-c1nc(C(F)(F)F)n[nH]1	ZINC000536031681	1076254217	/nfs/dbraw/zinc/25/42/17/1076254217.db2.gz	FMDSEGVFDNHSFX-LBPRGKRZSA-N	1	1	406.372	1.629	20	0		HDADMO
Cc1nc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)nn1-c1nc(C(F)(F)F)n[nH]1	ZINC000536031681	1076254221	/nfs/dbraw/zinc/25/42/21/1076254221.db2.gz	FMDSEGVFDNHSFX-LBPRGKRZSA-N	1	1	406.372	1.629	20	0		HDADMO
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000536048289	1076255191	/nfs/dbraw/zinc/25/51/91/1076255191.db2.gz	RQTHOXNUTXVNSL-YLJYHZDGSA-N	1	1	417.554	1.042	20	0		HDADMO
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000536048289	1076255194	/nfs/dbraw/zinc/25/51/94/1076255194.db2.gz	RQTHOXNUTXVNSL-YLJYHZDGSA-N	1	1	417.554	1.042	20	0		HDADMO
CCS(=O)(=O)c1ccc(F)c(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1	ZINC000733895720	1076255874	/nfs/dbraw/zinc/25/58/74/1076255874.db2.gz	UZLYUWSVSHKHDE-UHFFFAOYSA-N	1	1	416.515	1.965	20	0		HDADMO
CC(C)COC(=O)N1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000733895036	1076256080	/nfs/dbraw/zinc/25/60/80/1076256080.db2.gz	JWIOTVBCLFUUOS-QFIPXVFZSA-N	1	1	403.523	1.950	20	0		HDADMO
CCCn1c(C[NH2+]C2(C(=O)NC)CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000733896090	1076257918	/nfs/dbraw/zinc/25/79/18/1076257918.db2.gz	BLYQGVOXKFIQCT-UHFFFAOYSA-N	1	1	421.567	1.845	20	0		HDADMO
CS(=O)(=O)NCCNC(=S)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000733903516	1076260687	/nfs/dbraw/zinc/26/06/87/1076260687.db2.gz	FSZXZIOEMJTFRU-AWEZNQCLSA-N	1	1	424.514	1.293	20	0		HDADMO
CC(C)[N@H+]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1	ZINC000727831683	1076263651	/nfs/dbraw/zinc/26/36/51/1076263651.db2.gz	DIVQPJNQGJGGLK-UHFFFAOYSA-N	1	1	421.567	1.512	20	0		HDADMO
CC(C)[C@H](CNC(=O)c1cnn(C)c1I)N1CC[NH+](C)CC1	ZINC000379102055	1076265228	/nfs/dbraw/zinc/26/52/28/1076265228.db2.gz	FVRWFRPQGZUIFM-ZDUSSCGKSA-N	1	1	419.311	1.027	20	0		HDADMO
COc1ncc(C(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cn1	ZINC000733955250	1076274198	/nfs/dbraw/zinc/27/41/98/1076274198.db2.gz	NDFTZSNIBOJNPI-UHFFFAOYSA-N	1	1	400.479	1.905	20	0		HDADMO
COCCN(CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(=O)OC(C)(C)C	ZINC000733956003	1076275030	/nfs/dbraw/zinc/27/50/30/1076275030.db2.gz	SVNXQHPVTBTILK-GOSISDBHSA-N	1	1	412.575	1.498	20	0		HDADMO
CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1	ZINC000727861420	1076275127	/nfs/dbraw/zinc/27/51/27/1076275127.db2.gz	CBLFAMNSTTZANN-LJQANCHMSA-N	1	1	400.523	1.052	20	0		HDADMO
O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000733989849	1076285028	/nfs/dbraw/zinc/28/50/28/1076285028.db2.gz	FIRXQTFTTYZNJZ-HNNXBMFYSA-N	1	1	410.396	1.336	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)CCN3CCCC3=O)CC2)cc1	ZINC000727913837	1076286975	/nfs/dbraw/zinc/28/69/75/1076286975.db2.gz	RQEUNONKQTYKTC-UHFFFAOYSA-N	1	1	417.506	1.285	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1	ZINC000733970022	1076287599	/nfs/dbraw/zinc/28/75/99/1076287599.db2.gz	GHDHVKBOYGNKOK-UHFFFAOYSA-N	1	1	411.503	1.584	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCN(C(=O)OC)CC2)c1	ZINC000727943975	1076292447	/nfs/dbraw/zinc/29/24/47/1076292447.db2.gz	KOIBGQMXZDOOQP-UHFFFAOYSA-N	1	1	408.499	1.237	20	0		HDADMO
Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000727950907	1076295357	/nfs/dbraw/zinc/29/53/57/1076295357.db2.gz	MJBWCWVLXALANS-ZDUSSCGKSA-N	1	1	418.929	1.950	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1	ZINC001545677057	1076299751	/nfs/dbraw/zinc/29/97/51/1076299751.db2.gz	PKVWAUSVWWSZSL-KRWDZBQOSA-N	1	1	414.554	1.738	20	0		HDADMO
COCCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)CC1	ZINC000728041056	1076317474	/nfs/dbraw/zinc/31/74/74/1076317474.db2.gz	BEFPFWIDPREEAY-NRFANRHFSA-N	1	1	402.495	1.194	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)C1	ZINC000728041937	1076318061	/nfs/dbraw/zinc/31/80/61/1076318061.db2.gz	FNQXUJUMPNBCJB-GSHUGGBRSA-N	1	1	416.522	1.583	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)C1	ZINC000728041937	1076318064	/nfs/dbraw/zinc/31/80/64/1076318064.db2.gz	FNQXUJUMPNBCJB-GSHUGGBRSA-N	1	1	416.522	1.583	20	0		HDADMO
Cc1cc(N2CCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)nc(C(C)C)n1	ZINC000728053828	1076320448	/nfs/dbraw/zinc/32/04/48/1076320448.db2.gz	SXSCQHRBVINDRL-SFHVURJKSA-N	1	1	417.554	1.642	20	0		HDADMO
COc1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)cc1	ZINC000728053062	1076321266	/nfs/dbraw/zinc/32/12/66/1076321266.db2.gz	GOVLBNUPRJTVBB-IBGZPJMESA-N	1	1	403.523	1.424	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000728054674	1076321490	/nfs/dbraw/zinc/32/14/90/1076321490.db2.gz	ZAWLJZPWBJORKD-HXUWFJFHSA-N	1	1	415.534	1.351	20	0		HDADMO
CC(=O)[C@@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)=NN1c1ccccc1	ZINC000728073100	1076333839	/nfs/dbraw/zinc/33/38/39/1076333839.db2.gz	PUTIORJDNRJGLM-PMACEKPBSA-N	1	1	413.522	1.269	20	0		HDADMO
CCCc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1	ZINC000728077932	1076334094	/nfs/dbraw/zinc/33/40/94/1076334094.db2.gz	REZSNTXNVXXXSQ-OALUTQOASA-N	1	1	414.550	1.696	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000728135388	1076340079	/nfs/dbraw/zinc/34/00/79/1076340079.db2.gz	IYRRKDRROCQSEI-CVEARBPZSA-N	1	1	406.502	1.837	20	0		HDADMO
COc1cc(C)c(C[N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1OC	ZINC000024805103	1076346360	/nfs/dbraw/zinc/34/63/60/1076346360.db2.gz	CIFQYIVRXYBMPG-UHFFFAOYSA-N	1	1	415.494	1.281	20	0		HDADMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)CC1	ZINC000728159649	1076350136	/nfs/dbraw/zinc/35/01/36/1076350136.db2.gz	PAGZMLBUWKWZJL-GAJHUEQPSA-N	1	1	421.501	1.754	20	0		HDADMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000025252528	1076350621	/nfs/dbraw/zinc/35/06/21/1076350621.db2.gz	HZUSAMKQWZGOGM-FUHWJXTLSA-N	1	1	417.531	1.753	20	0		HDADMO
CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1	ZINC000498003958	1076353319	/nfs/dbraw/zinc/35/33/19/1076353319.db2.gz	YUDXYUUKQKKWOA-LSDHHAIUSA-N	1	1	401.385	1.527	20	0		HDADMO
CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1	ZINC000498003958	1076353324	/nfs/dbraw/zinc/35/33/24/1076353324.db2.gz	YUDXYUUKQKKWOA-LSDHHAIUSA-N	1	1	401.385	1.527	20	0		HDADMO
C[C@@H](NC(=O)N(CCO)CCN1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000498692323	1076355606	/nfs/dbraw/zinc/35/56/06/1076355606.db2.gz	XQIOCNBHYCYBTP-CTNGQTDRSA-N	1	1	404.555	1.233	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000027571475	1076360462	/nfs/dbraw/zinc/36/04/62/1076360462.db2.gz	PJPHTIWHRPPVCL-GOSISDBHSA-N	1	1	424.501	1.915	20	0		HDADMO
C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C3OCCO3)CC2)C1	ZINC000728173447	1076364966	/nfs/dbraw/zinc/36/49/66/1076364966.db2.gz	YXKXNBOJMNTSRS-HKUYNNGSSA-N	1	1	407.555	1.711	20	0		HDADMO
C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCCC[C@H]3C3OCCO3)CC2)C1	ZINC000728173447	1076364972	/nfs/dbraw/zinc/36/49/72/1076364972.db2.gz	YXKXNBOJMNTSRS-HKUYNNGSSA-N	1	1	407.555	1.711	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)OCC(C)C)CC2)CC1=O	ZINC000729920417	1076396052	/nfs/dbraw/zinc/39/60/52/1076396052.db2.gz	LKOMRUJUEHIDEA-ZWKOTPCHSA-N	1	1	408.543	1.256	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)CN2Cc3ccccc3C2=O)CC1	ZINC000729966984	1076399669	/nfs/dbraw/zinc/39/96/69/1076399669.db2.gz	BXANSYLFUIBGHD-UHFFFAOYSA-N	1	1	416.522	1.701	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)C1	ZINC000729980349	1076405014	/nfs/dbraw/zinc/40/50/14/1076405014.db2.gz	NVPPAQUZWVQGQX-ZDUSSCGKSA-N	1	1	417.478	1.246	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1	ZINC000730035743	1076413699	/nfs/dbraw/zinc/41/36/99/1076413699.db2.gz	DGCUJFBHBPCZMB-CQSZACIVSA-N	1	1	424.548	1.139	20	0		HDADMO
C[C@@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000730053406	1076427942	/nfs/dbraw/zinc/42/79/42/1076427942.db2.gz	GRGFCAJHSIOYEW-YLJYHZDGSA-N	1	1	421.497	1.965	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)Cc2coc(-c3cccs3)n2)C1	ZINC000730057788	1076429261	/nfs/dbraw/zinc/42/92/61/1076429261.db2.gz	JURFCNLJDGTQHM-MRXNPFEDSA-N	1	1	421.519	1.962	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000730083008	1076432318	/nfs/dbraw/zinc/43/23/18/1076432318.db2.gz	KNZYRCWQCITMSB-UHFFFAOYSA-N	1	1	403.932	1.119	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1	ZINC000730084761	1076432389	/nfs/dbraw/zinc/43/23/89/1076432389.db2.gz	JWYNTTIXHFNGDC-UHFFFAOYSA-N	1	1	415.531	1.383	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1	ZINC000730085787	1076433054	/nfs/dbraw/zinc/43/30/54/1076433054.db2.gz	GNZRIWOLDWVYOH-GOSISDBHSA-N	1	1	402.495	1.100	20	0		HDADMO
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1=O	ZINC000730088400	1076442756	/nfs/dbraw/zinc/44/27/56/1076442756.db2.gz	DIINUYYLQQOCGK-FQEVSTJZSA-N	1	1	408.393	1.812	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000730106027	1076458577	/nfs/dbraw/zinc/45/85/77/1076458577.db2.gz	QLLXLFYVZKHYRG-JKIFEVAISA-N	1	1	415.538	1.521	20	0		HDADMO
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000730219210	1076480831	/nfs/dbraw/zinc/48/08/31/1076480831.db2.gz	WKPHYIYBTPSJHC-LSDHHAIUSA-N	1	1	412.556	1.237	20	0		HDADMO
COC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O	ZINC000730251473	1076498177	/nfs/dbraw/zinc/49/81/77/1076498177.db2.gz	HVCUSJXXULOIHJ-IIBYNOLFSA-N	1	1	403.479	1.923	20	0		HDADMO
COC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O	ZINC000730251473	1076498187	/nfs/dbraw/zinc/49/81/87/1076498187.db2.gz	HVCUSJXXULOIHJ-IIBYNOLFSA-N	1	1	403.479	1.923	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730261861	1076502566	/nfs/dbraw/zinc/50/25/66/1076502566.db2.gz	HAPBZUFSWAGOGJ-HOTGVXAUSA-N	1	1	404.515	1.113	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730261861	1076502568	/nfs/dbraw/zinc/50/25/68/1076502568.db2.gz	HAPBZUFSWAGOGJ-HOTGVXAUSA-N	1	1	404.515	1.113	20	0		HDADMO
C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000730261348	1076503360	/nfs/dbraw/zinc/50/33/60/1076503360.db2.gz	IBCBEILLLJLMLL-MTRKFGIMSA-N	1	1	421.563	1.367	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1	ZINC000730262739	1076503728	/nfs/dbraw/zinc/50/37/28/1076503728.db2.gz	IDGCEBFBNAQUNQ-HNNXBMFYSA-N	1	1	413.540	1.915	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1	ZINC000730263177	1076505073	/nfs/dbraw/zinc/50/50/73/1076505073.db2.gz	QJMQKVUJOWLIBJ-KRWDZBQOSA-N	1	1	404.511	1.490	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1	ZINC000730263177	1076505075	/nfs/dbraw/zinc/50/50/75/1076505075.db2.gz	QJMQKVUJOWLIBJ-KRWDZBQOSA-N	1	1	404.511	1.490	20	0		HDADMO
C[NH+](C)CCN1C(=O)C[C@H](N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O	ZINC000730272497	1076516881	/nfs/dbraw/zinc/51/68/81/1076516881.db2.gz	RGVAXHLHGKEOHE-MSOLQXFVSA-N	1	1	422.570	1.787	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1	ZINC000730379100	1076552269	/nfs/dbraw/zinc/55/22/69/1076552269.db2.gz	YWTZLZVTRGLGOL-HNNXBMFYSA-N	1	1	404.515	1.141	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1	ZINC000730379100	1076552276	/nfs/dbraw/zinc/55/22/76/1076552276.db2.gz	YWTZLZVTRGLGOL-HNNXBMFYSA-N	1	1	404.515	1.141	20	0		HDADMO
C[C@H](SCCS(C)(=O)=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000730466318	1076580339	/nfs/dbraw/zinc/58/03/39/1076580339.db2.gz	JSFXTJKJMNYXTP-HNNXBMFYSA-N	1	1	400.566	1.301	20	0		HDADMO
CSc1ccc(NC(=O)Cn2cc(NC(=O)CC[NH+]3CCOCC3)cn2)cc1	ZINC000730558058	1076594116	/nfs/dbraw/zinc/59/41/16/1076594116.db2.gz	DSIZRKRZOJVUNE-UHFFFAOYSA-N	1	1	403.508	1.905	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1	ZINC000730560165	1076594624	/nfs/dbraw/zinc/59/46/24/1076594624.db2.gz	SYUOBHVBGPYFBC-HNNXBMFYSA-N	1	1	420.608	1.924	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000730562970	1076603468	/nfs/dbraw/zinc/60/34/68/1076603468.db2.gz	OLCUEOANHHTENX-JKSUJKDBSA-N	1	1	420.476	1.778	20	0		HDADMO
CCCCN(C)c1ccc(NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1	ZINC000730681727	1076633328	/nfs/dbraw/zinc/63/33/28/1076633328.db2.gz	SDJJINJRIQZRNC-UHFFFAOYSA-N	1	1	403.527	1.188	20	0		HDADMO
CCCCN(C)c1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1	ZINC000730681340	1076637336	/nfs/dbraw/zinc/63/73/36/1076637336.db2.gz	XFHRFRZAOJDXBR-UHFFFAOYSA-N	1	1	403.527	1.142	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1N(C)C	ZINC000730683751	1076640068	/nfs/dbraw/zinc/64/00/68/1076640068.db2.gz	LBCVMIBYXQEYIP-IBGZPJMESA-N	1	1	401.555	1.628	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1	ZINC000730785432	1076656909	/nfs/dbraw/zinc/65/69/09/1076656909.db2.gz	APMACVSXHBHHFC-CQSZACIVSA-N	1	1	415.943	1.575	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)C1	ZINC000730789593	1076658897	/nfs/dbraw/zinc/65/88/97/1076658897.db2.gz	PWOHHIQFBHRNHR-ILXRZTDVSA-N	1	1	405.495	1.749	20	0		HDADMO
C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C[C@@H]1CCCOC1	ZINC000730808652	1076665330	/nfs/dbraw/zinc/66/53/30/1076665330.db2.gz	QUVIXRQBLKVYSR-HNNXBMFYSA-N	1	1	408.524	1.454	20	0		HDADMO
COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000730813176	1076667734	/nfs/dbraw/zinc/66/77/34/1076667734.db2.gz	ZLQNHJJVDVODMB-NEPJUHHUSA-N	1	1	423.304	1.738	20	0		HDADMO
COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000730813176	1076667737	/nfs/dbraw/zinc/66/77/37/1076667737.db2.gz	ZLQNHJJVDVODMB-NEPJUHHUSA-N	1	1	423.304	1.738	20	0		HDADMO
CN1CCN(c2ccccc2NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1	ZINC000730916544	1076690246	/nfs/dbraw/zinc/69/02/46/1076690246.db2.gz	BHNAYFCYMWAONT-IBGZPJMESA-N	1	1	413.566	1.854	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1	ZINC000730936352	1076696969	/nfs/dbraw/zinc/69/69/69/1076696969.db2.gz	KSYVRIJIWUTULK-AWEZNQCLSA-N	1	1	414.959	1.594	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1	ZINC000730938016	1076698174	/nfs/dbraw/zinc/69/81/74/1076698174.db2.gz	ODNKAJSMTZTKGM-UHFFFAOYSA-N	1	1	405.495	1.864	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=S)NCCc3ccccn3)c2)C1	ZINC000730949644	1076700076	/nfs/dbraw/zinc/70/00/76/1076700076.db2.gz	CZKLCFWWTFHCKU-LJQANCHMSA-N	1	1	411.575	1.986	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cccnc3-n3cccn3)c2)C1	ZINC000730971519	1076702158	/nfs/dbraw/zinc/70/21/58/1076702158.db2.gz	YVLCYLIDZPFSCL-IBGZPJMESA-N	1	1	418.501	1.895	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2sccc2S(=O)(=O)C(F)F)C1	ZINC000731006277	1076704324	/nfs/dbraw/zinc/70/43/24/1076704324.db2.gz	WWFGWRGVQNHOCN-JTQLQIEISA-N	1	1	409.480	1.062	20	0		HDADMO
O=C(C[NH+]1CCC(C(=O)NCCO)CC1)N[C@@H](c1nccs1)c1ccccc1	ZINC000731031121	1076714467	/nfs/dbraw/zinc/71/44/67/1076714467.db2.gz	QYQVSSSZCVYVAB-GOSISDBHSA-N	1	1	402.520	1.169	20	0		HDADMO
COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1	ZINC000731039058	1076716879	/nfs/dbraw/zinc/71/68/79/1076716879.db2.gz	PPADCFMAQMWDDO-ZPIQOJFGSA-N	1	1	412.508	1.510	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cccc(N3CCOC3=O)c2)CC1	ZINC000731120334	1076725866	/nfs/dbraw/zinc/72/58/66/1076725866.db2.gz	VNAHWLLOHCSDLL-HXUWFJFHSA-N	1	1	415.538	1.955	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[C@@H](C1)[C@@H](C(=O)OCC)[NH2+]2	ZINC001164450529	719003784	/nfs/dbraw/zinc/00/37/84/719003784.db2.gz	XVSODPXTZGOYPE-UMNHJUIQSA-N	1	1	418.828	1.581	20	0		HDADMO
Clc1ccc(C[NH+]2CCCC2)c(N2CCn3c(CN4CCOCC4)nnc3C2)n1	ZINC001164678881	719580261	/nfs/dbraw/zinc/58/02/61/719580261.db2.gz	YALDRJMMZHEKDQ-UHFFFAOYSA-N	1	1	417.945	1.775	20	0		HDADMO
COc1cc2c[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)cc2cc1OC	ZINC001164679582	719586566	/nfs/dbraw/zinc/58/65/66/719586566.db2.gz	AFIIJQOBZUMPLM-UHFFFAOYSA-N	1	1	410.478	1.696	20	0		HDADMO
CCOC(=O)c1cnc(SC)nc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1	ZINC001164684488	719697894	/nfs/dbraw/zinc/69/78/94/719697894.db2.gz	ISZSMFYVTXBSCJ-UHFFFAOYSA-N	1	1	407.540	1.556	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2	ZINC001164689345	719753458	/nfs/dbraw/zinc/75/34/58/719753458.db2.gz	BSXJMALMIWKNAR-UHFFFAOYSA-N	1	1	416.904	1.922	20	0		HDADMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cccc(OC)c21	ZINC001164707163	719869682	/nfs/dbraw/zinc/86/96/82/719869682.db2.gz	QVZAQTHJJFAYIL-VFNWGFHPSA-N	1	1	400.479	1.871	20	0		HDADMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cccc(OC)c21	ZINC001164707165	719869866	/nfs/dbraw/zinc/86/98/66/719869866.db2.gz	QVZAQTHJJFAYIL-YCRPNKLZSA-N	1	1	400.479	1.871	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@H]3C2)nc1)C1CC1	ZINC001164703618	719922608	/nfs/dbraw/zinc/92/26/08/719922608.db2.gz	LCJHFDXKKPOFQP-HOJAQTOUSA-N	1	1	400.523	1.929	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)C2	ZINC001164808570	720120118	/nfs/dbraw/zinc/12/01/18/720120118.db2.gz	FOFAWUBTMJDPQI-HTZUNMPGSA-N	1	1	400.527	1.438	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)NC3CC3)cn1)CCC2	ZINC001164814051	720225290	/nfs/dbraw/zinc/22/52/90/720225290.db2.gz	RUCPMCSRBQCPJA-UHFFFAOYSA-N	1	1	410.522	1.781	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(NC(N)=S)cn1)CCC2	ZINC001164815210	720241404	/nfs/dbraw/zinc/24/14/04/720241404.db2.gz	BUMULPREBPIEJD-UHFFFAOYSA-N	1	1	401.540	1.544	20	0		HDADMO
COCc1nc(OC)cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164815586	720245942	/nfs/dbraw/zinc/24/59/42/720245942.db2.gz	CHEYKXPATFEYDV-UHFFFAOYSA-N	1	1	402.499	1.439	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4cccnc43)C2)C1	ZINC001164719933	720250290	/nfs/dbraw/zinc/25/02/90/720250290.db2.gz	PXQLVZBTKUPCNQ-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4cccnc43)C2)C1	ZINC001164719933	720250292	/nfs/dbraw/zinc/25/02/92/720250292.db2.gz	PXQLVZBTKUPCNQ-LJQANCHMSA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3/C=C\C(=O)OC)C2)C1	ZINC001164721815	720273397	/nfs/dbraw/zinc/27/33/97/720273397.db2.gz	LXKZVPGKZQKUTH-QJKPHDSHSA-N	1	1	416.522	1.241	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3/C=C\C(=O)OC)C2)C1	ZINC001164721815	720273408	/nfs/dbraw/zinc/27/34/08/720273408.db2.gz	LXKZVPGKZQKUTH-QJKPHDSHSA-N	1	1	416.522	1.241	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccc(F)cc4)ncn3)C2)C1	ZINC001164721602	720291274	/nfs/dbraw/zinc/29/12/74/720291274.db2.gz	LUUJCHSDKZJKEP-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccc(F)cc4)ncn3)C2)C1	ZINC001164721602	720291280	/nfs/dbraw/zinc/29/12/80/720291280.db2.gz	LUUJCHSDKZJKEP-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4cccs4)ncn3)C2)C1	ZINC001164721591	720291476	/nfs/dbraw/zinc/29/14/76/720291476.db2.gz	LMKCBRMEMGFPCD-HXUWFJFHSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4cccs4)ncn3)C2)C1	ZINC001164721591	720291492	/nfs/dbraw/zinc/29/14/92/720291492.db2.gz	LMKCBRMEMGFPCD-HXUWFJFHSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4cccs4)ncn3)C2)C1	ZINC001164721590	720292609	/nfs/dbraw/zinc/29/26/09/720292609.db2.gz	LMKCBRMEMGFPCD-FQEVSTJZSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4cccs4)ncn3)C2)C1	ZINC001164721590	720292614	/nfs/dbraw/zinc/29/26/14/720292614.db2.gz	LMKCBRMEMGFPCD-FQEVSTJZSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1	ZINC001164721531	720292644	/nfs/dbraw/zinc/29/26/44/720292644.db2.gz	KOJHJQHXZATAQS-HXUWFJFHSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1	ZINC001164721531	720292650	/nfs/dbraw/zinc/29/26/50/720292650.db2.gz	KOJHJQHXZATAQS-HXUWFJFHSA-N	1	1	400.483	1.105	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)nc(C)c3C)C2)C1	ZINC001164720975	720296859	/nfs/dbraw/zinc/29/68/59/720296859.db2.gz	GNCVZPHBVGSHNA-QHCPKHFHSA-N	1	1	424.549	1.820	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)nc(C)c3C)C2)C1	ZINC001164720975	720296870	/nfs/dbraw/zinc/29/68/70/720296870.db2.gz	GNCVZPHBVGSHNA-QHCPKHFHSA-N	1	1	424.549	1.820	20	0		HDADMO
CCc1nc2sccc2c(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1	ZINC001164722325	720301877	/nfs/dbraw/zinc/30/18/77/720301877.db2.gz	PWFXTKHXEPDOLD-HXUWFJFHSA-N	1	1	403.552	1.919	20	0		HDADMO
CCc1nc2sccc2c(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1	ZINC001164722325	720301884	/nfs/dbraw/zinc/30/18/84/720301884.db2.gz	PWFXTKHXEPDOLD-HXUWFJFHSA-N	1	1	403.552	1.919	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc(Cl)c3C(N)=O)CC[C@@H]21	ZINC001164842917	720559756	/nfs/dbraw/zinc/55/97/56/720559756.db2.gz	YVICDLDYWAESRX-KKUMJFAQSA-N	1	1	403.918	1.803	20	0		HDADMO
Cc1cc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)C(=O)NC2=O	ZINC001164842765	720596507	/nfs/dbraw/zinc/59/65/07/720596507.db2.gz	VMJRHTJPUYQWGT-JFIYKMOQSA-N	1	1	408.506	1.848	20	0		HDADMO
COC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164745728	720634402	/nfs/dbraw/zinc/63/44/02/720634402.db2.gz	WEJGLENKKSYFLZ-CVEARBPZSA-N	1	1	406.446	1.548	20	0		HDADMO
CCOC(=O)c1cc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2[nH]1	ZINC001164737579	720675626	/nfs/dbraw/zinc/67/56/26/720675626.db2.gz	GJSIPIMGDBNSNK-HOTGVXAUSA-N	1	1	408.462	1.872	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1OCC	ZINC001164739583	720692384	/nfs/dbraw/zinc/69/23/84/720692384.db2.gz	NUUDFURNWZWQRQ-JKSUJKDBSA-N	1	1	413.478	1.789	20	0		HDADMO
CN(C)c1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164740499	720721082	/nfs/dbraw/zinc/72/10/82/720721082.db2.gz	QQHVXWFRCPPFDS-QZTJIDSGSA-N	1	1	418.505	1.737	20	0		HDADMO
COC(=O)CSc1cccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164742821	720744212	/nfs/dbraw/zinc/74/42/12/720744212.db2.gz	OMILWAMESSATTC-LSDHHAIUSA-N	1	1	401.492	1.479	20	0		HDADMO
COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743457	720746765	/nfs/dbraw/zinc/74/67/65/720746765.db2.gz	QFGNYIQZTLZKRY-VXGBXAGGSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743457	720746773	/nfs/dbraw/zinc/74/67/73/720746773.db2.gz	QFGNYIQZTLZKRY-VXGBXAGGSA-N	1	1	412.828	1.815	20	0		HDADMO
Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1C	ZINC001164738660	720752851	/nfs/dbraw/zinc/75/28/51/720752851.db2.gz	GNNOZUQNSLZFLM-OLZOCXBDSA-N	1	1	400.874	1.457	20	0		HDADMO
O=C(NC1CCCC1)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1	ZINC001164737448	720783628	/nfs/dbraw/zinc/78/36/28/720783628.db2.gz	BKCVMYRBNJFAGR-IRXDYDNUSA-N	1	1	409.494	1.281	20	0		HDADMO
Clc1nc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164748281	720794652	/nfs/dbraw/zinc/79/46/52/720794652.db2.gz	QILRXBCKISJRQI-GHMZBOCLSA-N	1	1	419.276	1.859	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@@H]43)c2)CC1	ZINC001164848207	720804449	/nfs/dbraw/zinc/80/44/49/720804449.db2.gz	PECDNVRTSRPBIZ-UFYCRDLUSA-N	1	1	400.523	1.675	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1Cl	ZINC001164750397	720813749	/nfs/dbraw/zinc/81/37/49/720813749.db2.gz	VMJXEOMXVYHYCP-IIDMSEBBSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl	ZINC001164749240	720814390	/nfs/dbraw/zinc/81/43/90/720814390.db2.gz	SNFLGWKUFDNUFH-HLLBOEOZSA-N	1	1	415.929	1.805	20	0		HDADMO
O=C1COc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2N1	ZINC001164738025	720827987	/nfs/dbraw/zinc/82/79/87/720827987.db2.gz	DOXFIRCJZQBSIU-SOLBZPMBSA-N	1	1	409.494	1.383	20	0		HDADMO
CCOC(=O)c1cc2ccnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c2[nH]1	ZINC001164849625	720849471	/nfs/dbraw/zinc/84/94/71/720849471.db2.gz	CBDMKMFNUOQPAR-FUHWJXTLSA-N	1	1	402.495	1.913	20	0		HDADMO
c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(-n5cncn5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1	ZINC001164742537	720850955	/nfs/dbraw/zinc/85/09/55/720850955.db2.gz	HHHPVABZLNSRMJ-SQNIBIBYSA-N	1	1	406.498	1.028	20	0		HDADMO
NC(=S)Nc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164754023	720854094	/nfs/dbraw/zinc/85/40/94/720854094.db2.gz	ZQSXHOXKAZQQOH-KBAYOESNSA-N	1	1	412.567	1.708	20	0		HDADMO
NC(=S)Nc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164754013	720854171	/nfs/dbraw/zinc/85/41/71/720854171.db2.gz	ZQSXHOXKAZQQOH-BPQIPLTHSA-N	1	1	412.567	1.708	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)cc(OC)c43)CC[C@@H]2C1	ZINC001164851570	720859778	/nfs/dbraw/zinc/85/97/78/720859778.db2.gz	BBBZIIXMOAJUKD-BEFAXECRSA-N	1	1	402.495	1.821	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1	ZINC001164851968	720867495	/nfs/dbraw/zinc/86/74/95/720867495.db2.gz	BKLONEZWZZRXJA-LPHOPBHVSA-N	1	1	420.554	1.732	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c(OC)cc(OC)cc43)CC[C@H]2C1	ZINC001164864434	720890039	/nfs/dbraw/zinc/89/00/39/720890039.db2.gz	VSKYOAIMXLTFBG-KXBFYZLASA-N	1	1	402.495	1.821	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(OC)nc(Cl)n3)CC[C@H]2C1	ZINC001164860573	720890687	/nfs/dbraw/zinc/89/06/87/720890687.db2.gz	OXBGTUUQEAVXOO-STQMWFEESA-N	1	1	406.861	1.857	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C	ZINC001164859861	720977441	/nfs/dbraw/zinc/97/74/41/720977441.db2.gz	MSQQPPVNQYOCDK-OAHLLOKOSA-N	1	1	406.556	1.998	20	0		HDADMO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCNCC1)[C@@H]2C	ZINC001164859677	720979930	/nfs/dbraw/zinc/97/99/30/720979930.db2.gz	LCZVIIAFWMERNF-QGZVFWFLSA-N	1	1	411.554	1.745	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCNCC1)[C@@H]2C	ZINC001164859677	720979933	/nfs/dbraw/zinc/97/99/33/720979933.db2.gz	LCZVIIAFWMERNF-QGZVFWFLSA-N	1	1	411.554	1.745	20	0		HDADMO
Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)cn1	ZINC001164766633	721038970	/nfs/dbraw/zinc/03/89/70/721038970.db2.gz	RJNHOCBOUQPNQP-WOJBJXKFSA-N	1	1	410.522	1.782	20	0		HDADMO
Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)cn1	ZINC001164766625	721039409	/nfs/dbraw/zinc/03/94/09/721039409.db2.gz	RJNHOCBOUQPNQP-UXHICEINSA-N	1	1	410.522	1.782	20	0		HDADMO
Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CNCC2	ZINC001164869556	721045644	/nfs/dbraw/zinc/04/56/44/721045644.db2.gz	UHSLBNFXGUUNRA-HOTGVXAUSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CNCC2	ZINC001164869556	721045649	/nfs/dbraw/zinc/04/56/49/721045649.db2.gz	UHSLBNFXGUUNRA-HOTGVXAUSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CCNC2	ZINC001164865852	721057952	/nfs/dbraw/zinc/05/79/52/721057952.db2.gz	APAGUGFJMNNBPW-HOTGVXAUSA-N	1	1	400.914	1.650	20	0		HDADMO
Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CCNC2	ZINC001164865852	721057956	/nfs/dbraw/zinc/05/79/56/721057956.db2.gz	APAGUGFJMNNBPW-HOTGVXAUSA-N	1	1	400.914	1.650	20	0		HDADMO
COC(=O)c1nc2cnccc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164865236	721102595	/nfs/dbraw/zinc/10/25/95/721102595.db2.gz	JQVQDWZYJDKHQC-SJORKVTESA-N	1	1	420.473	1.686	20	0		HDADMO
O=C(c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCNCC1	ZINC001164865345	721110703	/nfs/dbraw/zinc/11/07/03/721110703.db2.gz	KFGJXYFALPEHEK-WOJBJXKFSA-N	1	1	422.533	1.002	20	0		HDADMO
O=C(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCNCC1	ZINC001164865345	721110710	/nfs/dbraw/zinc/11/07/10/721110710.db2.gz	KFGJXYFALPEHEK-WOJBJXKFSA-N	1	1	422.533	1.002	20	0		HDADMO
CCOC(=O)c1nnc(Cl)cc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164772746	721117499	/nfs/dbraw/zinc/11/74/99/721117499.db2.gz	WEYJKBBIMXHVKZ-CABCVRRESA-N	1	1	404.902	1.999	20	0		HDADMO
CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c21	ZINC001164872219	721129510	/nfs/dbraw/zinc/12/95/10/721129510.db2.gz	GYEFNIKBJQAPHU-JKSUJKDBSA-N	1	1	416.913	1.833	20	0		HDADMO
CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2C1	ZINC001164872192	721183532	/nfs/dbraw/zinc/18/35/32/721183532.db2.gz	GUPZWRIGDJMWFV-DLBZAZTESA-N	1	1	414.941	1.993	20	0		HDADMO
CCOC(=O)c1ncnc(Cl)c1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164769301	721185083	/nfs/dbraw/zinc/18/50/83/721185083.db2.gz	MAKRJMKEHXKJMW-CABCVRRESA-N	1	1	404.902	1.999	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1	ZINC001164771510	721196968	/nfs/dbraw/zinc/19/69/68/721196968.db2.gz	QTEIFEGWGVKETG-DLBZAZTESA-N	1	1	404.540	1.072	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@@H]3C2)cn1	ZINC001164767555	721202892	/nfs/dbraw/zinc/20/28/92/721202892.db2.gz	JZLULYFLXSZXRS-IRXDYDNUSA-N	1	1	416.551	1.214	20	0		HDADMO
CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1	ZINC001164876167	721264494	/nfs/dbraw/zinc/26/44/94/721264494.db2.gz	OHJVSTCADVUDKP-UHFFFAOYSA-N	1	1	404.511	1.265	20	0		HDADMO
COc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(SC)n1	ZINC001164869894	721272894	/nfs/dbraw/zinc/27/28/94/721272894.db2.gz	SLQMOWUFZDFHFV-UHFFFAOYSA-N	1	1	409.556	1.214	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(N4CCCCC4)ncn3)CC2)C1	ZINC001164873560	721283642	/nfs/dbraw/zinc/28/36/42/721283642.db2.gz	OKHLXWOXEITDTQ-UHFFFAOYSA-N	1	1	416.570	1.474	20	0		HDADMO
CCCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1	ZINC001164874413	721285509	/nfs/dbraw/zinc/28/55/09/721285509.db2.gz	RBIATXZMAZBWPB-UHFFFAOYSA-N	1	1	417.554	1.228	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(-c4ccccn4)ncn3)CC2)C1	ZINC001164877694	721286381	/nfs/dbraw/zinc/28/63/81/721286381.db2.gz	OAVIKRGOIOMQTH-UHFFFAOYSA-N	1	1	410.522	1.546	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3ncn4C3CC3)CC2)C1	ZINC001164878713	721287392	/nfs/dbraw/zinc/28/73/92/721287392.db2.gz	UHAHQCWJJSLRFT-UHFFFAOYSA-N	1	1	413.526	1.168	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)n2)CC1	ZINC001164882094	721352028	/nfs/dbraw/zinc/35/20/28/721352028.db2.gz	CAJZOKKXXYPXRU-WOJBJXKFSA-N	1	1	422.533	1.206	20	0		HDADMO
COC(=O)c1cc(C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164894564	721383045	/nfs/dbraw/zinc/38/30/45/721383045.db2.gz	ZBEIAYCEBMRSCO-KNQAVFIVSA-N	1	1	402.539	1.942	20	0		HDADMO
Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C(N)=O	ZINC001164885062	721384901	/nfs/dbraw/zinc/38/49/01/721384901.db2.gz	CFRBGOPYDNRJAS-KKSFZXQISA-N	1	1	421.973	1.908	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1OC	ZINC001164890967	721388460	/nfs/dbraw/zinc/38/84/60/721388460.db2.gz	PPWBPSJBPIWIPI-VGSWGCGISA-N	1	1	418.538	1.642	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Cl)n4)C3)O2)CC1	ZINC001164891543	721397381	/nfs/dbraw/zinc/39/73/81/721397381.db2.gz	QIPAUPSOMMJUCK-DYVFJYSZSA-N	1	1	401.342	1.944	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CC5)cn4)C3)O2)CC1	ZINC001164891499	721416117	/nfs/dbraw/zinc/41/61/17/721416117.db2.gz	WMPGFVQOEWTHLX-OFNKIYASSA-N	1	1	413.566	1.739	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)C3)O2)CC1	ZINC001164890486	721421923	/nfs/dbraw/zinc/42/19/23/721421923.db2.gz	STWLCSJRFJIMGY-KUHUBIRLSA-N	1	1	405.934	1.772	20	0		HDADMO
Cc1cn(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)cn1	ZINC001164883721	721424390	/nfs/dbraw/zinc/42/43/90/721424390.db2.gz	BXBLULRDWWZXAH-DENIHFKCSA-N	1	1	411.554	1.736	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164890265	721426323	/nfs/dbraw/zinc/42/63/23/721426323.db2.gz	CWTBTIRSVMXUNJ-GCJKJVERSA-N	1	1	417.554	1.480	20	0		HDADMO
COc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2c1ccn2C	ZINC001164889147	721448415	/nfs/dbraw/zinc/44/84/15/721448415.db2.gz	NYFHQPGKVWPMDI-HTAPYJJXSA-N	1	1	414.554	1.742	20	0		HDADMO
CCOC(=O)Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164885398	721451720	/nfs/dbraw/zinc/45/17/20/721451720.db2.gz	DNKUBAVJEOOXTO-REWPJTCUSA-N	1	1	416.566	1.953	20	0		HDADMO
CCS(=O)(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164889145	721453327	/nfs/dbraw/zinc/45/33/27/721453327.db2.gz	NXRNIOJMNCJISC-RXVVDRJESA-N	1	1	422.595	1.641	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164907591	721543527	/nfs/dbraw/zinc/54/35/27/721543527.db2.gz	NGLQJYIIGALJSD-AEFFLSMTSA-N	1	1	420.510	1.861	20	0		HDADMO
CCOC(=O)Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1	ZINC001164805846	721561063	/nfs/dbraw/zinc/56/10/63/721561063.db2.gz	PCYWNTZFGQCFHR-IRFCIJBXSA-N	1	1	411.506	1.845	20	0		HDADMO
CCOC(=O)Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1	ZINC001164805846	721561066	/nfs/dbraw/zinc/56/10/66/721561066.db2.gz	PCYWNTZFGQCFHR-IRFCIJBXSA-N	1	1	411.506	1.845	20	0		HDADMO
NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)c1	ZINC001164905963	721567177	/nfs/dbraw/zinc/56/71/77/721567177.db2.gz	IGGYYNOXKOKDMZ-DZGCQCFKSA-N	1	1	410.446	1.349	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@@H]2CCCO[C@H]12	ZINC001164800739	721584440	/nfs/dbraw/zinc/58/44/40/721584440.db2.gz	CQUPDBPAAHASQP-SBHAEUEKSA-N	1	1	408.506	1.632	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@@H]2CCCO[C@H]12	ZINC001164800739	721584442	/nfs/dbraw/zinc/58/44/42/721584442.db2.gz	CQUPDBPAAHASQP-SBHAEUEKSA-N	1	1	408.506	1.632	20	0		HDADMO
CON(C)C(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1	ZINC001164801154	721584495	/nfs/dbraw/zinc/58/44/95/721584495.db2.gz	DSFVADUEKJZOAB-IRFCIJBXSA-N	1	1	411.506	1.978	20	0		HDADMO
Cc1nc(CN2CCOC[C@]3(CN(c4cc(N(C)C)nc(C)[nH+]4)CCO3)C2)cs1	ZINC001164925529	721823865	/nfs/dbraw/zinc/82/38/65/721823865.db2.gz	RTTFUNWDKORQBF-HXUWFJFHSA-N	1	1	418.567	1.724	20	0		HDADMO
Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]cnc5c4ccn5C)CCO3)C2)cs1	ZINC001164922065	721824406	/nfs/dbraw/zinc/82/44/06/721824406.db2.gz	CCUHFVLIMGIUSG-HXUWFJFHSA-N	1	1	414.535	1.841	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@H]21	ZINC001165026684	721828385	/nfs/dbraw/zinc/82/83/85/721828385.db2.gz	PGFOJBUSDUYRAZ-DJIMGWMZSA-N	1	1	402.524	1.256	20	0		HDADMO
CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2	ZINC001164927332	721836932	/nfs/dbraw/zinc/83/69/32/721836932.db2.gz	UAALPETVGSPKIF-XMSQKQJNSA-N	1	1	424.553	1.283	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1	ZINC001164931488	721881483	/nfs/dbraw/zinc/88/14/83/721881483.db2.gz	FTPNYRHPYKNDOL-DLBZAZTESA-N	1	1	400.527	1.127	20	0		HDADMO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1	ZINC001164931488	721881485	/nfs/dbraw/zinc/88/14/85/721881485.db2.gz	FTPNYRHPYKNDOL-DLBZAZTESA-N	1	1	400.527	1.127	20	0		HDADMO
Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CCCO[C@H]12	ZINC001164973624	722093541	/nfs/dbraw/zinc/09/35/41/722093541.db2.gz	BHDQDHCRPDHIFP-CMKODMSKSA-N	1	1	410.522	1.576	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1	ZINC001164981467	722131401	/nfs/dbraw/zinc/13/14/01/722131401.db2.gz	ORZZWLIGRSSTIY-ICSRJNTNSA-N	1	1	411.506	1.705	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164973296	722140054	/nfs/dbraw/zinc/14/00/54/722140054.db2.gz	BRQSZPVQUBXYGW-IEBWSBKVSA-N	1	1	417.535	1.112	20	0		HDADMO
CCN(CC)c1ccnc([C@@H]2COCCN2c2ccnc(N3CC[NH+](C)CC3)n2)n1	ZINC001164998432	722227524	/nfs/dbraw/zinc/22/75/24/722227524.db2.gz	BYJKQJBBGHDGES-KRWDZBQOSA-N	1	1	412.542	1.443	20	0		HDADMO
Cc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1N1CCCC1	ZINC001164996503	722228670	/nfs/dbraw/zinc/22/86/70/722228670.db2.gz	ILWSNUHKNXQJFR-UHFFFAOYSA-N	1	1	408.554	1.532	20	0		HDADMO
COc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc2ccccc21	ZINC001164996248	722234984	/nfs/dbraw/zinc/23/49/84/722234984.db2.gz	AGROFCQSSMGMIY-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2ncn4C2CC2)CC3)CC1	ZINC001165002287	722238047	/nfs/dbraw/zinc/23/80/47/722238047.db2.gz	SRAXMOKLQBVFEZ-UHFFFAOYSA-N	1	1	405.510	1.308	20	0		HDADMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000429044444	1073456882	/nfs/dbraw/zinc/45/68/82/1073456882.db2.gz	UIZMCLQOOJSHKV-KNQAVFIVSA-N	1	1	400.523	1.589	20	0		HDADMO
CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1S(=O)(=O)N(CC)CC	ZINC000509071384	1073457624	/nfs/dbraw/zinc/45/76/24/1073457624.db2.gz	PVEZJZZMSQGCGP-GDBMZVCRSA-N	1	1	413.540	1.367	20	0		HDADMO
CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1S(=O)(=O)N(CC)CC	ZINC000509071384	1073457627	/nfs/dbraw/zinc/45/76/27/1073457627.db2.gz	PVEZJZZMSQGCGP-GDBMZVCRSA-N	1	1	413.540	1.367	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1nnnn1CC(F)(F)F)CC2	ZINC000429059925	1073494576	/nfs/dbraw/zinc/49/45/76/1073494576.db2.gz	KXALDBFQSLTKAK-UHFFFAOYSA-N	1	1	401.389	1.862	20	0		HDADMO
COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1nnnn1CC(F)(F)F)CC2	ZINC000429059925	1073494582	/nfs/dbraw/zinc/49/45/82/1073494582.db2.gz	KXALDBFQSLTKAK-UHFFFAOYSA-N	1	1	401.389	1.862	20	0		HDADMO
O=C(Nc1nncs1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673644937	1073505437	/nfs/dbraw/zinc/50/54/37/1073505437.db2.gz	VZOFYHWNAQZFBO-INIZCTEOSA-N	1	1	400.508	1.775	20	0		HDADMO
O=C(Nc1nncs1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673644937	1073505444	/nfs/dbraw/zinc/50/54/44/1073505444.db2.gz	VZOFYHWNAQZFBO-INIZCTEOSA-N	1	1	400.508	1.775	20	0		HDADMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1	ZINC001299282135	1073526334	/nfs/dbraw/zinc/52/63/34/1073526334.db2.gz	YTLMTQWEEZGRSY-KRWDZBQOSA-N	1	1	417.531	1.650	20	0		HDADMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1	ZINC001299282135	1073526343	/nfs/dbraw/zinc/52/63/43/1073526343.db2.gz	YTLMTQWEEZGRSY-KRWDZBQOSA-N	1	1	417.531	1.650	20	0		HDADMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000429081707	1073527074	/nfs/dbraw/zinc/52/70/74/1073527074.db2.gz	PWAHOZAEANDCIZ-BRWVUGGUSA-N	1	1	400.531	1.369	20	0		HDADMO
CC[N@@H+](Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1)C(C)C	ZINC000625163206	1073527114	/nfs/dbraw/zinc/52/71/14/1073527114.db2.gz	PCYMIJKEVBSFTR-UHFFFAOYSA-N	1	1	410.584	1.224	20	0		HDADMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1	ZINC000429088550	1073539319	/nfs/dbraw/zinc/53/93/19/1073539319.db2.gz	SYZZCFCAHDDRGY-MSOLQXFVSA-N	1	1	414.558	1.618	20	0		HDADMO
CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000625183282	1073543289	/nfs/dbraw/zinc/54/32/89/1073543289.db2.gz	MNOIULJLIFGGBU-IBGZPJMESA-N	1	1	423.579	1.948	20	0		HDADMO
O=C(CCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)N1CC(=O)Nc2ccccc21	ZINC000625190512	1073557942	/nfs/dbraw/zinc/55/79/42/1073557942.db2.gz	QHGKOBXSPRZWHG-KRWDZBQOSA-N	1	1	414.506	1.465	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@](C)(O)Cc2ccccc2)cc1	ZINC000673658531	1073602556	/nfs/dbraw/zinc/60/25/56/1073602556.db2.gz	NHNDGIHNYOEOJB-DEOSSOPVSA-N	1	1	424.545	1.829	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1F	ZINC000766018301	1073620279	/nfs/dbraw/zinc/62/02/79/1073620279.db2.gz	DLEFDINOSKGPHT-MRXNPFEDSA-N	1	1	407.446	1.774	20	0		HDADMO
CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673668854	1073623121	/nfs/dbraw/zinc/62/31/21/1073623121.db2.gz	BFRLDPVITNZQCO-AZUAARDMSA-N	1	1	412.534	1.132	20	0		HDADMO
CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673668854	1073623124	/nfs/dbraw/zinc/62/31/24/1073623124.db2.gz	BFRLDPVITNZQCO-AZUAARDMSA-N	1	1	412.534	1.132	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000673715627	1073653537	/nfs/dbraw/zinc/65/35/37/1073653537.db2.gz	HSGXVTYDDFMEEQ-SFHVURJKSA-N	1	1	402.520	1.479	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000673716270	1073655237	/nfs/dbraw/zinc/65/52/37/1073655237.db2.gz	QSXDWJSMZXRDPI-FQEVSTJZSA-N	1	1	410.518	1.770	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(Cn4cncn4)cc3)c2)CC1	ZINC000673729287	1073662660	/nfs/dbraw/zinc/66/26/60/1073662660.db2.gz	VPODTNBBBXEPSI-UHFFFAOYSA-N	1	1	418.501	1.895	20	0		HDADMO
C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673741354	1073674390	/nfs/dbraw/zinc/67/43/90/1073674390.db2.gz	WMGCGALITNZKSD-NVXWUHKLSA-N	1	1	412.538	1.308	20	0		HDADMO
C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673741354	1073674392	/nfs/dbraw/zinc/67/43/92/1073674392.db2.gz	WMGCGALITNZKSD-NVXWUHKLSA-N	1	1	412.538	1.308	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnn(CC(=O)NC4CCCCC4)c3)CC2)C1	ZINC000673742052	1073676199	/nfs/dbraw/zinc/67/61/99/1073676199.db2.gz	IWQMLVKNRPBLCE-FQEVSTJZSA-N	1	1	416.570	1.184	20	0		HDADMO
CC[N@H+](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C[C@H]1CCOC1	ZINC000673755098	1073690029	/nfs/dbraw/zinc/69/00/29/1073690029.db2.gz	RXQXOQSJUBMFES-HXUWFJFHSA-N	1	1	416.566	1.745	20	0		HDADMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1	ZINC000429120554	1073693656	/nfs/dbraw/zinc/69/36/56/1073693656.db2.gz	HFFCXQJHCVCSFS-CQSZACIVSA-N	1	1	406.483	1.498	20	0		HDADMO
C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1	ZINC000673775364	1073708584	/nfs/dbraw/zinc/70/85/84/1073708584.db2.gz	GQJPHLRWGXHGTF-KRWDZBQOSA-N	1	1	411.572	1.031	20	0		HDADMO
CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3csc(C)n3)CC2)cc1	ZINC000509138980	1073712604	/nfs/dbraw/zinc/71/26/04/1073712604.db2.gz	OICMTJAUJJGIOL-IBGZPJMESA-N	1	1	404.536	1.967	20	0		HDADMO
C[C@@H](CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1	ZINC000673777944	1073734117	/nfs/dbraw/zinc/73/41/17/1073734117.db2.gz	QGZSXZTYRSLDBV-UNMCSNQZSA-N	1	1	417.598	1.603	20	0		HDADMO
C[C@@H](CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1	ZINC000673777944	1073734127	/nfs/dbraw/zinc/73/41/27/1073734127.db2.gz	QGZSXZTYRSLDBV-UNMCSNQZSA-N	1	1	417.598	1.603	20	0		HDADMO
CN(CCCNC(=O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)S(C)(=O)=O	ZINC000429134879	1073741780	/nfs/dbraw/zinc/74/17/80/1073741780.db2.gz	LLEOVCKXQIBOOK-MRXNPFEDSA-N	1	1	420.000	1.904	20	0		HDADMO
CN(CCCNC(=O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)S(C)(=O)=O	ZINC000429134879	1073741789	/nfs/dbraw/zinc/74/17/89/1073741789.db2.gz	LLEOVCKXQIBOOK-MRXNPFEDSA-N	1	1	420.000	1.904	20	0		HDADMO
COc1cc(C[NH2+]Cc2csc(N(C)C)n2)ccc1OCC(=O)N1CCOCC1	ZINC000673811277	1073755873	/nfs/dbraw/zinc/75/58/73/1073755873.db2.gz	STQGIOZJDMEGND-UHFFFAOYSA-N	1	1	420.535	1.745	20	0		HDADMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](CCCO)c1ccccc1	ZINC000509157432	1073785182	/nfs/dbraw/zinc/78/51/82/1073785182.db2.gz	VUFWJWMUWQMVCS-FXAWDEMLSA-N	1	1	403.523	1.328	20	0		HDADMO
Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)ccc1-n1cnnn1	ZINC000057261457	1073804471	/nfs/dbraw/zinc/80/44/71/1073804471.db2.gz	WRVCLJJQVGQDDH-IBGZPJMESA-N	1	1	405.462	1.673	20	0		HDADMO
Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)ccc1-n1cnnn1	ZINC000057261457	1073804481	/nfs/dbraw/zinc/80/44/81/1073804481.db2.gz	WRVCLJJQVGQDDH-IBGZPJMESA-N	1	1	405.462	1.673	20	0		HDADMO
CSc1nnc(CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)s1	ZINC000429154124	1073805976	/nfs/dbraw/zinc/80/59/76/1073805976.db2.gz	FRKWGMNLLOUKEH-UHFFFAOYSA-N	1	1	407.569	1.667	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)c2)C1	ZINC000673837996	1073812802	/nfs/dbraw/zinc/81/28/02/1073812802.db2.gz	QNLWEMLSRKMMAG-UXHICEINSA-N	1	1	422.533	1.459	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000057322845	1073816373	/nfs/dbraw/zinc/81/63/73/1073816373.db2.gz	KJYHCTSCCLFVKN-TZIWHRDSSA-N	1	1	416.566	1.194	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000057322842	1073816432	/nfs/dbraw/zinc/81/64/32/1073816432.db2.gz	KJYHCTSCCLFVKN-FPOVZHCZSA-N	1	1	416.566	1.194	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1	ZINC000673872345	1073838165	/nfs/dbraw/zinc/83/81/65/1073838165.db2.gz	FJGJIYBAYHGVHI-OAQYLSRUSA-N	1	1	412.538	1.954	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@H](C)[C@H](OC)C1	ZINC000466545656	1073838759	/nfs/dbraw/zinc/83/87/59/1073838759.db2.gz	PHDCOHWKLUUEMO-HNAYVOBHSA-N	1	1	404.511	1.972	20	0		HDADMO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN(C(C)(C)CO)CC2)CC1	ZINC000673896204	1073866482	/nfs/dbraw/zinc/86/64/82/1073866482.db2.gz	RAPLRSPLHRJRIZ-UHFFFAOYSA-N	1	1	402.583	1.418	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCN(C(C)(C)CO)CC2)CC1	ZINC000673896204	1073866491	/nfs/dbraw/zinc/86/64/91/1073866491.db2.gz	RAPLRSPLHRJRIZ-UHFFFAOYSA-N	1	1	402.583	1.418	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4[nH]ccc4s2)C3)O1	ZINC001004821672	1073870160	/nfs/dbraw/zinc/87/01/60/1073870160.db2.gz	ITKJVMYDOHSPMI-RIQILIMLSA-N	1	1	402.520	1.810	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4[nH]ccc4s2)C3)O1	ZINC001004821672	1073870173	/nfs/dbraw/zinc/87/01/73/1073870173.db2.gz	ITKJVMYDOHSPMI-RIQILIMLSA-N	1	1	402.520	1.810	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC[C@@](O)(C(F)(F)F)C3)cc2)CC1	ZINC000673915454	1073886023	/nfs/dbraw/zinc/88/60/23/1073886023.db2.gz	IXZWOPWGACFTFR-SFHVURJKSA-N	1	1	414.428	1.995	20	0		HDADMO
C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C1([NH+]2CCOCC2)CCCC1	ZINC000673938748	1073911548	/nfs/dbraw/zinc/91/15/48/1073911548.db2.gz	DOEVOSQWICXGRF-KRWDZBQOSA-N	1	1	423.579	1.542	20	0		HDADMO
CSc1nc2nc(C)c(CC(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)c(C)n2n1	ZINC000026068236	1073929883	/nfs/dbraw/zinc/92/98/83/1073929883.db2.gz	JYQKAVPUOWCTNN-INIZCTEOSA-N	1	1	420.583	1.869	20	0		HDADMO
CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000429173229	1073940325	/nfs/dbraw/zinc/94/03/25/1073940325.db2.gz	ANUUJYNHJZAWAV-GOSISDBHSA-N	1	1	411.572	1.125	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000429174476	1073942821	/nfs/dbraw/zinc/94/28/21/1073942821.db2.gz	YRZQOMXVKKWQMT-DLBZAZTESA-N	1	1	403.593	1.115	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000429179299	1073966943	/nfs/dbraw/zinc/96/69/43/1073966943.db2.gz	FXJDQFLWTBQSRW-SFHVURJKSA-N	1	1	407.946	1.771	20	0		HDADMO
O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)N1CCC[C@@H](O)C1	ZINC000670441355	1073967866	/nfs/dbraw/zinc/96/78/66/1073967866.db2.gz	NYSGDIGOZXMZFU-BHIFYINESA-N	1	1	407.514	1.754	20	0		HDADMO
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)N1CC[NH+](C)CC1	ZINC000543520679	1073990195	/nfs/dbraw/zinc/99/01/95/1073990195.db2.gz	DMMZXQBTFABDRX-NSHDSACASA-N	1	1	408.446	1.651	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1	ZINC000543522719	1073992211	/nfs/dbraw/zinc/99/22/11/1073992211.db2.gz	PBUVXEXFPFADKH-UHFFFAOYSA-N	1	1	408.612	1.786	20	0		HDADMO
CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000509187973	1073994549	/nfs/dbraw/zinc/99/45/49/1073994549.db2.gz	YLLUIMWELGAZRH-MSOLQXFVSA-N	1	1	400.527	1.844	20	0		HDADMO
C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1	ZINC000484452968	1074011255	/nfs/dbraw/zinc/01/12/55/1074011255.db2.gz	NXQUIFGALMYAOP-OPYAIIAOSA-N	1	1	407.530	1.373	20	0		HDADMO
C[C@@H]1C[NH+](C[C@@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1	ZINC000484452968	1074011264	/nfs/dbraw/zinc/01/12/64/1074011264.db2.gz	NXQUIFGALMYAOP-OPYAIIAOSA-N	1	1	407.530	1.373	20	0		HDADMO
CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1	ZINC001299292256	1074047043	/nfs/dbraw/zinc/04/70/43/1074047043.db2.gz	UGFDOKHAHMKHSG-YOEHRIQHSA-N	1	1	404.540	1.216	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@H](C)c2cn(-c3ccccc3)nn2)C1	ZINC000543545300	1074058634	/nfs/dbraw/zinc/05/86/34/1074058634.db2.gz	JWMCNMJYFNZDOR-MJGOQNOKSA-N	1	1	400.527	1.391	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc2)C[C@H](C)O1	ZINC000429198241	1074061085	/nfs/dbraw/zinc/06/10/85/1074061085.db2.gz	RBGQUOMXFPKXBU-JTDSTZFVSA-N	1	1	400.523	1.858	20	0		HDADMO
COCc1nc2n(n1)C[C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)CC2	ZINC000466600873	1074063006	/nfs/dbraw/zinc/06/30/06/1074063006.db2.gz	YIKVXOXXEMRXCR-WMZOPIPTSA-N	1	1	400.527	1.949	20	0		HDADMO
CO[C@H](C)c1noc(CN2CCCN(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)n1	ZINC000429200673	1074065010	/nfs/dbraw/zinc/06/50/10/1074065010.db2.gz	QQJWHNQLBRWNSH-HZPDHXFCSA-N	1	1	420.514	1.890	20	0		HDADMO
Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1	ZINC000543556390	1074085633	/nfs/dbraw/zinc/08/56/33/1074085633.db2.gz	BYGVZNGCKLNCPC-ALOPSCKCSA-N	1	1	424.505	1.350	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C(=O)N1c1cnn(C)c1	ZINC000674033475	1074101697	/nfs/dbraw/zinc/10/16/97/1074101697.db2.gz	KVIMROYRANWWSH-KDOFPFPSSA-N	1	1	402.474	1.484	20	0		HDADMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CCN4CCOC[C@H]4C3)CC2)cc1	ZINC000543559725	1074107394	/nfs/dbraw/zinc/10/73/94/1074107394.db2.gz	RSOREBFJLQICEX-JOCHJYFZSA-N	1	1	400.567	1.471	20	0		HDADMO
CCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)C1	ZINC000674041016	1074124248	/nfs/dbraw/zinc/12/42/48/1074124248.db2.gz	ZSAZYXWNLSFFCS-KRWDZBQOSA-N	1	1	416.522	1.288	20	0		HDADMO
COC(=O)NCc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1	ZINC000766058360	1074155526	/nfs/dbraw/zinc/15/55/26/1074155526.db2.gz	CNSWSQVRUZGGJQ-QGZVFWFLSA-N	1	1	403.483	1.313	20	0		HDADMO
CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1	ZINC000543578576	1074162078	/nfs/dbraw/zinc/16/20/78/1074162078.db2.gz	NXYIUPXZOMSSRA-LPHOPBHVSA-N	1	1	413.522	1.384	20	0		HDADMO
Cn1cc[nH+]c1CC1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1	ZINC000429221531	1074172235	/nfs/dbraw/zinc/17/22/35/1074172235.db2.gz	KBOKBZDMAITWRT-GJYPPUQNSA-N	1	1	405.568	1.927	20	0		HDADMO
Cn1cc[nH+]c1CC1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1	ZINC000429221530	1074172341	/nfs/dbraw/zinc/17/23/41/1074172341.db2.gz	KBOKBZDMAITWRT-BXWFABGCSA-N	1	1	405.568	1.927	20	0		HDADMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000674136697	1074193166	/nfs/dbraw/zinc/19/31/66/1074193166.db2.gz	OAVQJXCUZBLGFU-JCGIZDLHSA-N	1	1	407.536	1.641	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1	ZINC000674137522	1074194093	/nfs/dbraw/zinc/19/40/93/1074194093.db2.gz	ZGZMBHPMGVUAIR-KSSFIOAISA-N	1	1	418.519	1.752	20	0		HDADMO
O=C(NC[C@@H]1SCCc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000674159729	1074196159	/nfs/dbraw/zinc/19/61/59/1074196159.db2.gz	OPAWFJCRYYYLMI-ICSRJNTNSA-N	1	1	404.580	1.723	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCO)[C@@H]1CCCc2ccccc21	ZINC000674160210	1074196564	/nfs/dbraw/zinc/19/65/64/1074196564.db2.gz	RWLKSMPHOSTRSE-RBBKRZOGSA-N	1	1	416.566	1.474	20	0		HDADMO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000674192635	1074206195	/nfs/dbraw/zinc/20/61/95/1074206195.db2.gz	ICWZZZMLFHZXCW-INIZCTEOSA-N	1	1	402.495	1.326	20	0		HDADMO
Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000674194885	1074209240	/nfs/dbraw/zinc/20/92/40/1074209240.db2.gz	QZRANCPVWCCJJQ-QGZVFWFLSA-N	1	1	412.494	1.222	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000674226310	1074234335	/nfs/dbraw/zinc/23/43/35/1074234335.db2.gz	PPJDMRDVXLILGC-CRAIPNDOSA-N	1	1	422.485	1.983	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1	ZINC000674251055	1074243183	/nfs/dbraw/zinc/24/31/83/1074243183.db2.gz	IUMPTUWRWFFGJW-FQEVSTJZSA-N	1	1	415.559	1.913	20	0		HDADMO
CCN(C(=O)[C@H](C)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000674264938	1074246404	/nfs/dbraw/zinc/24/64/04/1074246404.db2.gz	PGXJLZRHNURABR-SXLOBPIMSA-N	1	1	407.580	1.617	20	0		HDADMO
CCN(C(=O)[C@H](C)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	ZINC000674264938	1074246415	/nfs/dbraw/zinc/24/64/15/1074246415.db2.gz	PGXJLZRHNURABR-SXLOBPIMSA-N	1	1	407.580	1.617	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000674270813	1074251100	/nfs/dbraw/zinc/25/11/00/1074251100.db2.gz	JBNTWGYBICZXFX-IRXDYDNUSA-N	1	1	414.531	1.741	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1	ZINC000674298051	1074262314	/nfs/dbraw/zinc/26/23/14/1074262314.db2.gz	NEILRBZYUNASRW-SFHVURJKSA-N	1	1	421.523	1.010	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C[C@@H](O)C1CC1	ZINC000674314415	1074270330	/nfs/dbraw/zinc/27/03/30/1074270330.db2.gz	DDSJEARMZWVBKQ-OAHLLOKOSA-N	1	1	416.385	1.858	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)C2CC2)CC1	ZINC000674315059	1074270480	/nfs/dbraw/zinc/27/04/80/1074270480.db2.gz	VXHRUMNGFDHFBR-HXUWFJFHSA-N	1	1	402.539	1.034	20	0		HDADMO
O=C(CNc1ccccc1Cl)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000674321641	1074271334	/nfs/dbraw/zinc/27/13/34/1074271334.db2.gz	ZRUZLFFNTFBQHR-UHFFFAOYSA-N	1	1	422.957	1.829	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1	ZINC000674326521	1074276362	/nfs/dbraw/zinc/27/63/62/1074276362.db2.gz	MXAAEKZXOCFBNF-FUHWJXTLSA-N	1	1	417.531	1.882	20	0		HDADMO
COC1CC[NH+](CCNC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC1	ZINC000674328134	1074276994	/nfs/dbraw/zinc/27/69/94/1074276994.db2.gz	MGIPWHWJOCWHSJ-OAQYLSRUSA-N	1	1	403.571	1.385	20	0		HDADMO
Cc1noc(C(F)F)c1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000674320154	1074280900	/nfs/dbraw/zinc/28/09/00/1074280900.db2.gz	DFCQMLWSGMFIQZ-UHFFFAOYSA-N	1	1	414.453	1.611	20	0		HDADMO
COC1CC[NH+](CCNS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1	ZINC000674333902	1074282994	/nfs/dbraw/zinc/28/29/94/1074282994.db2.gz	QUXFXWSKLRKFDA-UHFFFAOYSA-N	1	1	407.895	1.827	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1	ZINC000674330902	1074285774	/nfs/dbraw/zinc/28/57/74/1074285774.db2.gz	AXGSKTPOJPXCBG-PKOBYXMFSA-N	1	1	423.583	1.173	20	0		HDADMO
CCCn1ccnc1CCC[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000429227005	1074290605	/nfs/dbraw/zinc/29/06/05/1074290605.db2.gz	MNFCQUXKHOTAFL-UHFFFAOYSA-N	1	1	419.551	1.394	20	0		HDADMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000674368927	1074298009	/nfs/dbraw/zinc/29/80/09/1074298009.db2.gz	VUKFEFRJLYQKNP-QGTPRVQTSA-N	1	1	422.551	1.397	20	0		HDADMO
CCC[C@@](C)(CO)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674382628	1074306935	/nfs/dbraw/zinc/30/69/35/1074306935.db2.gz	PWEVJSYXCDAAOM-NRFANRHFSA-N	1	1	405.543	1.569	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)n1C	ZINC000674402734	1074309304	/nfs/dbraw/zinc/30/93/04/1074309304.db2.gz	LWFBMYZSRGEVRS-SFHVURJKSA-N	1	1	420.945	1.700	20	0		HDADMO
C[C@H](CNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@@H+]1CCc2sccc2C1	ZINC000674424157	1074325440	/nfs/dbraw/zinc/32/54/40/1074325440.db2.gz	HVKMTQFFENABHI-AFBRZQFHSA-N	1	1	419.551	1.514	20	0		HDADMO
C[C@H](CNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@H+]1CCc2sccc2C1	ZINC000674424157	1074325446	/nfs/dbraw/zinc/32/54/46/1074325446.db2.gz	HVKMTQFFENABHI-AFBRZQFHSA-N	1	1	419.551	1.514	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N(C)CCN2CCCS2(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000674439978	1074338717	/nfs/dbraw/zinc/33/87/17/1074338717.db2.gz	LMCSNWKNCXYYBX-IEBWSBKVSA-N	1	1	408.568	1.716	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000674430414	1074342186	/nfs/dbraw/zinc/34/21/86/1074342186.db2.gz	ZOIYFHZDANRJKT-MRXNPFEDSA-N	1	1	414.597	1.637	20	0		HDADMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C1	ZINC000674433177	1074343495	/nfs/dbraw/zinc/34/34/95/1074343495.db2.gz	SPEBQMQXODGWHQ-XFQAVAEZSA-N	1	1	407.559	1.907	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1	ZINC000674455112	1074357803	/nfs/dbraw/zinc/35/78/03/1074357803.db2.gz	WJKKQUIQTRHARN-YDGKCNFYSA-N	1	1	413.522	1.842	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)CCN2C1=O	ZINC000674469700	1074368331	/nfs/dbraw/zinc/36/83/31/1074368331.db2.gz	JWAMQQVUADGYEH-UKRRQHHQSA-N	1	1	412.284	1.157	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CCN2C1=O	ZINC000674500461	1074393151	/nfs/dbraw/zinc/39/31/51/1074393151.db2.gz	DHDGTKATWVMEPJ-GOSISDBHSA-N	1	1	424.505	1.786	20	0		HDADMO
Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+]2C[C@H](O)C[C@H](O)C2)c2ccccc2)cc1	ZINC000674496892	1074407996	/nfs/dbraw/zinc/40/79/96/1074407996.db2.gz	BKLWXFKWLHWCFJ-ZVDOUQERSA-N	1	1	404.532	1.832	20	0		HDADMO
C[C@@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674516735	1074419343	/nfs/dbraw/zinc/41/93/43/1074419343.db2.gz	VNQKWAKGRJCWGY-MJGOQNOKSA-N	1	1	422.595	1.279	20	0		HDADMO
C[N@@H+](CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C1(CO)CCC1	ZINC000429231915	1074426120	/nfs/dbraw/zinc/42/61/20/1074426120.db2.gz	IEPIENKQAXVUGQ-UHFFFAOYSA-N	1	1	421.563	1.597	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)Nc1ccc(CC[NH+]3CCOCC3)cc1)CC2	ZINC000674562606	1074440434	/nfs/dbraw/zinc/44/04/34/1074440434.db2.gz	OEDZRDOIOXZCBY-UHFFFAOYSA-N	1	1	411.506	1.728	20	0		HDADMO
CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1	ZINC000674621852	1074482054	/nfs/dbraw/zinc/48/20/54/1074482054.db2.gz	ZEOHEFKXCHXKGT-VQTJNVASSA-N	1	1	402.539	1.835	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1=O	ZINC000674616486	1074486412	/nfs/dbraw/zinc/48/64/12/1074486412.db2.gz	SFLYTFJDXSMRRM-PSGMQZRDSA-N	1	1	421.929	1.962	20	0		HDADMO
CCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000674631190	1074494969	/nfs/dbraw/zinc/49/49/69/1074494969.db2.gz	MKJPSZOZFCYIFE-NQIIRXRSSA-N	1	1	413.566	1.992	20	0		HDADMO
CCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000674631190	1074494975	/nfs/dbraw/zinc/49/49/75/1074494975.db2.gz	MKJPSZOZFCYIFE-NQIIRXRSSA-N	1	1	413.566	1.992	20	0		HDADMO
C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1	ZINC000674630614	1074495545	/nfs/dbraw/zinc/49/55/45/1074495545.db2.gz	FJUNYWPBJKKZBY-WMZOPIPTSA-N	1	1	420.558	1.884	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2	ZINC000674643243	1074501620	/nfs/dbraw/zinc/50/16/20/1074501620.db2.gz	XTDSRPCQXMHZGD-UHFFFAOYSA-N	1	1	411.510	1.407	20	0		HDADMO
C[C@H](C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674666633	1074513492	/nfs/dbraw/zinc/51/34/92/1074513492.db2.gz	IVKQMCWLJAPTOB-INIZCTEOSA-N	1	1	421.563	1.206	20	0		HDADMO
C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674672473	1074516223	/nfs/dbraw/zinc/51/62/23/1074516223.db2.gz	QMFVUVPVVAPNGJ-JTSKRJEESA-N	1	1	416.543	1.947	20	0		HDADMO
Cc1cnc([C@H](C)NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)s1	ZINC000674684280	1074522708	/nfs/dbraw/zinc/52/27/08/1074522708.db2.gz	LEVJRRANDGWTMS-HNNXBMFYSA-N	1	1	421.567	1.031	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CO)cc1S(=O)(=O)N1CCCCC1	ZINC000674714567	1074533022	/nfs/dbraw/zinc/53/30/22/1074533022.db2.gz	ZJMHIYANBVTQJH-GOSISDBHSA-N	1	1	409.552	1.955	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CO)cc1S(=O)(=O)N1CCCCC1	ZINC000674714567	1074533028	/nfs/dbraw/zinc/53/30/28/1074533028.db2.gz	ZJMHIYANBVTQJH-GOSISDBHSA-N	1	1	409.552	1.955	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCCC[C@@H]2CO)C2CCCC2)c(=O)[nH]c1=O	ZINC000674714006	1074533463	/nfs/dbraw/zinc/53/34/63/1074533463.db2.gz	KRBGKTPNYBGNHR-MRXNPFEDSA-N	1	1	421.542	1.454	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@H+]2CCCC[C@@H]2CO)C2CCCC2)c(=O)[nH]c1=O	ZINC000674714006	1074533468	/nfs/dbraw/zinc/53/34/68/1074533468.db2.gz	KRBGKTPNYBGNHR-MRXNPFEDSA-N	1	1	421.542	1.454	20	0		HDADMO
Cc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(N2CCOCC2)c1	ZINC000674707825	1074536261	/nfs/dbraw/zinc/53/62/61/1074536261.db2.gz	RQUUZZGQLDHOPA-HXUWFJFHSA-N	1	1	402.539	1.838	20	0		HDADMO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1	ZINC000674762800	1074557063	/nfs/dbraw/zinc/55/70/63/1074557063.db2.gz	YZTCULVKWNRLDJ-UHFFFAOYSA-N	1	1	423.517	1.765	20	0		HDADMO
CN(C)C(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1	ZINC000674764907	1074559476	/nfs/dbraw/zinc/55/94/76/1074559476.db2.gz	MMJDSQCHEAMBMQ-SFHVURJKSA-N	1	1	423.517	1.750	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCc3nnnn3C3CC3)C2)cc(OC)c1	ZINC000674780948	1074562995	/nfs/dbraw/zinc/56/29/95/1074562995.db2.gz	QTEYUJGBSFZZOL-CQSZACIVSA-N	1	1	401.471	1.099	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCc3nnnn3C3CC3)C2)cc(OC)c1	ZINC000674780948	1074563000	/nfs/dbraw/zinc/56/30/00/1074563000.db2.gz	QTEYUJGBSFZZOL-CQSZACIVSA-N	1	1	401.471	1.099	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[C@@H]1C[N@H+](C)CCO1	ZINC000674811384	1074576506	/nfs/dbraw/zinc/57/65/06/1074576506.db2.gz	DDFGOPVMMXTKSG-YJBOKZPZSA-N	1	1	416.547	1.380	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[C@@H]1C[N@@H+](C)CCO1	ZINC000674811384	1074576514	/nfs/dbraw/zinc/57/65/14/1074576514.db2.gz	DDFGOPVMMXTKSG-YJBOKZPZSA-N	1	1	416.547	1.380	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)NCC(C)(C)[NH+]3CCN(C)CC3)nn2)cc1	ZINC000674858949	1074594784	/nfs/dbraw/zinc/59/47/84/1074594784.db2.gz	DFZHQTNGPGJNRC-UHFFFAOYSA-N	1	1	401.515	1.101	20	0		HDADMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC001128871524	1074612089	/nfs/dbraw/zinc/61/20/89/1074612089.db2.gz	PGORYSSGMSNISC-HRAATJIYSA-N	1	1	402.495	1.405	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1	ZINC000674917484	1074614109	/nfs/dbraw/zinc/61/41/09/1074614109.db2.gz	KTKPFSOCSRRZBC-SFTDATJTSA-N	1	1	402.539	1.523	20	0		HDADMO
COC(=O)c1ccc(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)c(F)c1	ZINC000737145716	1074621233	/nfs/dbraw/zinc/62/12/33/1074621233.db2.gz	LXSVKNTVSMHVGD-UHFFFAOYSA-N	1	1	411.393	1.756	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)C2)cc(OC)c1	ZINC000674985355	1074660669	/nfs/dbraw/zinc/66/06/69/1074660669.db2.gz	IIBQWFVYHHEUMK-IOMROCGXSA-N	1	1	419.522	1.868	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)C2)cc(OC)c1	ZINC000674985355	1074660670	/nfs/dbraw/zinc/66/06/70/1074660670.db2.gz	IIBQWFVYHHEUMK-IOMROCGXSA-N	1	1	419.522	1.868	20	0		HDADMO
O=C(CCc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1	ZINC000674997879	1074674653	/nfs/dbraw/zinc/67/46/53/1074674653.db2.gz	RLHKTBTZQGPOPQ-SFTDATJTSA-N	1	1	414.550	1.726	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1	ZINC000674997677	1074675045	/nfs/dbraw/zinc/67/50/45/1074675045.db2.gz	PFLBRPCSYXFPKV-RTBURBONSA-N	1	1	401.555	1.695	20	0		HDADMO
CCn1c(CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)nc2ccccc21	ZINC000785480586	1074682521	/nfs/dbraw/zinc/68/25/21/1074682521.db2.gz	ZCSRNIYAGWNPLL-INIZCTEOSA-N	1	1	401.511	1.290	20	0		HDADMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C[C@H]2CCCC(=O)N2)CC1	ZINC001128931226	1074693281	/nfs/dbraw/zinc/69/32/81/1074693281.db2.gz	KAEJQUSPLNDQFN-CYBMUJFWSA-N	1	1	410.316	1.593	20	0		HDADMO
COC(=O)C1CC[NH+](CCCNc2ncnc3ccc(S(C)(=O)=O)cc32)CC1	ZINC000617939232	1074694210	/nfs/dbraw/zinc/69/42/10/1074694210.db2.gz	JMWBNBAZHGQWHY-UHFFFAOYSA-N	1	1	406.508	1.720	20	0		HDADMO
Cn1ccc(CCC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)n1	ZINC001128932497	1074694159	/nfs/dbraw/zinc/69/41/59/1074694159.db2.gz	UNLPAXWLQUXTBX-UHFFFAOYSA-N	1	1	407.316	1.901	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)nn1C1CCCCC1	ZINC000577548998	1074698861	/nfs/dbraw/zinc/69/88/61/1074698861.db2.gz	UJLJVPNJXWEMIU-UHFFFAOYSA-N	1	1	405.543	1.940	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O	ZINC000675098235	1074709999	/nfs/dbraw/zinc/70/99/99/1074709999.db2.gz	WHDJTQXCKCITAD-RTBURBONSA-N	1	1	413.522	1.229	20	0		HDADMO
CC[C@@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)[N@H+]1CCc2ccccc2C1	ZINC000675088034	1074711469	/nfs/dbraw/zinc/71/14/69/1074711469.db2.gz	VWFZZSUBPAZJOU-RBUKOAKNSA-N	1	1	413.522	1.501	20	0		HDADMO
COCCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000675112712	1074717547	/nfs/dbraw/zinc/71/75/47/1074717547.db2.gz	SLOZODRAYHMGDI-PXNSSMCTSA-N	1	1	402.539	1.834	20	0		HDADMO
COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1	ZINC000737173284	1074717602	/nfs/dbraw/zinc/71/76/02/1074717602.db2.gz	FQKMROIYLKUDJJ-YJBOKZPZSA-N	1	1	418.494	1.365	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1	ZINC000675106248	1074721670	/nfs/dbraw/zinc/72/16/70/1074721670.db2.gz	PNIFNAYLEMCVJX-HBXLWWENSA-N	1	1	410.522	1.876	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)s1	ZINC000438317150	1074722958	/nfs/dbraw/zinc/72/29/58/1074722958.db2.gz	QYPXCXWJMCMNMO-UHFFFAOYSA-N	1	1	404.496	2.138	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CCN2C1=O	ZINC000675108611	1074723371	/nfs/dbraw/zinc/72/33/71/1074723371.db2.gz	BQAHGTRYTTXRRF-KBXCAEBGSA-N	1	1	410.478	1.920	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)Nc1ncn(Cc2ccccc2)n1	ZINC000588252789	1074725691	/nfs/dbraw/zinc/72/56/91/1074725691.db2.gz	XKPUGDIJAYNIRG-UHFFFAOYSA-N	1	1	420.521	2.055	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1COc2c1cccc2Cl	ZINC000675118790	1074727042	/nfs/dbraw/zinc/72/70/42/1074727042.db2.gz	WZUSTNDPXCDEFO-DLBZAZTESA-N	1	1	407.898	1.603	20	0		HDADMO
C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[N@H+]1CCCC[C@H]1C	ZINC000543615343	1074738287	/nfs/dbraw/zinc/73/82/87/1074738287.db2.gz	YMVJEKNXKABUBJ-SJORKVTESA-N	1	1	402.543	1.854	20	0		HDADMO
Cc1cc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(C)n1CC(F)(F)F	ZINC000675143852	1074742652	/nfs/dbraw/zinc/74/26/52/1074742652.db2.gz	FUOKHVNIBIFOGV-CQSZACIVSA-N	1	1	409.474	1.858	20	0		HDADMO
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675189831	1074752099	/nfs/dbraw/zinc/75/20/99/1074752099.db2.gz	DCECIUAHWLMGNH-DOTOQJQBSA-N	1	1	408.493	2.000	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000543615590	1074753997	/nfs/dbraw/zinc/75/39/97/1074753997.db2.gz	ZVOPCSGIRPBDOE-DLBZAZTESA-N	1	1	402.543	1.711	20	0		HDADMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1	ZINC000543615592	1074754113	/nfs/dbraw/zinc/75/41/13/1074754113.db2.gz	ZVOPCSGIRPBDOE-IRXDYDNUSA-N	1	1	402.543	1.711	20	0		HDADMO
CN(CCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21	ZINC000766096065	1074754700	/nfs/dbraw/zinc/75/47/00/1074754700.db2.gz	GDOQJRUAHIAENQ-AEFFLSMTSA-N	1	1	418.563	1.790	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1	ZINC000670496942	1074756580	/nfs/dbraw/zinc/75/65/80/1074756580.db2.gz	NRQCPAVOVODVPD-UHFFFAOYSA-N	1	1	402.322	1.567	20	0		HDADMO
Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)CC2	ZINC000675209109	1074757365	/nfs/dbraw/zinc/75/73/65/1074757365.db2.gz	OGOUAYUKZIAGQE-CYBMUJFWSA-N	1	1	413.444	1.141	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)no1	ZINC000590281879	1074760960	/nfs/dbraw/zinc/76/09/60/1074760960.db2.gz	GAYDFIMJGGKECV-UHFFFAOYSA-N	1	1	416.478	1.728	20	0		HDADMO
C[N@@H+](Cc1cn2cc(Br)ccc2n1)C1CCN(S(C)(=O)=O)CC1	ZINC000675251912	1074769224	/nfs/dbraw/zinc/76/92/24/1074769224.db2.gz	VSURKSKTVOMJLT-UHFFFAOYSA-N	1	1	401.330	1.953	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000675252136	1074769425	/nfs/dbraw/zinc/76/94/25/1074769425.db2.gz	SZWBPZYRZGPWEM-BFUOFWGJSA-N	1	1	417.535	1.491	20	0		HDADMO
Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000675252136	1074769437	/nfs/dbraw/zinc/76/94/37/1074769437.db2.gz	SZWBPZYRZGPWEM-BFUOFWGJSA-N	1	1	417.535	1.491	20	0		HDADMO
COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000429326478	1074777214	/nfs/dbraw/zinc/77/72/14/1074777214.db2.gz	DLHQYYIYAPNWOB-LLVKDONJSA-N	1	1	400.273	1.766	20	0		HDADMO
COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000429326478	1074777221	/nfs/dbraw/zinc/77/72/21/1074777221.db2.gz	DLHQYYIYAPNWOB-LLVKDONJSA-N	1	1	400.273	1.766	20	0		HDADMO
CCC(CC)(CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1)OC	ZINC000572863136	1074778972	/nfs/dbraw/zinc/77/89/72/1074778972.db2.gz	PBMUGQHTQKYKNE-UHFFFAOYSA-N	1	1	418.498	1.607	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)nn1-c1ccc(F)cc1F	ZINC000580495123	1074779035	/nfs/dbraw/zinc/77/90/35/1074779035.db2.gz	RCNLNUNKAFMDIJ-ZBEGNZNMSA-N	1	1	403.433	1.996	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1	ZINC000675280594	1074785714	/nfs/dbraw/zinc/78/57/14/1074785714.db2.gz	JWIYDIHYQNMNPU-GOSISDBHSA-N	1	1	409.552	1.213	20	0		HDADMO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000477092943	1074791391	/nfs/dbraw/zinc/79/13/91/1074791391.db2.gz	DDBTZSLMZBTSFX-IAGOWNOFSA-N	1	1	421.561	1.601	20	0		HDADMO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000477092951	1074791848	/nfs/dbraw/zinc/79/18/48/1074791848.db2.gz	DDBTZSLMZBTSFX-SJORKVTESA-N	1	1	421.561	1.601	20	0		HDADMO
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000675304716	1074794146	/nfs/dbraw/zinc/79/41/46/1074794146.db2.gz	KRYVTTBYBSPGEN-VYDXJSESSA-N	1	1	404.898	1.305	20	0		HDADMO
COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1	ZINC000670510576	1075094170	/nfs/dbraw/zinc/09/41/70/1075094170.db2.gz	QAVHIMZDBSOICW-UWJYYQICSA-N	1	1	416.566	1.795	20	0		HDADMO
CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1OC	ZINC000671674985	1075099088	/nfs/dbraw/zinc/09/90/88/1075099088.db2.gz	OOZGYCJAUCVSQZ-ZDUSSCGKSA-N	1	1	401.916	1.471	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1	ZINC000429334097	1075099139	/nfs/dbraw/zinc/09/91/39/1075099139.db2.gz	SIWBVCINADFPIF-UHFFFAOYSA-N	1	1	415.560	1.248	20	0		HDADMO
CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000546585147	1075102029	/nfs/dbraw/zinc/10/20/29/1075102029.db2.gz	FIXQXWFNKHZZMX-ZBFHGGJFSA-N	1	1	404.471	2.196	20	0		HDADMO
CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000546585147	1075102034	/nfs/dbraw/zinc/10/20/34/1075102034.db2.gz	FIXQXWFNKHZZMX-ZBFHGGJFSA-N	1	1	404.471	2.196	20	0		HDADMO
COc1ncnc(N(C)C)c1NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000429335746	1075105470	/nfs/dbraw/zinc/10/54/70/1075105470.db2.gz	ZBWZYBAMEDVJRY-OAQYLSRUSA-N	1	1	414.510	1.652	20	0		HDADMO
Cc1cc(NC(=O)CN2CCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)CC2)no1	ZINC000519015074	1075109428	/nfs/dbraw/zinc/10/94/28/1075109428.db2.gz	FRNSHRCXQMRXRG-INIZCTEOSA-N	1	1	420.558	1.759	20	0		HDADMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NCc1ccc(Cl)nc1	ZINC000785479172	1075115577	/nfs/dbraw/zinc/11/55/77/1075115577.db2.gz	HJJZKOWIJFTYHW-UHFFFAOYSA-N	1	1	402.882	1.500	20	0		HDADMO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1	ZINC000670513002	1075116020	/nfs/dbraw/zinc/11/60/20/1075116020.db2.gz	DHVAHIPNWPGOJH-AWEZNQCLSA-N	1	1	415.456	1.668	20	0		HDADMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1	ZINC000670513002	1075116026	/nfs/dbraw/zinc/11/60/26/1075116026.db2.gz	DHVAHIPNWPGOJH-AWEZNQCLSA-N	1	1	415.456	1.668	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]21	ZINC001299295607	1075124360	/nfs/dbraw/zinc/12/43/60/1075124360.db2.gz	GIDLWMPDKBJOOQ-ROUUACIJSA-N	1	1	404.540	1.194	20	0		HDADMO
CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]21	ZINC001299295607	1075124363	/nfs/dbraw/zinc/12/43/63/1075124363.db2.gz	GIDLWMPDKBJOOQ-ROUUACIJSA-N	1	1	404.540	1.194	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)no1	ZINC000560251723	1075126738	/nfs/dbraw/zinc/12/67/38/1075126738.db2.gz	UUFJVSPXCGJLSK-KRWDZBQOSA-N	1	1	402.520	2.040	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)no1	ZINC000560251723	1075126745	/nfs/dbraw/zinc/12/67/45/1075126745.db2.gz	UUFJVSPXCGJLSK-KRWDZBQOSA-N	1	1	402.520	2.040	20	0		HDADMO
C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1	ZINC000675405275	1075129272	/nfs/dbraw/zinc/12/92/72/1075129272.db2.gz	YYCMOZZWKGWBCX-HKUYNNGSSA-N	1	1	413.522	1.784	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@H+]1Cc1ccccc1	ZINC000466676530	1075129597	/nfs/dbraw/zinc/12/95/97/1075129597.db2.gz	AYWZQJJLUYTNEZ-MAUKXSAKSA-N	1	1	405.462	1.380	20	0		HDADMO
C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1	ZINC000675405756	1075130558	/nfs/dbraw/zinc/13/05/58/1075130558.db2.gz	GOOUYAATCLHLMA-QZTJIDSGSA-N	1	1	411.506	1.612	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)C[C@@H]3CCOC3)cc2)CC1	ZINC000675406069	1075130656	/nfs/dbraw/zinc/13/06/56/1075130656.db2.gz	ASCHKROQFFRARC-SJORKVTESA-N	1	1	416.522	1.334	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1F	ZINC000429345054	1075146356	/nfs/dbraw/zinc/14/63/56/1075146356.db2.gz	BJXVYKVVFUULBB-KGLIPLIRSA-N	1	1	424.473	1.037	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1F	ZINC000429345054	1075146358	/nfs/dbraw/zinc/14/63/58/1075146358.db2.gz	BJXVYKVVFUULBB-KGLIPLIRSA-N	1	1	424.473	1.037	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000496014093	1075147950	/nfs/dbraw/zinc/14/79/50/1075147950.db2.gz	PNUKCTFTLNDOHJ-HKUYNNGSSA-N	1	1	413.522	1.885	20	0		HDADMO
Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000670526990	1075154317	/nfs/dbraw/zinc/15/43/17/1075154317.db2.gz	BGNGKZQTLSUYLP-GOSISDBHSA-N	1	1	417.554	1.277	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)C[C@H](C)O1	ZINC000485860025	1075157908	/nfs/dbraw/zinc/15/79/08/1075157908.db2.gz	BHPUOSDYXRIDPG-XQQFMLRXSA-N	1	1	409.478	1.149	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1-n1cnnn1	ZINC000466679335	1075158926	/nfs/dbraw/zinc/15/89/26/1075158926.db2.gz	BDJUEURVADNWCF-LPHOPBHVSA-N	1	1	419.489	1.688	20	0		HDADMO
COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1-n1nnnc1C1CC1	ZINC000429349766	1075162497	/nfs/dbraw/zinc/16/24/97/1075162497.db2.gz	NVJHEMFEIGJKAO-CYBMUJFWSA-N	1	1	401.471	1.079	20	0		HDADMO
COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1-n1nnnc1C1CC1	ZINC000429349766	1075162501	/nfs/dbraw/zinc/16/25/01/1075162501.db2.gz	NVJHEMFEIGJKAO-CYBMUJFWSA-N	1	1	401.471	1.079	20	0		HDADMO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccccc2O1	ZINC000675469200	1075163698	/nfs/dbraw/zinc/16/36/98/1075163698.db2.gz	HNVFJTYCKSTIJJ-AWEZNQCLSA-N	1	1	410.517	1.608	20	0		HDADMO
CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC001299295685	1075164616	/nfs/dbraw/zinc/16/46/16/1075164616.db2.gz	IIHOOXJIPJVWNB-RDJZCZTQSA-N	1	1	410.588	1.404	20	0		HDADMO
CS(=O)(=O)C1CCN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1	ZINC000675479899	1075170218	/nfs/dbraw/zinc/17/02/18/1075170218.db2.gz	DXLUXYBYNLYJID-UHFFFAOYSA-N	1	1	422.595	1.413	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1	ZINC000675481427	1075171359	/nfs/dbraw/zinc/17/13/59/1075171359.db2.gz	FCYPARRWHKUXMQ-HNNXBMFYSA-N	1	1	415.460	1.947	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1	ZINC000675481427	1075171364	/nfs/dbraw/zinc/17/13/64/1075171364.db2.gz	FCYPARRWHKUXMQ-HNNXBMFYSA-N	1	1	415.460	1.947	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1	ZINC000537439463	1075171498	/nfs/dbraw/zinc/17/14/98/1075171498.db2.gz	JQSPSZOCIUKIPY-SFHVURJKSA-N	1	1	413.522	1.963	20	0		HDADMO
CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccn1	ZINC000766148392	1075174966	/nfs/dbraw/zinc/17/49/66/1075174966.db2.gz	NRLFXJXHCBKVBB-ZWKOTPCHSA-N	1	1	404.511	1.778	20	0		HDADMO
Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000509344886	1075178029	/nfs/dbraw/zinc/17/80/29/1075178029.db2.gz	VIIFVKIIMDJXSZ-ZDUSSCGKSA-N	1	1	406.533	1.947	20	0		HDADMO
CC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675517610	1075184332	/nfs/dbraw/zinc/18/43/32/1075184332.db2.gz	NIPUQDSVTQFHAI-ROUUACIJSA-N	1	1	411.568	1.500	20	0		HDADMO
CC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675517610	1075184334	/nfs/dbraw/zinc/18/43/34/1075184334.db2.gz	NIPUQDSVTQFHAI-ROUUACIJSA-N	1	1	411.568	1.500	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446861406	1075187310	/nfs/dbraw/zinc/18/73/10/1075187310.db2.gz	LGICKNRKONKSKO-MRXNPFEDSA-N	1	1	423.439	2.507	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn([C@@H](C)COC)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446847165	1075188088	/nfs/dbraw/zinc/18/80/88/1075188088.db2.gz	JGJWAHSAAGFYHU-PKOBYXMFSA-N	1	1	413.522	2.152	20	0		HDADMO
Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1	ZINC000466684766	1075195750	/nfs/dbraw/zinc/19/57/50/1075195750.db2.gz	UPYVGAFUBPWEOO-KXBFYZLASA-N	1	1	419.489	1.688	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466685140	1075201458	/nfs/dbraw/zinc/20/14/58/1075201458.db2.gz	WBEOGFZTYONOPX-MAUKXSAKSA-N	1	1	415.515	1.808	20	0		HDADMO
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)no1	ZINC000448253607	1075202328	/nfs/dbraw/zinc/20/23/28/1075202328.db2.gz	XQPRWSMZCMDXEF-CQSZACIVSA-N	1	1	405.524	2.258	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2	ZINC000675549443	1075206217	/nfs/dbraw/zinc/20/62/17/1075206217.db2.gz	LFDGVDXLSGSSPU-UHFFFAOYSA-N	1	1	403.479	1.043	20	0		HDADMO
Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(-c2ccccn2)n1	ZINC000675581749	1075212636	/nfs/dbraw/zinc/21/26/36/1075212636.db2.gz	IQGSRZVDNSUWSK-GOSISDBHSA-N	1	1	412.494	1.134	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1	ZINC000675583219	1075212907	/nfs/dbraw/zinc/21/29/07/1075212907.db2.gz	GIPQQWIOPWNTGN-UHFFFAOYSA-N	1	1	406.531	1.092	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)n1	ZINC000447474426	1075219826	/nfs/dbraw/zinc/21/98/26/1075219826.db2.gz	WFXSGRRESCCTMS-OAHLLOKOSA-N	1	1	401.467	1.802	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[N@H+]1Cc1ccccc1	ZINC000466689133	1075221853	/nfs/dbraw/zinc/22/18/53/1075221853.db2.gz	KJVSBIHNEAXESC-YJBOKZPZSA-N	1	1	405.462	1.380	20	0		HDADMO
CN(C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675606091	1075222639	/nfs/dbraw/zinc/22/26/39/1075222639.db2.gz	VACWVDOOIMCINU-GMAHTHKFSA-N	1	1	414.594	1.811	20	0		HDADMO
CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1	ZINC000466690895	1075227663	/nfs/dbraw/zinc/22/76/63/1075227663.db2.gz	SCYRQCCODKUOBA-CRAIPNDOSA-N	1	1	424.501	1.773	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2)CCO1	ZINC000675588828	1075228044	/nfs/dbraw/zinc/22/80/44/1075228044.db2.gz	CRCJHZAVBWYVIQ-MRXNPFEDSA-N	1	1	411.506	1.769	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2)CCO1	ZINC000675588828	1075228049	/nfs/dbraw/zinc/22/80/49/1075228049.db2.gz	CRCJHZAVBWYVIQ-MRXNPFEDSA-N	1	1	411.506	1.769	20	0		HDADMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C[C@@H]1C	ZINC000446794888	1075236372	/nfs/dbraw/zinc/23/63/72/1075236372.db2.gz	FCHZIDDDAZFGDP-LSDHHAIUSA-N	1	1	402.474	1.985	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)[C@@H](C)C1	ZINC000441046131	1075237301	/nfs/dbraw/zinc/23/73/01/1075237301.db2.gz	ACYVVFKYEGVTRN-LPHOPBHVSA-N	1	1	413.522	2.067	20	0		HDADMO
CC[N@@H+]1CCc2nc(NC(=O)CNC(=O)c3ccc(OC)c(OC)c3)sc2C1	ZINC000021295835	1075237693	/nfs/dbraw/zinc/23/76/93/1075237693.db2.gz	BOGGVRMHLSBOQE-UHFFFAOYSA-N	1	1	404.492	1.907	20	0		HDADMO
CC[N@H+]1CCc2nc(NC(=O)CNC(=O)c3ccc(OC)c(OC)c3)sc2C1	ZINC000021295835	1075237695	/nfs/dbraw/zinc/23/76/95/1075237695.db2.gz	BOGGVRMHLSBOQE-UHFFFAOYSA-N	1	1	404.492	1.907	20	0		HDADMO
C[C@H](CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[N@@H+](C)Cc1ccccc1	ZINC000429366488	1075238615	/nfs/dbraw/zinc/23/86/15/1075238615.db2.gz	SADNBBYCPWCXQY-CQSZACIVSA-N	1	1	410.478	2.019	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1	ZINC000675601176	1075238662	/nfs/dbraw/zinc/23/86/62/1075238662.db2.gz	BBYPYVPSYCJXIR-UHFFFAOYSA-N	1	1	410.478	1.258	20	0		HDADMO
Cn1cnnc1C1CC[NH+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC1	ZINC000509357866	1075242725	/nfs/dbraw/zinc/24/27/25/1075242725.db2.gz	MEXRDVYBMAWQQV-UHFFFAOYSA-N	1	1	405.524	1.216	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000426928062	1075243122	/nfs/dbraw/zinc/24/31/22/1075243122.db2.gz	XHTMINNNVQCRBI-HKUYNNGSSA-N	1	1	413.522	2.152	20	0		HDADMO
NC(=O)c1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1	ZINC000675650496	1075247460	/nfs/dbraw/zinc/24/74/60/1075247460.db2.gz	FWSGXBKFBWFRTK-ILZDJORESA-N	1	1	415.538	1.307	20	0		HDADMO
CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675653193	1075247772	/nfs/dbraw/zinc/24/77/72/1075247772.db2.gz	QGPZDCVYBMBBGH-LJQANCHMSA-N	1	1	412.538	1.625	20	0		HDADMO
CO[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1Cl	ZINC000675685426	1075254354	/nfs/dbraw/zinc/25/43/54/1075254354.db2.gz	WFIVBPPSDZSEEH-OALUTQOASA-N	1	1	423.941	1.857	20	0		HDADMO
CO[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1Cl	ZINC000675685427	1075254376	/nfs/dbraw/zinc/25/43/76/1075254376.db2.gz	WFIVBPPSDZSEEH-RBUKOAKNSA-N	1	1	423.941	1.857	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nc3c(s2)COCC3)C[N@H+]1Cc1ccccc1	ZINC000466695358	1075261929	/nfs/dbraw/zinc/26/19/29/1075261929.db2.gz	ITGGJMAEPMMKRI-HIFRSBDPSA-N	1	1	400.504	1.934	20	0		HDADMO
Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c1	ZINC000429374362	1075262539	/nfs/dbraw/zinc/26/25/39/1075262539.db2.gz	VGGUGVFRUFIHFC-CQSZACIVSA-N	1	1	401.490	1.855	20	0		HDADMO
Cc1ccc(-c2nc(SCC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)n[nH]2)cc1	ZINC000675784797	1075271263	/nfs/dbraw/zinc/27/12/63/1075271263.db2.gz	BAYAQKJJPYYZJV-SJORKVTESA-N	1	1	401.536	1.930	20	0		HDADMO
O=C(CSc1nccc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675799853	1075272864	/nfs/dbraw/zinc/27/28/64/1075272864.db2.gz	OYHBHWKIKAMPJF-SFHVURJKSA-N	1	1	400.548	1.850	20	0		HDADMO
C[N@H+](CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC(O)C1	ZINC000546801841	1075274835	/nfs/dbraw/zinc/27/48/35/1075274835.db2.gz	UIMIQHPAASMWPJ-UHFFFAOYSA-N	1	1	406.836	1.858	20	0		HDADMO
C[N@@H+](CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC(O)C1	ZINC000546801841	1075274838	/nfs/dbraw/zinc/27/48/38/1075274838.db2.gz	UIMIQHPAASMWPJ-UHFFFAOYSA-N	1	1	406.836	1.858	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)Nc3cccc4c3CCO4)n2)c1C	ZINC000484888296	1075281116	/nfs/dbraw/zinc/28/11/16/1075281116.db2.gz	RTIIOSCJKNLCDU-UHFFFAOYSA-N	1	1	422.445	1.859	20	0		HDADMO
O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCC[N@H+]2CCCOCC2)nc1	ZINC000445661140	1075282567	/nfs/dbraw/zinc/28/25/67/1075282567.db2.gz	AZASFSHZYHQRGT-UHFFFAOYSA-N	1	1	412.462	2.295	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000503498954	1075284259	/nfs/dbraw/zinc/28/42/59/1075284259.db2.gz	PNPVULJGZFECNK-ROUUACIJSA-N	1	1	411.506	1.981	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000503498952	1075284287	/nfs/dbraw/zinc/28/42/87/1075284287.db2.gz	PNPVULJGZFECNK-MSOLQXFVSA-N	1	1	411.506	1.981	20	0		HDADMO
COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429382049	1075286503	/nfs/dbraw/zinc/28/65/03/1075286503.db2.gz	IMAQEIIRRNVGPQ-CQSZACIVSA-N	1	1	410.540	1.087	20	0		HDADMO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000429381977	1075287057	/nfs/dbraw/zinc/28/70/57/1075287057.db2.gz	OCFGMPCLVAOIBM-DLBZAZTESA-N	1	1	422.595	1.187	20	0		HDADMO
CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](n2ccnn2)C1	ZINC001129122902	1075290853	/nfs/dbraw/zinc/29/08/53/1075290853.db2.gz	XFIZDCREQVVYKM-VZBRCKSCSA-N	1	1	403.527	1.418	20	0		HDADMO
CN1CCN(c2cccc(Cl)c2C[NH2+]C2CCN(S(C)(=O)=O)CC2)CC1	ZINC000675918428	1075291533	/nfs/dbraw/zinc/29/15/33/1075291533.db2.gz	HYPSCJNVTAOVRA-UHFFFAOYSA-N	1	1	400.976	1.605	20	0		HDADMO
Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccn(-c4ccccc4)n3)CC2)[nH+]c1	ZINC000442053736	1075293534	/nfs/dbraw/zinc/29/35/34/1075293534.db2.gz	IVXUJGARUPVSCJ-UHFFFAOYSA-N	1	1	404.474	2.299	20	0		HDADMO
COCCOCc1cccc(NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1	ZINC000675939059	1075300989	/nfs/dbraw/zinc/30/09/89/1075300989.db2.gz	QTPPYDXRRTVYID-UHFFFAOYSA-N	1	1	412.490	1.840	20	0		HDADMO
CCC1(CC)NC(=O)N(CC(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1=O	ZINC000731300746	1075302464	/nfs/dbraw/zinc/30/24/64/1075302464.db2.gz	STCNFCKKVNZBAL-HNNXBMFYSA-N	1	1	403.483	1.716	20	0		HDADMO
OC[C@@H](CNc1cc(NC[C@@H](CO)[C@@H]2CCOC2)[nH+]c2cnccc12)[C@@H]1CCOC1	ZINC000557662501	1075303875	/nfs/dbraw/zinc/30/38/75/1075303875.db2.gz	JJGPDMOOKXESHT-TVFCKZIOSA-N	1	1	416.522	1.744	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[nH+]c1	ZINC000547789452	1075304882	/nfs/dbraw/zinc/30/48/82/1075304882.db2.gz	QVCLYFGNKZPYPB-MRXNPFEDSA-N	1	1	419.551	2.503	20	0		HDADMO
Cc1cc(N2CCC[C@H](OC(=O)CCNS(=O)(=O)c3cccnc3)C2)nc(C)[nH+]1	ZINC000731297716	1075306589	/nfs/dbraw/zinc/30/65/89/1075306589.db2.gz	ZMHKMVJOZGRHIL-INIZCTEOSA-N	1	1	419.507	1.369	20	0		HDADMO
COc1ccccc1C(C)(C)CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000675967800	1075311267	/nfs/dbraw/zinc/31/12/67/1075311267.db2.gz	IPPBDEUUFXNYFL-GOSISDBHSA-N	1	1	402.539	1.921	20	0		HDADMO
CO[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1Cl	ZINC000676004189	1075322333	/nfs/dbraw/zinc/32/23/33/1075322333.db2.gz	RMAZOKXARBQCKD-ZWKOTPCHSA-N	1	1	408.930	1.976	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(Nc3cc[nH+]c(N4CCOCC4)n3)CC2)cc1	ZINC000498841188	1075325167	/nfs/dbraw/zinc/32/51/67/1075325167.db2.gz	AIVKVJPBMHFIPR-UHFFFAOYSA-N	1	1	417.535	1.887	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(O)CCCc2ccccc21	ZINC000731404345	1075331197	/nfs/dbraw/zinc/33/11/97/1075331197.db2.gz	ARYNTAZETRDGIN-KNQAVFIVSA-N	1	1	402.539	1.452	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1	ZINC000509378438	1075338336	/nfs/dbraw/zinc/33/83/36/1075338336.db2.gz	JRHGHPGNRZZWMK-QUCCMNQESA-N	1	1	423.602	1.118	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H]1C=CCCC1	ZINC000466710165	1075342576	/nfs/dbraw/zinc/34/25/76/1075342576.db2.gz	KIEKVDVIFAQSMY-INIZCTEOSA-N	1	1	400.479	1.246	20	0		HDADMO
CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1	ZINC000676075733	1075343374	/nfs/dbraw/zinc/34/33/74/1075343374.db2.gz	PFBLRQJAZQNPCM-OTWHNJEPSA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1	ZINC000676075733	1075343377	/nfs/dbraw/zinc/34/33/77/1075343377.db2.gz	PFBLRQJAZQNPCM-OTWHNJEPSA-N	1	1	404.621	1.374	20	0		HDADMO
CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1	ZINC000676075733	1075343382	/nfs/dbraw/zinc/34/33/82/1075343382.db2.gz	PFBLRQJAZQNPCM-OTWHNJEPSA-N	1	1	404.621	1.374	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000804083725	1075354709	/nfs/dbraw/zinc/35/47/09/1075354709.db2.gz	FAXKPMBCAROLIC-HNNXBMFYSA-N	1	1	401.429	1.716	20	0		HDADMO
CCO[C@@H]1C[C@H](Nc2nc(N[C@@H]3C[C@H](OCC)[C@@H]3OC)[nH+]c3c2SCC3)[C@@H]1OC	ZINC000579575086	1075354990	/nfs/dbraw/zinc/35/49/90/1075354990.db2.gz	OCHSGDLUBJVDTB-QEOLJSOUSA-N	1	1	424.567	2.333	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cn1	ZINC000676094378	1075356251	/nfs/dbraw/zinc/35/62/51/1075356251.db2.gz	VMOKRCOXXNHMBG-HXUWFJFHSA-N	1	1	412.538	1.727	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466711161	1075357018	/nfs/dbraw/zinc/35/70/18/1075357018.db2.gz	RNFIIVMISOCZNJ-QAPCUYQASA-N	1	1	405.462	1.380	20	0		HDADMO
CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000731470186	1075358442	/nfs/dbraw/zinc/35/84/42/1075358442.db2.gz	SJAQJTAXZIDBKL-OAHLLOKOSA-N	1	1	409.533	1.276	20	0		HDADMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1	ZINC000731484699	1075366699	/nfs/dbraw/zinc/36/66/99/1075366699.db2.gz	PQKXDZAYWJMOLM-CYBMUJFWSA-N	1	1	400.460	1.723	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)C(=O)NCC(C)(C)N2CCc3ccccc3C2)cn1	ZINC000676089201	1075373254	/nfs/dbraw/zinc/37/32/54/1075373254.db2.gz	HZIXIVCHEZNPRE-UHFFFAOYSA-N	1	1	412.538	1.336	20	0		HDADMO
COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)cc1	ZINC000498219548	1075373426	/nfs/dbraw/zinc/37/34/26/1075373426.db2.gz	SANJSKFNQOIHAE-UHFFFAOYSA-N	1	1	411.506	1.901	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)cc1	ZINC000498219548	1075373433	/nfs/dbraw/zinc/37/34/33/1075373433.db2.gz	SANJSKFNQOIHAE-UHFFFAOYSA-N	1	1	411.506	1.901	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731530464	1075377071	/nfs/dbraw/zinc/37/70/71/1075377071.db2.gz	BYJWLDQRNNAYEM-IAGOWNOFSA-N	1	1	418.494	1.853	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000731530464	1075377078	/nfs/dbraw/zinc/37/70/78/1075377078.db2.gz	BYJWLDQRNNAYEM-IAGOWNOFSA-N	1	1	418.494	1.853	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)C1	ZINC000804088923	1075379496	/nfs/dbraw/zinc/37/94/96/1075379496.db2.gz	FIXWELGRJAZWQU-HUUCEWRRSA-N	1	1	414.572	1.104	20	0		HDADMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1	ZINC000804088390	1075379874	/nfs/dbraw/zinc/37/98/74/1075379874.db2.gz	MIBBWSCYSYCTET-ZJPYXAASSA-N	1	1	422.570	1.881	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[N@H+]1C1CC1	ZINC000804088255	1075380304	/nfs/dbraw/zinc/38/03/04/1075380304.db2.gz	BIZQUHKIQZONGC-QXSJWSMHSA-N	1	1	408.543	1.680	20	0		HDADMO
CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCC[N@@H+](C[C@H]3CCCO3)CC1)C2=O	ZINC000676113484	1075387007	/nfs/dbraw/zinc/38/70/07/1075387007.db2.gz	SFTJFGWEROMSIA-VGOFRKELSA-N	1	1	420.554	1.591	20	0		HDADMO
COc1cccc(CCC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001035451078	1075387546	/nfs/dbraw/zinc/38/75/46/1075387546.db2.gz	BGWBWGJTOHXION-BTOHRNCKSA-N	1	1	400.519	1.868	20	0		HDADMO
COc1cccc(CCC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1	ZINC001035451078	1075387557	/nfs/dbraw/zinc/38/75/57/1075387557.db2.gz	BGWBWGJTOHXION-BTOHRNCKSA-N	1	1	400.519	1.868	20	0		HDADMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804091321	1075389573	/nfs/dbraw/zinc/38/95/73/1075389573.db2.gz	YJQOESXEAHQRIP-DLBZAZTESA-N	1	1	421.542	1.992	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1	ZINC000804091087	1075390005	/nfs/dbraw/zinc/39/00/05/1075390005.db2.gz	WFFAGJHNJUYASF-JKSUJKDBSA-N	1	1	410.559	1.929	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)CC2)C1	ZINC000676151909	1075401028	/nfs/dbraw/zinc/40/10/28/1075401028.db2.gz	YKQNZNMNQLIKEB-JTSKRJEESA-N	1	1	419.570	1.116	20	0		HDADMO
O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000676153673	1075403587	/nfs/dbraw/zinc/40/35/87/1075403587.db2.gz	SJHBHRDHKVKCFX-GHTZIAJQSA-N	1	1	410.518	1.958	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]3CCC[C@@H](C)C3)n2)cc1	ZINC000426674502	1075404983	/nfs/dbraw/zinc/40/49/83/1075404983.db2.gz	KDHFDWXSXOVCJR-IAGOWNOFSA-N	1	1	413.522	2.115	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)n2)cc1	ZINC000433843069	1075407447	/nfs/dbraw/zinc/40/74/47/1075407447.db2.gz	RMGMEEOXLQYKQF-UHFFFAOYSA-N	1	1	401.511	2.515	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)n2)cc1	ZINC000433843069	1075407451	/nfs/dbraw/zinc/40/74/51/1075407451.db2.gz	RMGMEEOXLQYKQF-UHFFFAOYSA-N	1	1	401.511	2.515	20	0		HDADMO
CCOc1ccnc(N2CCCN(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)CC2)n1	ZINC000676140164	1075407788	/nfs/dbraw/zinc/40/77/88/1075407788.db2.gz	XHTHRACXHDXSSO-UHFFFAOYSA-N	1	1	419.574	1.123	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)NCCC[N@H+]3CCCO[C@H](C)C3)n2)cc1	ZINC000433112040	1075410266	/nfs/dbraw/zinc/41/02/66/1075410266.db2.gz	ZGDIEDWFGNYZAZ-QGZVFWFLSA-N	1	1	401.511	2.562	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000676178808	1075422795	/nfs/dbraw/zinc/42/27/95/1075422795.db2.gz	USAXUFTZKHGEFZ-OAQYLSRUSA-N	1	1	407.559	1.021	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000676178808	1075422797	/nfs/dbraw/zinc/42/27/97/1075422797.db2.gz	USAXUFTZKHGEFZ-OAQYLSRUSA-N	1	1	407.559	1.021	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000676178808	1075422802	/nfs/dbraw/zinc/42/28/02/1075422802.db2.gz	USAXUFTZKHGEFZ-OAQYLSRUSA-N	1	1	407.559	1.021	20	0		HDADMO
CC(=O)NCCc1ccc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000676203847	1075426241	/nfs/dbraw/zinc/42/62/41/1075426241.db2.gz	NWFZRKZHRSADPO-CALCHBBNSA-N	1	1	411.568	1.533	20	0		HDADMO
CC(=O)NCCc1ccc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000676203847	1075426243	/nfs/dbraw/zinc/42/62/43/1075426243.db2.gz	NWFZRKZHRSADPO-CALCHBBNSA-N	1	1	411.568	1.533	20	0		HDADMO
CCCCn1c2nc(CN3CC[N@H+](C4CCC4)C[C@@H](C)C3)n(C)c2c(=O)[nH]c1=O	ZINC000429404953	1075437057	/nfs/dbraw/zinc/43/70/57/1075437057.db2.gz	HTTGVBKBAKBWJC-HNNXBMFYSA-N	1	1	402.543	1.942	20	0		HDADMO
CC[C@@H](C)n1nc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C	ZINC000539478200	1075442695	/nfs/dbraw/zinc/44/26/95/1075442695.db2.gz	DCFUVADQDXCUOF-OPAMFIHVSA-N	1	1	413.522	1.854	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1	ZINC000676241338	1075443655	/nfs/dbraw/zinc/44/36/55/1075443655.db2.gz	AGRLBAYIDVGGNP-QAPCUYQASA-N	1	1	412.556	1.235	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1	ZINC000676241338	1075443657	/nfs/dbraw/zinc/44/36/57/1075443657.db2.gz	AGRLBAYIDVGGNP-QAPCUYQASA-N	1	1	412.556	1.235	20	0		HDADMO
C[C@@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1	ZINC000676243050	1075444033	/nfs/dbraw/zinc/44/40/33/1075444033.db2.gz	GVVAWQQKJJTSNI-IRLDBZIGSA-N	1	1	417.598	1.603	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676242996	1075444073	/nfs/dbraw/zinc/44/40/73/1075444073.db2.gz	QWUMELSMILAQBL-IPELMVKDSA-N	1	1	410.946	1.732	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676242996	1075444075	/nfs/dbraw/zinc/44/40/75/1075444075.db2.gz	QWUMELSMILAQBL-IPELMVKDSA-N	1	1	410.946	1.732	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676244271	1075446353	/nfs/dbraw/zinc/44/63/53/1075446353.db2.gz	SRHQAWQSUQUYBN-MAUKXSAKSA-N	1	1	412.556	1.234	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676244271	1075446361	/nfs/dbraw/zinc/44/63/61/1075446361.db2.gz	SRHQAWQSUQUYBN-MAUKXSAKSA-N	1	1	412.556	1.234	20	0		HDADMO
C[C@@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676244216	1075446472	/nfs/dbraw/zinc/44/64/72/1075446472.db2.gz	RVKGKECSFMYTMA-DNVCBOLYSA-N	1	1	405.495	1.482	20	0		HDADMO
C[C@@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676244216	1075446474	/nfs/dbraw/zinc/44/64/74/1075446474.db2.gz	RVKGKECSFMYTMA-DNVCBOLYSA-N	1	1	405.495	1.482	20	0		HDADMO
COc1cccc(OC)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001006073334	1075450912	/nfs/dbraw/zinc/45/09/12/1075450912.db2.gz	KUFMCFOYXFIXGX-HHARLNAUSA-N	1	1	401.507	1.906	20	0		HDADMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCNc2ccc(C)c[nH+]2)cc1	ZINC000530773335	1075450941	/nfs/dbraw/zinc/45/09/41/1075450941.db2.gz	FAMGXNQWFOMRQI-HNNXBMFYSA-N	1	1	406.508	1.684	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258231	1075453321	/nfs/dbraw/zinc/45/33/21/1075453321.db2.gz	GCWQXELXCWGVMZ-BXWFABGCSA-N	1	1	409.552	1.699	20	0		HDADMO
C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258231	1075453326	/nfs/dbraw/zinc/45/33/26/1075453326.db2.gz	GCWQXELXCWGVMZ-BXWFABGCSA-N	1	1	409.552	1.699	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676259022	1075454868	/nfs/dbraw/zinc/45/48/68/1075454868.db2.gz	ZUSHVQQPCMRBTD-KDOFPFPSSA-N	1	1	413.540	1.175	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676259022	1075454869	/nfs/dbraw/zinc/45/48/69/1075454869.db2.gz	ZUSHVQQPCMRBTD-KDOFPFPSSA-N	1	1	413.540	1.175	20	0		HDADMO
C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258657	1075455561	/nfs/dbraw/zinc/45/55/61/1075455561.db2.gz	VOBDVMMVDNNPNS-WMLDXEAASA-N	1	1	401.504	1.062	20	0		HDADMO
C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258657	1075455567	/nfs/dbraw/zinc/45/55/67/1075455567.db2.gz	VOBDVMMVDNNPNS-WMLDXEAASA-N	1	1	401.504	1.062	20	0		HDADMO
C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676259215	1075457060	/nfs/dbraw/zinc/45/70/60/1075457060.db2.gz	JGGCJLGMGKEJEX-IAQYHMDHSA-N	1	1	424.295	1.271	20	0		HDADMO
C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676259215	1075457063	/nfs/dbraw/zinc/45/70/63/1075457063.db2.gz	JGGCJLGMGKEJEX-IAQYHMDHSA-N	1	1	424.295	1.271	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259386	1075457097	/nfs/dbraw/zinc/45/70/97/1075457097.db2.gz	LHUJRNZIGCHNIY-MPGHIAIKSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259386	1075457101	/nfs/dbraw/zinc/45/71/01/1075457101.db2.gz	LHUJRNZIGCHNIY-MPGHIAIKSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[N@H+](C)CCO1	ZINC000676260360	1075459266	/nfs/dbraw/zinc/45/92/66/1075459266.db2.gz	CSMPAZVMSZGMGS-DNVCBOLYSA-N	1	1	409.552	1.069	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[N@@H+](C)CCO1	ZINC000676260360	1075459270	/nfs/dbraw/zinc/45/92/70/1075459270.db2.gz	CSMPAZVMSZGMGS-DNVCBOLYSA-N	1	1	409.552	1.069	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)cc2)CC1	ZINC000676261586	1075460633	/nfs/dbraw/zinc/46/06/33/1075460633.db2.gz	WYHHQXFOCDWRSM-LPHOPBHVSA-N	1	1	403.527	1.305	20	0		HDADMO
Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000676262468	1075461667	/nfs/dbraw/zinc/46/16/67/1075461667.db2.gz	ZLSKHVFBZQDZGZ-KGLIPLIRSA-N	1	1	404.536	1.942	20	0		HDADMO
Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000676262468	1075461672	/nfs/dbraw/zinc/46/16/72/1075461672.db2.gz	ZLSKHVFBZQDZGZ-KGLIPLIRSA-N	1	1	404.536	1.942	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676263761	1075462268	/nfs/dbraw/zinc/46/22/68/1075462268.db2.gz	CCRWTZHTCDOOIZ-DOMZBBRYSA-N	1	1	416.519	1.743	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676263761	1075462272	/nfs/dbraw/zinc/46/22/72/1075462272.db2.gz	CCRWTZHTCDOOIZ-DOMZBBRYSA-N	1	1	416.519	1.743	20	0		HDADMO
Cc1c(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000676264185	1075462453	/nfs/dbraw/zinc/46/24/53/1075462453.db2.gz	MTZZFTDIHUBHCC-GDBMZVCRSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1c(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C	ZINC000676264185	1075462457	/nfs/dbraw/zinc/46/24/57/1075462457.db2.gz	MTZZFTDIHUBHCC-GDBMZVCRSA-N	1	1	412.556	1.912	20	0		HDADMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)CC1	ZINC000472899795	1075465367	/nfs/dbraw/zinc/46/53/67/1075465367.db2.gz	KQYGZYLCTYCCBE-PKOBYXMFSA-N	1	1	413.522	1.654	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000429411083	1075466872	/nfs/dbraw/zinc/46/68/72/1075466872.db2.gz	SOYIGRNFWSHVGL-GOSISDBHSA-N	1	1	408.930	1.934	20	0		HDADMO
C[C@H](CCN1CCN(C(=O)N2CCCC2)CC1)[NH+]1CCN(C(=O)N2CCCC2)CC1	ZINC000676249787	1075466779	/nfs/dbraw/zinc/46/67/79/1075466779.db2.gz	ICRCVUAUCORDOO-HXUWFJFHSA-N	1	1	420.602	1.432	20	0		HDADMO
C[C@H](CC[NH+]1CCN(C(=O)N2CCCC2)CC1)N1CCN(C(=O)N2CCCC2)CC1	ZINC000676249787	1075466781	/nfs/dbraw/zinc/46/67/81/1075466781.db2.gz	ICRCVUAUCORDOO-HXUWFJFHSA-N	1	1	420.602	1.432	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731683662	1075468385	/nfs/dbraw/zinc/46/83/85/1075468385.db2.gz	IJDWWFKDPAPEKQ-YLJYHZDGSA-N	1	1	422.595	1.630	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252245	1075469488	/nfs/dbraw/zinc/46/94/88/1075469488.db2.gz	QSRFOZMOOUPHEN-CRAIPNDOSA-N	1	1	408.568	1.548	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252245	1075469492	/nfs/dbraw/zinc/46/94/92/1075469492.db2.gz	QSRFOZMOOUPHEN-CRAIPNDOSA-N	1	1	408.568	1.548	20	0		HDADMO
COc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)ccc1C	ZINC000676252654	1075469930	/nfs/dbraw/zinc/46/99/30/1075469930.db2.gz	RMNGUJIFJLFBCX-QFBILLFUSA-N	1	1	404.511	1.190	20	0		HDADMO
COc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)ccc1C	ZINC000676252654	1075469935	/nfs/dbraw/zinc/46/99/35/1075469935.db2.gz	RMNGUJIFJLFBCX-QFBILLFUSA-N	1	1	404.511	1.190	20	0		HDADMO
COc1ccc(OC)c(CN2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676253299	1075471661	/nfs/dbraw/zinc/47/16/61/1075471661.db2.gz	VOGXCYUKGFKGMQ-OXQOHEQNSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1ccc(OC)c(CN2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676253299	1075471665	/nfs/dbraw/zinc/47/16/65/1075471665.db2.gz	VOGXCYUKGFKGMQ-OXQOHEQNSA-N	1	1	406.527	1.250	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676253418	1075471686	/nfs/dbraw/zinc/47/16/86/1075471686.db2.gz	XSFFDABEHAYIPA-JXFKEZNVSA-N	1	1	413.522	1.283	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676253418	1075471688	/nfs/dbraw/zinc/47/16/88/1075471688.db2.gz	XSFFDABEHAYIPA-JXFKEZNVSA-N	1	1	413.522	1.283	20	0		HDADMO
CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)n1	ZINC000676278125	1075476390	/nfs/dbraw/zinc/47/63/90/1075476390.db2.gz	DODOCSZNKFLWSX-ABAIWWIYSA-N	1	1	421.885	1.726	20	0		HDADMO
CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)n1	ZINC000676278125	1075476394	/nfs/dbraw/zinc/47/63/94/1075476394.db2.gz	DODOCSZNKFLWSX-ABAIWWIYSA-N	1	1	421.885	1.726	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279144	1075478583	/nfs/dbraw/zinc/47/85/83/1075478583.db2.gz	AJHPEXXIQCMKOY-KXBFYZLASA-N	1	1	405.495	1.266	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279144	1075478585	/nfs/dbraw/zinc/47/85/85/1075478585.db2.gz	AJHPEXXIQCMKOY-KXBFYZLASA-N	1	1	405.495	1.266	20	0		HDADMO
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676278768	1075479815	/nfs/dbraw/zinc/47/98/15/1075479815.db2.gz	JPVZHROQWZOQJR-WBVHZDCISA-N	1	1	402.495	1.005	20	0		HDADMO
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278768	1075479820	/nfs/dbraw/zinc/47/98/20/1075479820.db2.gz	JPVZHROQWZOQJR-WBVHZDCISA-N	1	1	402.495	1.005	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278855	1075480465	/nfs/dbraw/zinc/48/04/65/1075480465.db2.gz	LFXIZZSBEJAHIA-GJYPPUQNSA-N	1	1	416.522	1.475	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278855	1075480468	/nfs/dbraw/zinc/48/04/68/1075480468.db2.gz	LFXIZZSBEJAHIA-GJYPPUQNSA-N	1	1	416.522	1.475	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676279752	1075483236	/nfs/dbraw/zinc/48/32/36/1075483236.db2.gz	PUKJYVNGCYPZBW-GXFFZTMASA-N	1	1	409.393	1.448	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279752	1075483240	/nfs/dbraw/zinc/48/32/40/1075483240.db2.gz	PUKJYVNGCYPZBW-GXFFZTMASA-N	1	1	409.393	1.448	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1CN(C)CCO1	ZINC000676279623	1075483943	/nfs/dbraw/zinc/48/39/43/1075483943.db2.gz	PKFQRXUJSYNYRP-VIPLHTEESA-N	1	1	418.538	1.070	20	0		HDADMO
CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CN(C)CCO3)c2C1	ZINC000676280578	1075485974	/nfs/dbraw/zinc/48/59/74/1075485974.db2.gz	JQEFMFREUBUMAX-GUXCAODWSA-N	1	1	402.539	1.821	20	0		HDADMO
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676282065	1075487841	/nfs/dbraw/zinc/48/78/41/1075487841.db2.gz	QSCFNIACZOJMGA-KXBFYZLASA-N	1	1	416.522	1.441	20	0		HDADMO
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282065	1075487846	/nfs/dbraw/zinc/48/78/46/1075487846.db2.gz	QSCFNIACZOJMGA-KXBFYZLASA-N	1	1	416.522	1.441	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CN(C)CCO1	ZINC000676281283	1075489290	/nfs/dbraw/zinc/48/92/90/1075489290.db2.gz	VQLLIKVQWKTJGD-HLIPFELVSA-N	1	1	402.539	1.692	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1NC(=O)C(C)(C)C	ZINC000676283252	1075490345	/nfs/dbraw/zinc/49/03/45/1075490345.db2.gz	YGOCSUNEKRVZPZ-RHSMWYFYSA-N	1	1	404.511	1.753	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1NC(=O)C(C)(C)C	ZINC000676283252	1075490347	/nfs/dbraw/zinc/49/03/47/1075490347.db2.gz	YGOCSUNEKRVZPZ-RHSMWYFYSA-N	1	1	404.511	1.753	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1C	ZINC000537285607	1075490703	/nfs/dbraw/zinc/49/07/03/1075490703.db2.gz	OEFOIHBZPJREIZ-ZYSHUDEJSA-N	1	1	413.522	1.853	20	0		HDADMO
CC[C@H](C)n1nc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C	ZINC000542898773	1075491026	/nfs/dbraw/zinc/49/10/26/1075491026.db2.gz	WVDZXHIWXVOJKE-KXBFYZLASA-N	1	1	413.522	1.984	20	0		HDADMO
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C2=O	ZINC000676286928	1075491168	/nfs/dbraw/zinc/49/11/68/1075491168.db2.gz	KKHGFCNXEKFMCP-YYOAPQJESA-N	1	1	422.570	1.739	20	0		HDADMO
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C2=O	ZINC000676286928	1075491170	/nfs/dbraw/zinc/49/11/70/1075491170.db2.gz	KKHGFCNXEKFMCP-YYOAPQJESA-N	1	1	422.570	1.739	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H](N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1=O	ZINC000466726077	1075493908	/nfs/dbraw/zinc/49/39/08/1075493908.db2.gz	DMBSZIQIWCCHAU-RHSMWYFYSA-N	1	1	407.536	1.825	20	0		HDADMO
Cc1nc(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)sc1S(N)(=O)=O	ZINC000549259922	1075494319	/nfs/dbraw/zinc/49/43/19/1075494319.db2.gz	SDEOIPVWBCYWOZ-UHFFFAOYSA-N	1	1	402.586	2.325	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c1	ZINC000676289333	1075494946	/nfs/dbraw/zinc/49/49/46/1075494946.db2.gz	FKIQOTWSIXWTGR-OTWHNJEPSA-N	1	1	423.579	1.600	20	0		HDADMO
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c1	ZINC000676289333	1075494952	/nfs/dbraw/zinc/49/49/52/1075494952.db2.gz	FKIQOTWSIXWTGR-OTWHNJEPSA-N	1	1	423.579	1.600	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1F	ZINC000676293246	1075497382	/nfs/dbraw/zinc/49/73/82/1075497382.db2.gz	NIIHPELURHUNOW-UHFFFAOYSA-N	1	1	402.474	1.235	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1	ZINC000676296455	1075499603	/nfs/dbraw/zinc/49/96/03/1075499603.db2.gz	AOODTRSDIBNUHS-QUCCMNQESA-N	1	1	401.555	1.455	20	0		HDADMO
O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676304481	1075502669	/nfs/dbraw/zinc/50/26/69/1075502669.db2.gz	UJHDBMUIGNPRKF-UHFFFAOYSA-N	1	1	423.926	1.478	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1F	ZINC000676305524	1075503452	/nfs/dbraw/zinc/50/34/52/1075503452.db2.gz	PVZITBXPSBZRKQ-OXJNMPFZSA-N	1	1	420.529	1.891	20	0		HDADMO
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1F	ZINC000676305524	1075503454	/nfs/dbraw/zinc/50/34/54/1075503454.db2.gz	PVZITBXPSBZRKQ-OXJNMPFZSA-N	1	1	420.529	1.891	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br	ZINC000429422400	1075503739	/nfs/dbraw/zinc/50/37/39/1075503739.db2.gz	ZEIKRRHRILMBJH-ZDUSSCGKSA-N	1	1	419.341	1.801	20	0		HDADMO
COc1cc(CNc2nc(N3CCOCC3)cc[nH+]2)ccc1OCC(=O)N(C)C	ZINC000676307542	1075505302	/nfs/dbraw/zinc/50/53/02/1075505302.db2.gz	VVFVVHJPARCFPR-UHFFFAOYSA-N	1	1	401.467	1.401	20	0		HDADMO
O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1ccnn1Cc1ccccc1Cl	ZINC000676317771	1075506709	/nfs/dbraw/zinc/50/67/09/1075506709.db2.gz	MNYCECZTRRRYEL-QGZVFWFLSA-N	1	1	403.914	1.930	20	0		HDADMO
C[C@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676334579	1075510616	/nfs/dbraw/zinc/51/06/16/1075510616.db2.gz	ZWZMNPQVZDGXTF-FXAWDEMLSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676334579	1075510620	/nfs/dbraw/zinc/51/06/20/1075510620.db2.gz	ZWZMNPQVZDGXTF-FXAWDEMLSA-N	1	1	403.523	1.529	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCCOc2c(C)cccc2C)CC1	ZINC000676336428	1075511624	/nfs/dbraw/zinc/51/16/24/1075511624.db2.gz	HDQRHOCABYPLII-UHFFFAOYSA-N	1	1	401.511	1.995	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCC[C@H]3CCO)c2)CC1	ZINC000429423120	1075512142	/nfs/dbraw/zinc/51/21/42/1075512142.db2.gz	IIKWKFQRYWYBDP-KRWDZBQOSA-N	1	1	410.540	1.392	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCC[C@H]3CCO)c2)CC1	ZINC000429423120	1075512149	/nfs/dbraw/zinc/51/21/49/1075512149.db2.gz	IIKWKFQRYWYBDP-KRWDZBQOSA-N	1	1	410.540	1.392	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O	ZINC000731756292	1075512317	/nfs/dbraw/zinc/51/23/17/1075512317.db2.gz	IMCAIZHUHHQRGI-KRWDZBQOSA-N	1	1	410.453	1.858	20	0		HDADMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000731755739	1075512557	/nfs/dbraw/zinc/51/25/57/1075512557.db2.gz	BIBUZKZAVWLZSI-IXDOHACOSA-N	1	1	402.605	1.161	20	0		HDADMO
C[N@@H+]1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@H](c2ccccc2)C1	ZINC000731761312	1075515247	/nfs/dbraw/zinc/51/52/47/1075515247.db2.gz	DVJJIWNUBQDEOM-IBGZPJMESA-N	1	1	408.568	1.194	20	0		HDADMO
C[N@H+]1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@H](c2ccccc2)C1	ZINC000731761312	1075515250	/nfs/dbraw/zinc/51/52/50/1075515250.db2.gz	DVJJIWNUBQDEOM-IBGZPJMESA-N	1	1	408.568	1.194	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000731761899	1075516770	/nfs/dbraw/zinc/51/67/70/1075516770.db2.gz	MJZCQNMAQIMOFU-UHFFFAOYSA-N	1	1	418.466	1.357	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1	ZINC000731761775	1075516787	/nfs/dbraw/zinc/51/67/87/1075516787.db2.gz	CVBCDQWXYPJVPE-OAHLLOKOSA-N	1	1	411.547	1.095	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCc2ccccc2Cn2cccn2)CC1	ZINC000676344161	1075516835	/nfs/dbraw/zinc/51/68/35/1075516835.db2.gz	YARDSYMWTODQPT-UHFFFAOYSA-N	1	1	423.521	1.744	20	0		HDADMO
CC(=O)N1c2ccc(S(=O)(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2C[C@@H]1C	ZINC000429427756	1075521252	/nfs/dbraw/zinc/52/12/52/1075521252.db2.gz	SIIUKRUXJSQJCJ-DOTOQJQBSA-N	1	1	407.536	1.327	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676332631	1075523164	/nfs/dbraw/zinc/52/31/64/1075523164.db2.gz	GKZNQILNJHGJAZ-WOSRLPQWSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676332631	1075523167	/nfs/dbraw/zinc/52/31/67/1075523167.db2.gz	GKZNQILNJHGJAZ-WOSRLPQWSA-N	1	1	410.312	1.637	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)(c2ccccc2)CC1	ZINC000676334076	1075523480	/nfs/dbraw/zinc/52/34/80/1075523480.db2.gz	RYFMKKBUGXWUFZ-PKOBYXMFSA-N	1	1	423.579	1.205	20	0		HDADMO
CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)(c2ccccc2)CC1	ZINC000676334076	1075523484	/nfs/dbraw/zinc/52/34/84/1075523484.db2.gz	RYFMKKBUGXWUFZ-PKOBYXMFSA-N	1	1	423.579	1.205	20	0		HDADMO
COc1nc(NCCCN2CCN(c3cc[nH+]cc3)CC2)ncc1Br	ZINC000444076319	1075524504	/nfs/dbraw/zinc/52/45/04/1075524504.db2.gz	RDHCYYGUDXLHGX-UHFFFAOYSA-N	1	1	407.316	2.267	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1	ZINC000731826683	1075524901	/nfs/dbraw/zinc/52/49/01/1075524901.db2.gz	KAXUTZNDFIDWDQ-HNNXBMFYSA-N	1	1	412.515	1.650	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000142112352	1075526856	/nfs/dbraw/zinc/52/68/56/1075526856.db2.gz	YIPDBHAIWVHSGR-GASCZTMLSA-N	1	1	406.483	1.443	20	0		HDADMO
O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000731808578	1075526943	/nfs/dbraw/zinc/52/69/43/1075526943.db2.gz	AUOSTYUCJLBEGU-IRXDYDNUSA-N	1	1	411.499	1.203	20	0		HDADMO
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000429428035	1075528049	/nfs/dbraw/zinc/52/80/49/1075528049.db2.gz	OYJSCVBLCUXZSR-SFHVURJKSA-N	1	1	401.511	1.079	20	0		HDADMO
C[C@](CO)([NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccccc1	ZINC000731845092	1075530062	/nfs/dbraw/zinc/53/00/62/1075530062.db2.gz	XOTSPJGEZFMCOM-DHIUTWEWSA-N	1	1	424.501	1.458	20	0		HDADMO
C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676358328	1075531861	/nfs/dbraw/zinc/53/18/61/1075531861.db2.gz	DITRZPRLIVGJGP-YFVAEKQCSA-N	1	1	402.539	1.427	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000676360212	1075532584	/nfs/dbraw/zinc/53/25/84/1075532584.db2.gz	QNHYRLJJWRCMPY-GOEBONIOSA-N	1	1	415.494	1.528	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)C1	ZINC000676359408	1075532721	/nfs/dbraw/zinc/53/27/21/1075532721.db2.gz	QDZJHGCFIIZDAP-DLBZAZTESA-N	1	1	414.506	1.423	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)CC1	ZINC000676360603	1075533546	/nfs/dbraw/zinc/53/35/46/1075533546.db2.gz	XPCMRAJPLVYTAR-UHFFFAOYSA-N	1	1	403.483	1.517	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC1	ZINC000731853468	1075534799	/nfs/dbraw/zinc/53/47/99/1075534799.db2.gz	FMGFLZSEQAXOGU-KRWDZBQOSA-N	1	1	418.604	1.285	20	0		HDADMO
CCOC(=O)N1CCC(S(=O)(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC1	ZINC000731853468	1075534802	/nfs/dbraw/zinc/53/48/02/1075534802.db2.gz	FMGFLZSEQAXOGU-KRWDZBQOSA-N	1	1	418.604	1.285	20	0		HDADMO
CCOC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1C	ZINC000509413308	1075537761	/nfs/dbraw/zinc/53/77/61/1075537761.db2.gz	CILNDOIGLFFCTF-UHFFFAOYSA-N	1	1	410.536	1.905	20	0		HDADMO
O=C(Cc1cc(Br)ccc1F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676380248	1075538729	/nfs/dbraw/zinc/53/87/29/1075538729.db2.gz	JXHMAXOHIPJOPG-MRXNPFEDSA-N	1	1	414.319	1.653	20	0		HDADMO
CS(=O)(=O)c1cc(CNc2cc[nH+]c(N3CCOCC3)n2)cc(C(F)(F)F)c1	ZINC000574329656	1075543219	/nfs/dbraw/zinc/54/32/19/1075543219.db2.gz	FGVCQXUCGNRUHR-UHFFFAOYSA-N	1	1	416.425	2.348	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CN3C(=O)N[C@H](CCOC(C)(C)C)C3=O)cc2)CC1	ZINC000804145408	1075546327	/nfs/dbraw/zinc/54/63/27/1075546327.db2.gz	NZNBIJUHXMKNBQ-GOSISDBHSA-N	1	1	416.522	1.700	20	0		HDADMO
O=C(CC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000731843370	1075547337	/nfs/dbraw/zinc/54/73/37/1075547337.db2.gz	AZAVXZGXAQAZHX-IBGZPJMESA-N	1	1	407.536	1.503	20	0		HDADMO
O=C(CC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000731843370	1075547340	/nfs/dbraw/zinc/54/73/40/1075547340.db2.gz	AZAVXZGXAQAZHX-IBGZPJMESA-N	1	1	407.536	1.503	20	0		HDADMO
CC(C)(C)C[N@@H+](CCCO)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000731843318	1075547393	/nfs/dbraw/zinc/54/73/93/1075547393.db2.gz	PHJCECQUPGPNID-UHFFFAOYSA-N	1	1	424.567	1.826	20	0		HDADMO
CC(C)NC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000731842973	1075548666	/nfs/dbraw/zinc/54/86/66/1075548666.db2.gz	SRMGWAFBOUKVAB-LJQANCHMSA-N	1	1	416.522	1.477	20	0		HDADMO
Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1	ZINC000676452329	1075557532	/nfs/dbraw/zinc/55/75/32/1075557532.db2.gz	HWZNRQLOEFHNRN-LJQANCHMSA-N	1	1	424.549	1.666	20	0		HDADMO
CCCCCC[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O	ZINC000731865647	1075558633	/nfs/dbraw/zinc/55/86/33/1075558633.db2.gz	NUPVLWGTKOFODQ-UHFFFAOYSA-N	1	1	413.540	1.864	20	0		HDADMO
CCc1ccc([C@@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000804157669	1075562680	/nfs/dbraw/zinc/56/26/80/1075562680.db2.gz	ZDBKRZHWMGBJMB-VQTJNVASSA-N	1	1	403.523	1.112	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)COc2ccccc2O)cc1	ZINC000676473337	1075563165	/nfs/dbraw/zinc/56/31/65/1075563165.db2.gz	VODRVPYFKFVKFV-UHFFFAOYSA-N	1	1	412.490	1.620	20	0		HDADMO
CC(C)COc1cccc(OCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000676490100	1075568768	/nfs/dbraw/zinc/56/87/68/1075568768.db2.gz	SGQWAUCTGPMERL-LJQANCHMSA-N	1	1	405.539	1.623	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)CCO2	ZINC000676496789	1075569044	/nfs/dbraw/zinc/56/90/44/1075569044.db2.gz	YIYBMQJVWZNBIA-LPHOPBHVSA-N	1	1	417.506	1.206	20	0		HDADMO
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000676497467	1075569780	/nfs/dbraw/zinc/56/97/80/1075569780.db2.gz	BCRFQXGDISLHPT-ICSRJNTNSA-N	1	1	420.579	1.894	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000676507699	1075572266	/nfs/dbraw/zinc/57/22/66/1075572266.db2.gz	ZMDCNDSYCRDJEN-AZUAARDMSA-N	1	1	405.564	1.867	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C(=O)N1c1cnn(C)c1	ZINC000676542126	1075580479	/nfs/dbraw/zinc/58/04/79/1075580479.db2.gz	JBIUXZLECKPCNO-PDWMJMLSSA-N	1	1	400.527	1.572	20	0		HDADMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1	ZINC000676541851	1075580661	/nfs/dbraw/zinc/58/06/61/1075580661.db2.gz	UVRYXKYUKHTMGN-AWEZNQCLSA-N	1	1	400.520	1.640	20	0		HDADMO
O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000676556475	1075588521	/nfs/dbraw/zinc/58/85/21/1075588521.db2.gz	RRXPSJBPWKCVHF-OXQOHEQNSA-N	1	1	408.506	1.740	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](CO)CC(C)(C)C)cc2)CC1	ZINC000676556912	1075589525	/nfs/dbraw/zinc/58/95/25/1075589525.db2.gz	XSJJRVIBSQWXIU-SFHVURJKSA-N	1	1	418.538	1.316	20	0		HDADMO
CCn1c(=O)c2ccccc2n(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1=O	ZINC000732032374	1075591711	/nfs/dbraw/zinc/59/17/11/1075591711.db2.gz	IJBQGNLVAAFZNM-GOSISDBHSA-N	1	1	420.513	1.916	20	0		HDADMO
CCn1c(=O)c2ccccc2n(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1=O	ZINC000732032374	1075591716	/nfs/dbraw/zinc/59/17/16/1075591716.db2.gz	IJBQGNLVAAFZNM-GOSISDBHSA-N	1	1	420.513	1.916	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1	ZINC000732057314	1075596465	/nfs/dbraw/zinc/59/64/65/1075596465.db2.gz	MUAMHNHTGFTSTQ-HJWRWDBZSA-N	1	1	421.545	1.779	20	0		HDADMO
CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000732061524	1075598322	/nfs/dbraw/zinc/59/83/22/1075598322.db2.gz	NKXGVZOCAFRICY-MSOLQXFVSA-N	1	1	405.543	1.127	20	0		HDADMO
COC1(CNC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CCOCC1	ZINC000676573568	1075599924	/nfs/dbraw/zinc/59/99/24/1075599924.db2.gz	MEHXOCSKYMPSCF-LJQANCHMSA-N	1	1	418.538	1.379	20	0		HDADMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1	ZINC000448507140	1075600093	/nfs/dbraw/zinc/60/00/93/1075600093.db2.gz	DOLXUYQAESSZSR-ZFWWWQNUSA-N	1	1	409.412	2.336	20	0		HDADMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C1	ZINC000468426109	1075603612	/nfs/dbraw/zinc/60/36/12/1075603612.db2.gz	CEXBBVBHGGFIQL-GOSISDBHSA-N	1	1	412.538	2.088	20	0		HDADMO
CN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C	ZINC000804178928	1075604702	/nfs/dbraw/zinc/60/47/02/1075604702.db2.gz	ZQXFYGNTVBUORP-WBVHZDCISA-N	1	1	408.543	1.445	20	0		HDADMO
C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C[C@H]1C	ZINC000543680501	1075609891	/nfs/dbraw/zinc/60/98/91/1075609891.db2.gz	QIXPXDKKBHZQOA-VEZWFGLTSA-N	1	1	412.600	1.217	20	0		HDADMO
CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)OC(C)(C)C	ZINC000804179228	1075609951	/nfs/dbraw/zinc/60/99/51/1075609951.db2.gz	ASJORJGRGLHDKY-IAGOWNOFSA-N	1	1	404.511	1.531	20	0		HDADMO
C[C@@H]1CN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1CC(C)(C)O	ZINC000435802835	1075610255	/nfs/dbraw/zinc/61/02/55/1075610255.db2.gz	ZNPVGFHDZMMSMF-CQSZACIVSA-N	1	1	417.476	2.389	20	0		HDADMO
COC1(CNC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CCOCC1	ZINC000676612767	1075615710	/nfs/dbraw/zinc/61/57/10/1075615710.db2.gz	VQKPITLSKZGRCC-UHFFFAOYSA-N	1	1	406.527	1.511	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1	ZINC000676616063	1075617253	/nfs/dbraw/zinc/61/72/53/1075617253.db2.gz	JAZADPMJSKBHHB-AWEZNQCLSA-N	1	1	422.480	1.760	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)CC1	ZINC000732121467	1075629303	/nfs/dbraw/zinc/62/93/03/1075629303.db2.gz	LCGGFXDMIPJOTM-CYVLTUHYSA-N	1	1	400.483	1.169	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1	ZINC000485864352	1075635779	/nfs/dbraw/zinc/63/57/79/1075635779.db2.gz	QPKQECICDJZCEF-CHWSQXEVSA-N	1	1	403.483	1.597	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N(C)CCC[NH+]3CCN(C)CC3)c(=O)[nH]c21	ZINC000732114454	1075635899	/nfs/dbraw/zinc/63/58/99/1075635899.db2.gz	MUCBUKIQJMKNSS-SREVYHEPSA-N	1	1	400.527	1.415	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000804221464	1075644168	/nfs/dbraw/zinc/64/41/68/1075644168.db2.gz	WPZYUTJQGAMTOK-BBWFWOEESA-N	1	1	410.559	1.833	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br	ZINC000732139342	1075647232	/nfs/dbraw/zinc/64/72/32/1075647232.db2.gz	OGYFEHISCUTMBE-LLVKDONJSA-N	1	1	404.330	1.701	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000732149280	1075650286	/nfs/dbraw/zinc/65/02/86/1075650286.db2.gz	GCLSCKUAQHSOFC-XIJQHFHMSA-N	1	1	420.579	1.061	20	0		HDADMO
COc1ccc(-c2noc(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)n2)c(OC)c1	ZINC000676701385	1075651258	/nfs/dbraw/zinc/65/12/58/1075651258.db2.gz	CJMWZPYYFDHXGA-MRXNPFEDSA-N	1	1	401.511	1.966	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1	ZINC001545676610	1075656671	/nfs/dbraw/zinc/65/66/71/1075656671.db2.gz	GWBOIQMJTBLTNM-MRXNPFEDSA-N	1	1	402.547	1.196	20	0		HDADMO
COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CCCOC[C@@H]3C)CC2)cc1OC	ZINC000676710340	1075656931	/nfs/dbraw/zinc/65/69/31/1075656931.db2.gz	CCIXIDQQEPPOBB-SFHVURJKSA-N	1	1	405.539	1.767	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCOC[C@@H]2C)CC1	ZINC000676711777	1075657919	/nfs/dbraw/zinc/65/79/19/1075657919.db2.gz	IETKKEVDKDGOIN-IBGZPJMESA-N	1	1	402.539	1.497	20	0		HDADMO
COCc1ncc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)c(N)n1	ZINC000508767760	1075661244	/nfs/dbraw/zinc/66/12/44/1075661244.db2.gz	AAUBYFHGHFKCOJ-CQSZACIVSA-N	1	1	407.515	1.473	20	0		HDADMO
COCc1ncc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c(N)n1	ZINC000508767760	1075661249	/nfs/dbraw/zinc/66/12/49/1075661249.db2.gz	AAUBYFHGHFKCOJ-CQSZACIVSA-N	1	1	407.515	1.473	20	0		HDADMO
CCOCC[NH+]1CCN(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)CC1	ZINC000732180510	1075662562	/nfs/dbraw/zinc/66/25/62/1075662562.db2.gz	KKIPCNZKPGULQX-JOCHJYFZSA-N	1	1	400.523	1.772	20	0		HDADMO
CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1	ZINC000676733294	1075664584	/nfs/dbraw/zinc/66/45/84/1075664584.db2.gz	IPIFZVWFTFPGSE-OAHLLOKOSA-N	1	1	413.515	1.354	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(Cc2ccncc2)n1	ZINC000429459331	1075664812	/nfs/dbraw/zinc/66/48/12/1075664812.db2.gz	XONXOANPLRRXLZ-QHCPKHFHSA-N	1	1	420.517	2.427	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NCc1ccc(N2CCCC2=O)cc1	ZINC000732210061	1075666772	/nfs/dbraw/zinc/66/67/72/1075666772.db2.gz	BQYKKNYXZRIZIJ-HXUWFJFHSA-N	1	1	412.534	1.907	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NCc1ccc(N2CCCC2=O)cc1	ZINC000732210061	1075666775	/nfs/dbraw/zinc/66/67/75/1075666775.db2.gz	BQYKKNYXZRIZIJ-HXUWFJFHSA-N	1	1	412.534	1.907	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000554849538	1075666818	/nfs/dbraw/zinc/66/68/18/1075666818.db2.gz	ZFVAIVIUZQKTQL-IRXDYDNUSA-N	1	1	412.513	2.115	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000732212237	1075668886	/nfs/dbraw/zinc/66/88/86/1075668886.db2.gz	QGMQMGRAWGHILP-QGZVFWFLSA-N	1	1	402.495	1.041	20	0		HDADMO
CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@H]3CC[N@H+](C4CC4)C3)CC2)c(F)c1	ZINC000732213877	1075669311	/nfs/dbraw/zinc/66/93/11/1075669311.db2.gz	IXYMSIMGRQAIHP-IBGZPJMESA-N	1	1	402.514	1.845	20	0		HDADMO
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000732214594	1075669901	/nfs/dbraw/zinc/66/99/01/1075669901.db2.gz	KTZBVNQWDZCIJG-GOEBONIOSA-N	1	1	404.492	1.810	20	0		HDADMO
COCc1ncc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(N)n1	ZINC000622608162	1075680031	/nfs/dbraw/zinc/68/00/31/1075680031.db2.gz	XYIGAPWWIYNBDT-INIZCTEOSA-N	1	1	405.449	1.979	20	0		HDADMO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000732247287	1075680178	/nfs/dbraw/zinc/68/01/78/1075680178.db2.gz	DDGGEMWWYIZQDZ-KRWDZBQOSA-N	1	1	416.632	1.695	20	0		HDADMO
CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1	ZINC000732226220	1075683335	/nfs/dbraw/zinc/68/33/35/1075683335.db2.gz	CYXGXFJWEFLLQE-INIZCTEOSA-N	1	1	416.565	1.357	20	0		HDADMO
COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000732226238	1075683410	/nfs/dbraw/zinc/68/34/10/1075683410.db2.gz	FDBYKKWADZERHD-CDVVCGDMSA-N	1	1	424.519	1.747	20	0		HDADMO
COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000732226238	1075683413	/nfs/dbraw/zinc/68/34/13/1075683413.db2.gz	FDBYKKWADZERHD-CDVVCGDMSA-N	1	1	424.519	1.747	20	0		HDADMO
CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO	ZINC001546537365	1075683971	/nfs/dbraw/zinc/68/39/71/1075683971.db2.gz	QJWULQMRCIHYEH-HZPDHXFCSA-N	1	1	418.508	1.760	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cnc(C4CCCC4)nc3N)CC2)CC1	ZINC000497570898	1075685059	/nfs/dbraw/zinc/68/50/59/1075685059.db2.gz	IYSXUINXTONTQH-UHFFFAOYSA-N	1	1	414.554	1.733	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1	ZINC000732232276	1075685156	/nfs/dbraw/zinc/68/51/56/1075685156.db2.gz	HSVRSFJTVRFFRX-YQQAZPJKSA-N	1	1	411.572	1.985	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1	ZINC000732233215	1075685545	/nfs/dbraw/zinc/68/55/45/1075685545.db2.gz	YGJBAFOFNJKUBI-MOPGFXCFSA-N	1	1	403.527	1.369	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1	ZINC000804215673	1075689874	/nfs/dbraw/zinc/68/98/74/1075689874.db2.gz	AOHXPNFCXWAYLP-ZACQAIPSSA-N	1	1	412.575	1.985	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)CNC(=O)OCC(F)(F)F)c2cccs2)CC1	ZINC000732305924	1075694289	/nfs/dbraw/zinc/69/42/89/1075694289.db2.gz	HZMBATJTKMAOIO-LBPRGKRZSA-N	1	1	408.446	1.441	20	0		HDADMO
CCc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO	ZINC001546537366	1075694585	/nfs/dbraw/zinc/69/45/85/1075694585.db2.gz	QJWULQMRCIHYEH-JKSUJKDBSA-N	1	1	418.508	1.760	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCS[C@@H](C)[C@@H]1C	ZINC000509438138	1075695386	/nfs/dbraw/zinc/69/53/86/1075695386.db2.gz	LLUOZBGNUDJSQW-SQNIBIBYSA-N	1	1	404.580	1.666	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)CNC(=O)OCC(F)(F)F)cc2)CC1	ZINC000732308232	1075696042	/nfs/dbraw/zinc/69/60/42/1075696042.db2.gz	VIDCQHNULUCJPK-UHFFFAOYSA-N	1	1	402.417	1.339	20	0		HDADMO
CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1	ZINC000464731056	1075699240	/nfs/dbraw/zinc/69/92/40/1075699240.db2.gz	CWYNIEWIPVFOJM-OLZOCXBDSA-N	1	1	417.480	2.094	20	0		HDADMO
CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1	ZINC000464731056	1075699242	/nfs/dbraw/zinc/69/92/42/1075699242.db2.gz	CWYNIEWIPVFOJM-OLZOCXBDSA-N	1	1	417.480	2.094	20	0		HDADMO
O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)Nc1ccc(O)cc1	ZINC001084993306	1075699700	/nfs/dbraw/zinc/69/97/00/1075699700.db2.gz	XOFZGXHZBVGXCM-LNYLRXOZSA-N	1	1	411.502	1.677	20	0		HDADMO
O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)Nc1ccc(O)cc1	ZINC001084993306	1075699702	/nfs/dbraw/zinc/69/97/02/1075699702.db2.gz	XOFZGXHZBVGXCM-LNYLRXOZSA-N	1	1	411.502	1.677	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1	ZINC000463264330	1075700145	/nfs/dbraw/zinc/70/01/45/1075700145.db2.gz	GCOXLHLWZYTFRK-GDBMZVCRSA-N	1	1	401.540	1.472	20	0		HDADMO
COc1cc2[nH+]c(NCCNS(=O)(=O)c3ccc(C)s3)nc(N)c2cc1OC	ZINC000434948872	1075702146	/nfs/dbraw/zinc/70/21/46/1075702146.db2.gz	XPHQYDYJUQSIAH-UHFFFAOYSA-N	1	1	423.520	1.411	20	0		HDADMO
COc1cc2[nH+]c(NC[C@H]3CN(Cc4ccccc4)CCO3)nc(N)c2cc1OC	ZINC000599441201	1075702761	/nfs/dbraw/zinc/70/27/61/1075702761.db2.gz	ULYGYOKZUDOKLG-INIZCTEOSA-N	1	1	409.490	1.964	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1	ZINC001545676662	1075711724	/nfs/dbraw/zinc/71/17/24/1075711724.db2.gz	HOKBPEJHBOLNMS-GBESFXJTSA-N	1	1	418.586	1.994	20	0		HDADMO
CO[C@]1(C)C[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C	ZINC000509438722	1075716309	/nfs/dbraw/zinc/71/63/09/1075716309.db2.gz	NPMYTZFLGRPGAR-LYHRCORUSA-N	1	1	416.566	1.633	20	0		HDADMO
Cn1cnc(NC(=O)C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)n1	ZINC000550630132	1075718491	/nfs/dbraw/zinc/71/84/91/1075718491.db2.gz	UUIQQNPMDLJKBS-UHFFFAOYSA-N	1	1	411.293	1.841	20	0		HDADMO
CC(=O)N1CC[NH+](CCOc2ccc(CCNc3ccc4nnc(C)n4n3)cc2)CC1	ZINC000518318718	1075720805	/nfs/dbraw/zinc/72/08/05/1075720805.db2.gz	ZKVOPYWFTONJLN-UHFFFAOYSA-N	1	1	423.521	1.630	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC[N@H+]1C	ZINC000490477501	1075723360	/nfs/dbraw/zinc/72/33/60/1075723360.db2.gz	QDYANAKFYDDYDX-VXGBXAGGSA-N	1	1	410.400	1.824	20	0		HDADMO
COCC1(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC1	ZINC000509442083	1075727329	/nfs/dbraw/zinc/72/73/29/1075727329.db2.gz	MQACBNDKQIRYON-GOSISDBHSA-N	1	1	402.539	1.246	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1C1CC1	ZINC000555033388	1075728687	/nfs/dbraw/zinc/72/86/87/1075728687.db2.gz	SAFBSKNIJWVPET-QGZVFWFLSA-N	1	1	413.547	1.970	20	0		HDADMO
Cn1nc(NC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1C1CC1	ZINC000555033388	1075728693	/nfs/dbraw/zinc/72/86/93/1075728693.db2.gz	SAFBSKNIJWVPET-QGZVFWFLSA-N	1	1	413.547	1.970	20	0		HDADMO
C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1Cc1ccccc1	ZINC000511719900	1075732882	/nfs/dbraw/zinc/73/28/82/1075732882.db2.gz	BNNFVDOWVLGMEK-XLIONFOSSA-N	1	1	424.549	1.868	20	0		HDADMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)CC1	ZINC000429474646	1075735546	/nfs/dbraw/zinc/73/55/46/1075735546.db2.gz	XKNTVGNKAUOIBU-WMZOPIPTSA-N	1	1	416.522	1.070	20	0		HDADMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)CC1	ZINC000429474638	1075735626	/nfs/dbraw/zinc/73/56/26/1075735626.db2.gz	XKNTVGNKAUOIBU-FUHWJXTLSA-N	1	1	416.522	1.070	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@]1(C)CCCO	ZINC000509442834	1075735900	/nfs/dbraw/zinc/73/59/00/1075735900.db2.gz	UQURVGKTEMZUEI-AUSIDOKSSA-N	1	1	416.566	1.467	20	0		HDADMO
CCC(O)(CC)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509442516	1075736816	/nfs/dbraw/zinc/73/68/16/1075736816.db2.gz	QCBHSUILKTYZDK-GOSISDBHSA-N	1	1	404.555	1.371	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21	ZINC000509443146	1075738837	/nfs/dbraw/zinc/73/88/37/1075738837.db2.gz	XQRAMSBAVZVPQK-CWJKEVGVSA-N	1	1	414.550	1.387	20	0		HDADMO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732412990	1075739012	/nfs/dbraw/zinc/73/90/12/1075739012.db2.gz	NVFMCFSBNFUOKB-VQTJNVASSA-N	1	1	413.518	1.590	20	0		HDADMO
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000732412990	1075739020	/nfs/dbraw/zinc/73/90/20/1075739020.db2.gz	NVFMCFSBNFUOKB-VQTJNVASSA-N	1	1	413.518	1.590	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(Cc1ccccn1)C1CC1	ZINC000509443254	1075739096	/nfs/dbraw/zinc/73/90/96/1075739096.db2.gz	YPJLWNTVYHHUAN-LJQANCHMSA-N	1	1	421.545	1.900	20	0		HDADMO
COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c(OC)c1	ZINC000732413438	1075739409	/nfs/dbraw/zinc/73/94/09/1075739409.db2.gz	UWCOHUAESBNDDI-ROUUACIJSA-N	1	1	420.506	1.698	20	0		HDADMO
COc1ccccc1CN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509443290	1075739501	/nfs/dbraw/zinc/73/95/01/1075739501.db2.gz	YVHOXFCONFSNSN-LJQANCHMSA-N	1	1	424.545	1.981	20	0		HDADMO
C[NH+]1CCN([C@@H](CNC(=O)N2CCCC[C@H]2C2OCCO2)c2cccs2)CC1	ZINC000732443417	1075746229	/nfs/dbraw/zinc/74/62/29/1075746229.db2.gz	XTPCMBDJARNMOI-IRXDYDNUSA-N	1	1	408.568	1.974	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000440691778	1075747335	/nfs/dbraw/zinc/74/73/35/1075747335.db2.gz	GEZFWZYMZBTABC-GOSISDBHSA-N	1	1	407.522	1.846	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNC(=O)NCCN3CCO[C@H](C)C3)CC2)cs1	ZINC000732457644	1075749343	/nfs/dbraw/zinc/74/93/43/1075749343.db2.gz	JKWLCMRTQGUJNH-MRXNPFEDSA-N	1	1	409.600	1.937	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000461457318	1075750690	/nfs/dbraw/zinc/75/06/90/1075750690.db2.gz	PWRXFLRLPPEBME-RBUKOAKNSA-N	1	1	419.533	1.846	20	0		HDADMO
O=C1CN(Cn2nc(C[NH+]3CCCCC3)n(-c3ccc(F)cc3)c2=S)CCN1	ZINC000732460820	1075750726	/nfs/dbraw/zinc/75/07/26/1075750726.db2.gz	DODSCOSWPFYIKS-UHFFFAOYSA-N	1	1	404.515	1.918	20	0		HDADMO
CN(C)c1cc(C(F)(F)F)nc(NCCC[NH+]2CCN(c3ncccn3)CC2)n1	ZINC000641922139	1075750893	/nfs/dbraw/zinc/75/08/93/1075750893.db2.gz	HREARBUNMTYJES-UHFFFAOYSA-N	1	1	410.448	1.976	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000804221364	1075754674	/nfs/dbraw/zinc/75/46/74/1075754674.db2.gz	KYBJOAHETGYIIX-HOTGVXAUSA-N	1	1	412.575	1.985	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1	ZINC000555059053	1075759958	/nfs/dbraw/zinc/75/99/58/1075759958.db2.gz	ICPHOZMUSYHPLP-UHFFFAOYSA-N	1	1	417.476	2.391	20	0		HDADMO
CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1	ZINC000427349632	1075767279	/nfs/dbraw/zinc/76/72/79/1075767279.db2.gz	KMURYBSQFXXIDY-UHFFFAOYSA-N	1	1	401.515	1.768	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1	ZINC000732572324	1075782325	/nfs/dbraw/zinc/78/23/25/1075782325.db2.gz	TXAYAUREJVAOIL-QGZVFWFLSA-N	1	1	419.489	1.753	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1	ZINC000429274958	1075782686	/nfs/dbraw/zinc/78/26/86/1075782686.db2.gz	JQECOLYTPAIWPC-INIZCTEOSA-N	1	1	412.556	1.638	20	0		HDADMO
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1	ZINC000429274958	1075782690	/nfs/dbraw/zinc/78/26/90/1075782690.db2.gz	JQECOLYTPAIWPC-INIZCTEOSA-N	1	1	412.556	1.638	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1	ZINC000479953882	1075790126	/nfs/dbraw/zinc/79/01/26/1075790126.db2.gz	DYRVVZPUJDXKHZ-OAHLLOKOSA-N	1	1	400.508	1.975	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC3(CC2)OCCc2ccsc23)C1	ZINC000486966300	1075791356	/nfs/dbraw/zinc/79/13/56/1075791356.db2.gz	NCRLBQIJRWZALP-QGZVFWFLSA-N	1	1	420.579	1.909	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1	ZINC000484150326	1075797794	/nfs/dbraw/zinc/79/77/94/1075797794.db2.gz	YAKBFINFFJJABW-AWEZNQCLSA-N	1	1	404.902	1.766	20	0		HDADMO
C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)C2)C1	ZINC000556491058	1075798130	/nfs/dbraw/zinc/79/81/30/1075798130.db2.gz	SZRURCLAZVQWIK-SFHVURJKSA-N	1	1	422.411	1.779	20	0		HDADMO
C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)[C@H]2C1	ZINC000645620722	1075800500	/nfs/dbraw/zinc/80/05/00/1075800500.db2.gz	QSDULZFAHRQLFI-ABAIWWIYSA-N	1	1	408.289	2.280	20	0		HDADMO
O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N(CCO)CCN1CCOCC1	ZINC000487915816	1075805088	/nfs/dbraw/zinc/80/50/88/1075805088.db2.gz	NJQJASCVEVBEEP-GOSISDBHSA-N	1	1	410.584	1.296	20	0		HDADMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000491515945	1075808363	/nfs/dbraw/zinc/80/83/63/1075808363.db2.gz	VXGOBSYTFSLLBO-FZMZJTMJSA-N	1	1	422.411	1.824	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446805683	1075809651	/nfs/dbraw/zinc/80/96/51/1075809651.db2.gz	GOCHZKBWMYTARV-GOEBONIOSA-N	1	1	423.439	2.411	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1	ZINC000611036361	1075818199	/nfs/dbraw/zinc/81/81/99/1075818199.db2.gz	PAFBEHXSQDXUQL-GOSISDBHSA-N	1	1	424.586	1.101	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000611038055	1075818714	/nfs/dbraw/zinc/81/87/14/1075818714.db2.gz	IRMZDRXNAPEQTK-ZWKOTPCHSA-N	1	1	403.527	1.569	20	0		HDADMO
COC(=O)c1cccc([C@@H](C(=O)OC)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1	ZINC000611089212	1075827859	/nfs/dbraw/zinc/82/78/59/1075827859.db2.gz	LDNWSCWWSBZNIW-UXHICEINSA-N	1	1	403.523	1.789	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000429291846	1075830795	/nfs/dbraw/zinc/83/07/95/1075830795.db2.gz	GXAIPINOTUSXEU-IAGOWNOFSA-N	1	1	404.511	1.279	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)C[C@H]1C	ZINC000611100427	1075833567	/nfs/dbraw/zinc/83/35/67/1075833567.db2.gz	CZFJNRUAPILHFU-OAHLLOKOSA-N	1	1	413.478	1.458	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)C[C@H]1C	ZINC000611100427	1075833574	/nfs/dbraw/zinc/83/35/74/1075833574.db2.gz	CZFJNRUAPILHFU-OAHLLOKOSA-N	1	1	413.478	1.458	20	0		HDADMO
O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000732701138	1075835427	/nfs/dbraw/zinc/83/54/27/1075835427.db2.gz	KZYAXEPDOVBWQH-CYBMUJFWSA-N	1	1	412.478	1.332	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000429295054	1075846135	/nfs/dbraw/zinc/84/61/35/1075846135.db2.gz	AAXRUZACVJHQPF-SQNIBIBYSA-N	1	1	418.538	1.749	20	0		HDADMO
NC(=O)c1coc(CNc2cc(NCc3cc(C(N)=O)co3)c3ccncc3[nH+]2)c1	ZINC000553540477	1075847645	/nfs/dbraw/zinc/84/76/45/1075847645.db2.gz	OZGXGDVVUOCZMU-UHFFFAOYSA-N	1	1	406.402	2.238	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1	ZINC000732777964	1075855486	/nfs/dbraw/zinc/85/54/86/1075855486.db2.gz	KCXFPKPRMMCZGJ-UHFFFAOYSA-N	1	1	415.556	1.779	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000560222601	1075857012	/nfs/dbraw/zinc/85/70/12/1075857012.db2.gz	MOKHQICJBMBGOJ-GOSISDBHSA-N	1	1	411.506	2.325	20	0		HDADMO
C[N@@H+](CCCO)C1CCN(C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC1	ZINC000611157139	1075860001	/nfs/dbraw/zinc/86/00/01/1075860001.db2.gz	UBJFBXOTFPUFKZ-NDEPHWFRSA-N	1	1	410.536	1.261	20	0		HDADMO
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000732782194	1075866501	/nfs/dbraw/zinc/86/65/01/1075866501.db2.gz	DZXPYLUXSKWMJF-SFHVURJKSA-N	1	1	403.479	1.515	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)Nc3cccc([S@](C)=O)c3)CC2)CC1	ZINC000611176428	1075869854	/nfs/dbraw/zinc/86/98/54/1075869854.db2.gz	VFZPAZCBJICOCO-LJAQVGFWSA-N	1	1	420.579	1.380	20	0		HDADMO
COCC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1	ZINC000732811409	1075872303	/nfs/dbraw/zinc/87/23/03/1075872303.db2.gz	RCELQVLVRUSZKI-UHFFFAOYSA-N	1	1	408.524	1.454	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732813663	1075873884	/nfs/dbraw/zinc/87/38/84/1075873884.db2.gz	ZKRMFASLWGLNHK-HKUYNNGSSA-N	1	1	415.534	1.982	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732813663	1075873888	/nfs/dbraw/zinc/87/38/88/1075873888.db2.gz	ZKRMFASLWGLNHK-HKUYNNGSSA-N	1	1	415.534	1.982	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732811848	1075873990	/nfs/dbraw/zinc/87/39/90/1075873990.db2.gz	WSNGAQFCBWTLSR-HNNXBMFYSA-N	1	1	423.457	1.411	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732815525	1075876112	/nfs/dbraw/zinc/87/61/12/1075876112.db2.gz	WNVXXTMIRQKSCC-JYVXZMADSA-N	1	1	409.430	1.061	20	0		HDADMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732884549	1075891187	/nfs/dbraw/zinc/89/11/87/1075891187.db2.gz	KPBREINTCDPHNY-CQSZACIVSA-N	1	1	410.400	1.880	20	0		HDADMO
CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)N1CC[NH+](C)CC1	ZINC000732885843	1075892711	/nfs/dbraw/zinc/89/27/11/1075892711.db2.gz	QZNHKFUTDANOGY-HUUCEWRRSA-N	1	1	407.481	1.063	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cn1	ZINC000732897331	1075900004	/nfs/dbraw/zinc/90/00/04/1075900004.db2.gz	VDJOFCVMHQLEIP-QGZVFWFLSA-N	1	1	410.478	1.518	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1	ZINC000611323444	1075900903	/nfs/dbraw/zinc/90/09/03/1075900903.db2.gz	OIIWOIMAGASAMF-INIZCTEOSA-N	1	1	405.495	1.078	20	0		HDADMO
COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c(OC)c1	ZINC000732871387	1075901828	/nfs/dbraw/zinc/90/18/28/1075901828.db2.gz	HANMUOKXDBMLAA-ROUUACIJSA-N	1	1	420.506	1.698	20	0		HDADMO
O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1ccccc1I	ZINC000611348994	1075912998	/nfs/dbraw/zinc/91/29/98/1075912998.db2.gz	PVIWOWRXXYXXAJ-CYBMUJFWSA-N	1	1	415.275	1.636	20	0		HDADMO
COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000611365611	1075913595	/nfs/dbraw/zinc/91/35/95/1075913595.db2.gz	GETJJIRQTATDJE-KGLIPLIRSA-N	1	1	409.508	1.148	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)[C@@H](C)C1	ZINC000611396262	1075924672	/nfs/dbraw/zinc/92/46/72/1075924672.db2.gz	POWNYIWJGUWBMH-HKUYNNGSSA-N	1	1	413.522	1.983	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)[C@@H](C)C1	ZINC000611396262	1075924675	/nfs/dbraw/zinc/92/46/75/1075924675.db2.gz	POWNYIWJGUWBMH-HKUYNNGSSA-N	1	1	413.522	1.983	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)[C@@H](C)C1	ZINC000611401245	1075925411	/nfs/dbraw/zinc/92/54/11/1075925411.db2.gz	KRQDJWPDWVCADS-AWEZNQCLSA-N	1	1	415.538	1.922	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)[C@@H](C)C1	ZINC000611401245	1075925414	/nfs/dbraw/zinc/92/54/14/1075925414.db2.gz	KRQDJWPDWVCADS-AWEZNQCLSA-N	1	1	415.538	1.922	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1=O	ZINC000733001324	1075933351	/nfs/dbraw/zinc/93/33/51/1075933351.db2.gz	OTKRDQPBFVWZML-FUHWJXTLSA-N	1	1	408.543	1.445	20	0		HDADMO
CCOC(=O)c1cc(CC)sc1NC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1	ZINC000611522662	1075951827	/nfs/dbraw/zinc/95/18/27/1075951827.db2.gz	QNYCOKJFSYORIV-UHFFFAOYSA-N	1	1	410.540	1.132	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N(CCO)CCc3ccccc3)cc2)CC1	ZINC000733046536	1075952475	/nfs/dbraw/zinc/95/24/75/1075952475.db2.gz	ANKPCDBJFAQTAY-UHFFFAOYSA-N	1	1	424.545	1.831	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(F)c(I)c2)CC1	ZINC000611515806	1075953459	/nfs/dbraw/zinc/95/34/59/1075953459.db2.gz	MDLVJKWEHJQMEV-UHFFFAOYSA-N	1	1	406.239	1.959	20	0		HDADMO
CCOC(=O)c1sc(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)nc1C	ZINC000611545918	1075960466	/nfs/dbraw/zinc/96/04/66/1075960466.db2.gz	HWRMTZGPBZETJQ-UHFFFAOYSA-N	1	1	414.447	1.464	20	0		HDADMO
CCOC(=O)[C@@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1	ZINC000611545882	1075960484	/nfs/dbraw/zinc/96/04/84/1075960484.db2.gz	FDZLMCRXUXXIHH-QGZVFWFLSA-N	1	1	421.457	1.744	20	0		HDADMO
CC(C)OC(=O)N1CCC(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1	ZINC000733044694	1075963776	/nfs/dbraw/zinc/96/37/76/1075963776.db2.gz	UHOQGQZHVVZNEK-UHFFFAOYSA-N	1	1	423.558	1.191	20	0		HDADMO
Cn1ccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)n1	ZINC001079252378	1075967379	/nfs/dbraw/zinc/96/73/79/1075967379.db2.gz	IQHFXKXPICGSKN-FYBDHJHVSA-N	1	1	412.534	1.283	20	0		HDADMO
Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2ccccc2F)nn1	ZINC001079304016	1075968303	/nfs/dbraw/zinc/96/83/03/1075968303.db2.gz	MVRZSVYRUCQEFH-VJWNIMFCSA-N	1	1	411.481	1.462	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C(=O)OC)c2cc(F)ccc2F)CC1=O	ZINC000733143702	1075974970	/nfs/dbraw/zinc/97/49/70/1075974970.db2.gz	CVSJEHOMFXYREE-ZBQZNYHESA-N	1	1	423.460	1.628	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C(=O)OC)c2cc(F)ccc2F)CC1=O	ZINC000733143705	1075974991	/nfs/dbraw/zinc/97/49/91/1075974991.db2.gz	CVSJEHOMFXYREE-ZXYWRSMDSA-N	1	1	423.460	1.628	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)N(CCO)CCN2CCOCC2)CC[N@H+]1Cc1ccccc1	ZINC000491425120	1075975552	/nfs/dbraw/zinc/97/55/52/1075975552.db2.gz	WBGNHFBYFKAZOK-FPOVZHCZSA-N	1	1	404.555	1.376	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCC[C@@H]3C[NH+]3C[C@H](C)O[C@@H](C)C3)c2C)no1	ZINC000506851386	1075977391	/nfs/dbraw/zinc/97/73/91/1075977391.db2.gz	NPPYPYRRLARVMG-RLFYNMQTSA-N	1	1	402.499	1.645	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(C(=O)N(C)OC)cc2)CC1=O	ZINC000733147424	1075982656	/nfs/dbraw/zinc/98/26/56/1075982656.db2.gz	NGGPVHGBAMSURV-AEFFLSMTSA-N	1	1	402.495	1.591	20	0		HDADMO
CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000509345892	1075987825	/nfs/dbraw/zinc/98/78/25/1075987825.db2.gz	SRTFUBHEIJTEPX-GFCCVEGCSA-N	1	1	405.446	1.819	20	0		HDADMO
COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC2(CC1)OCCc1ccsc12	ZINC000509714269	1075988072	/nfs/dbraw/zinc/98/80/72/1075988072.db2.gz	MAHUHYKFMIWNBE-UHFFFAOYSA-N	1	1	409.552	1.223	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CN1C(=S)N=NC1c1cccs1	ZINC000733164002	1075996232	/nfs/dbraw/zinc/99/62/32/1075996232.db2.gz	JRCQEEXVRPLJHY-UHFFFAOYSA-N	1	1	408.597	1.780	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CN1C(=S)N=NC1c1cccs1	ZINC000733164002	1075996236	/nfs/dbraw/zinc/99/62/36/1075996236.db2.gz	JRCQEEXVRPLJHY-UHFFFAOYSA-N	1	1	408.597	1.780	20	0		HDADMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1	ZINC000733163973	1075996307	/nfs/dbraw/zinc/99/63/07/1075996307.db2.gz	IXXPYVIBEBNJJR-YFHOEESVSA-N	1	1	408.568	1.556	20	0		HDADMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1	ZINC000733163973	1075996310	/nfs/dbraw/zinc/99/63/10/1075996310.db2.gz	IXXPYVIBEBNJJR-YFHOEESVSA-N	1	1	408.568	1.556	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@@H+](CCO)Cc2cc(Br)cs2)C[C@@H](C)O1	ZINC000494247081	1075999337	/nfs/dbraw/zinc/99/93/37/1075999337.db2.gz	HEPLTGNUPNPSJB-UMVBOHGHSA-N	1	1	407.374	1.775	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H](O)CN(CCO)Cc2cc(Br)cs2)C[C@@H](C)O1	ZINC000494247081	1075999341	/nfs/dbraw/zinc/99/93/41/1075999341.db2.gz	HEPLTGNUPNPSJB-UMVBOHGHSA-N	1	1	407.374	1.775	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3C)C2)no1	ZINC000512255687	1076000935	/nfs/dbraw/zinc/00/09/35/1076000935.db2.gz	CIEBKSYFIUCZHK-INIZCTEOSA-N	1	1	403.487	1.360	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1	ZINC000733170673	1076001047	/nfs/dbraw/zinc/00/10/47/1076001047.db2.gz	PLNVOHYEINAOAK-TUYSUELWSA-N	1	1	414.554	1.709	20	0		HDADMO
COC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1	ZINC000733196599	1076002456	/nfs/dbraw/zinc/00/24/56/1076002456.db2.gz	DMEKHRPEWVVWHA-UWJYYQICSA-N	1	1	402.495	1.319	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1	ZINC000733196599	1076002460	/nfs/dbraw/zinc/00/24/60/1076002460.db2.gz	DMEKHRPEWVVWHA-UWJYYQICSA-N	1	1	402.495	1.319	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1	ZINC000733197938	1076003265	/nfs/dbraw/zinc/00/32/65/1076003265.db2.gz	VQQPIOVHTQXDHQ-YWMGUWEJSA-N	1	1	421.563	1.490	20	0		HDADMO
COC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1	ZINC000733183277	1076011468	/nfs/dbraw/zinc/01/14/68/1076011468.db2.gz	IYLWVBNBGQHHTJ-HRAATJIYSA-N	1	1	403.479	1.974	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1	ZINC000733183277	1076011474	/nfs/dbraw/zinc/01/14/74/1076011474.db2.gz	IYLWVBNBGQHHTJ-HRAATJIYSA-N	1	1	403.479	1.974	20	0		HDADMO
O=S(=O)(c1c[nH]c2ncccc12)N1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1	ZINC000733188391	1076013087	/nfs/dbraw/zinc/01/30/87/1076013087.db2.gz	PPYMMGQLPJYNME-UHFFFAOYSA-N	1	1	413.507	1.464	20	0		HDADMO
CO[C@@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959273	1076019198	/nfs/dbraw/zinc/01/91/98/1076019198.db2.gz	BJXLXFVZJNZIMK-WQNFENHCSA-N	1	1	413.518	1.127	20	0		HDADMO
CO[C@@H]1C[N@@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081959273	1076019203	/nfs/dbraw/zinc/01/92/03/1076019203.db2.gz	BJXLXFVZJNZIMK-WQNFENHCSA-N	1	1	413.518	1.127	20	0		HDADMO
O=C(N[C@H](Cc1cccnc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1	ZINC000733256102	1076024348	/nfs/dbraw/zinc/02/43/48/1076024348.db2.gz	CKWXXYVHCGPXAG-PWRODBHTSA-N	1	1	408.502	1.402	20	0		HDADMO
C[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1	ZINC000733294157	1076041097	/nfs/dbraw/zinc/04/10/97/1076041097.db2.gz	UYUGYSUCJXLLFF-IRXDYDNUSA-N	1	1	408.543	1.604	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](O)c2cc(OC)ccc2OC)CC1=O	ZINC000733359005	1076051596	/nfs/dbraw/zinc/05/15/96/1076051596.db2.gz	VDIIMNNFWIBVLX-FRQCXROJSA-N	1	1	419.522	1.186	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1csc(-c2ncccn2)n1	ZINC001082653383	1076061857	/nfs/dbraw/zinc/06/18/57/1076061857.db2.gz	IFSQJELUPGEELF-PPINKZGXSA-N	1	1	411.531	1.960	20	0		HDADMO
C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1nc(-c2ccco2)no1	ZINC001082658302	1076062486	/nfs/dbraw/zinc/06/24/86/1076062486.db2.gz	WDYSTXWOTGFFRS-SUKQMUEJSA-N	1	1	402.451	1.318	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1	ZINC000727174833	1076069806	/nfs/dbraw/zinc/06/98/06/1076069806.db2.gz	GBGXXYBTRQIZPW-KTVHGJBKSA-N	1	1	400.523	1.636	20	0		HDADMO
CCOC(=O)C1C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000727158250	1076071436	/nfs/dbraw/zinc/07/14/36/1076071436.db2.gz	JWGAIBIMOMAMAB-FOIQADDNSA-N	1	1	414.506	1.835	20	0		HDADMO
CCOC(=O)C1C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000727158250	1076071441	/nfs/dbraw/zinc/07/14/41/1076071441.db2.gz	JWGAIBIMOMAMAB-FOIQADDNSA-N	1	1	414.506	1.835	20	0		HDADMO
COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1	ZINC000727242934	1076088443	/nfs/dbraw/zinc/08/84/43/1076088443.db2.gz	UXEADKBEPCUGKL-YZGUTLMUSA-N	1	1	418.494	1.886	20	0		HDADMO
COC(=O)N[C@H](C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C	ZINC000733554173	1076096965	/nfs/dbraw/zinc/09/69/65/1076096965.db2.gz	JRQNMJRPOAXAKK-APWZRJJASA-N	1	1	405.495	1.816	20	0		HDADMO
COC(=O)N[C@H](C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)C	ZINC000733553858	1076096989	/nfs/dbraw/zinc/09/69/89/1076096989.db2.gz	BGWNLJSLACDPTK-IBGZPJMESA-N	1	1	405.495	1.563	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)NC(=O)N[C@H]1C	ZINC000727385089	1076102724	/nfs/dbraw/zinc/10/27/24/1076102724.db2.gz	XUDBZAOZCSIPMZ-MAUKXSAKSA-N	1	1	402.495	1.168	20	0		HDADMO
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000733586996	1076116390	/nfs/dbraw/zinc/11/63/90/1076116390.db2.gz	BJGVJEHCCKWOKJ-ZBFHGGJFSA-N	1	1	420.487	1.619	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCCO1	ZINC000727438210	1076120583	/nfs/dbraw/zinc/12/05/83/1076120583.db2.gz	ZRNCRCRAIHJSFO-CQYSBYMNSA-N	1	1	407.536	1.242	20	0		HDADMO
COC(=O)N1CCC[C@@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1	ZINC000733646891	1076140250	/nfs/dbraw/zinc/14/02/50/1076140250.db2.gz	NTVXRWZERJIDLS-LJQANCHMSA-N	1	1	419.526	1.546	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000733650372	1076141227	/nfs/dbraw/zinc/14/12/27/1076141227.db2.gz	ZGOGSEAQCMARMX-PKOBYXMFSA-N	1	1	402.495	1.766	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1F	ZINC000727609579	1076179979	/nfs/dbraw/zinc/17/99/79/1076179979.db2.gz	CMZPZMYTYDHZBM-KRWDZBQOSA-N	1	1	423.489	1.331	20	0		HDADMO
CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccc(-n4cncn4)nc3)c2C1	ZINC000727610122	1076180045	/nfs/dbraw/zinc/18/00/45/1076180045.db2.gz	JPZWWGJRUZIRCK-UHFFFAOYSA-N	1	1	405.462	1.643	20	0		HDADMO
CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccc(-n4cncn4)nc3)c2C1	ZINC000727610122	1076180047	/nfs/dbraw/zinc/18/00/47/1076180047.db2.gz	JPZWWGJRUZIRCK-UHFFFAOYSA-N	1	1	405.462	1.643	20	0		HDADMO
Cc1noc(CCCNC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000727600182	1076186383	/nfs/dbraw/zinc/18/63/83/1076186383.db2.gz	CGHUAAOIOVFREI-UHFFFAOYSA-N	1	1	410.519	1.553	20	0		HDADMO
COC(=O)[C@H]1CC12CC[NH+](CN1C(=O)N[C@](C)(Cc3ccc(OC)cc3)C1=O)CC2	ZINC000733791039	1076208504	/nfs/dbraw/zinc/20/85/04/1076208504.db2.gz	HXPLYFPQHKZAMB-DYESRHJHSA-N	1	1	415.490	1.781	20	0		HDADMO
COC(=O)[C@H]1CC12CC[NH+](Cn1c3ccc(S(=O)(=O)N(C)C)cc3oc1=O)CC2	ZINC000733792443	1076209003	/nfs/dbraw/zinc/20/90/03/1076209003.db2.gz	OZFRFRAOSZGCRL-CQSZACIVSA-N	1	1	423.491	1.077	20	0		HDADMO
COC(=O)[C@@H]1CC12CC[NH+](CN1C(=O)C(=O)N(CCc3cccs3)C1=O)CC2	ZINC000733791729	1076209006	/nfs/dbraw/zinc/20/90/06/1076209006.db2.gz	CRZILPMKYFHXMS-AWEZNQCLSA-N	1	1	405.476	1.314	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000727702927	1076210144	/nfs/dbraw/zinc/21/01/44/1076210144.db2.gz	GJDQEKXNWSDCSS-HNNXBMFYSA-N	1	1	400.570	1.334	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C(C3CC3)C3CC3)C2=O)c1	ZINC000733794064	1076214702	/nfs/dbraw/zinc/21/47/02/1076214702.db2.gz	BSCGPSXCEWTBOJ-OAQYLSRUSA-N	1	1	400.479	1.614	20	0		HDADMO
O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000727755670	1076229242	/nfs/dbraw/zinc/22/92/42/1076229242.db2.gz	AYVLLBDYXVZIDJ-IBGZPJMESA-N	1	1	416.503	1.230	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)n1C	ZINC000733878527	1076236755	/nfs/dbraw/zinc/23/67/55/1076236755.db2.gz	KOPIBAWPFHYTAO-UHFFFAOYSA-N	1	1	409.487	1.340	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1	ZINC000733882211	1076238416	/nfs/dbraw/zinc/23/84/16/1076238416.db2.gz	FKDFKJTXUZPKPD-MRXNPFEDSA-N	1	1	402.568	1.542	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000533827101	1076244864	/nfs/dbraw/zinc/24/48/64/1076244864.db2.gz	NCAVDGSLMGONMH-HXUWFJFHSA-N	1	1	407.518	1.813	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000533827101	1076244867	/nfs/dbraw/zinc/24/48/67/1076244867.db2.gz	NCAVDGSLMGONMH-HXUWFJFHSA-N	1	1	407.518	1.813	20	0		HDADMO
Cc1cc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000533874382	1076246066	/nfs/dbraw/zinc/24/60/66/1076246066.db2.gz	CJCVVSIVQXPPRN-DOTOQJQBSA-N	1	1	403.508	1.859	20	0		HDADMO
Cc1cc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000533874382	1076246068	/nfs/dbraw/zinc/24/60/68/1076246068.db2.gz	CJCVVSIVQXPPRN-DOTOQJQBSA-N	1	1	403.508	1.859	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1	ZINC000534542071	1076248524	/nfs/dbraw/zinc/24/85/24/1076248524.db2.gz	PYKNBSUVSGXWBK-SFHVURJKSA-N	1	1	420.560	1.669	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1	ZINC000534542071	1076248526	/nfs/dbraw/zinc/24/85/26/1076248526.db2.gz	PYKNBSUVSGXWBK-SFHVURJKSA-N	1	1	420.560	1.669	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000535296570	1076252147	/nfs/dbraw/zinc/25/21/47/1076252147.db2.gz	YVDUGVOPRVRXJM-HXUWFJFHSA-N	1	1	414.531	1.889	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000535296570	1076252154	/nfs/dbraw/zinc/25/21/54/1076252154.db2.gz	YVDUGVOPRVRXJM-HXUWFJFHSA-N	1	1	414.531	1.889	20	0		HDADMO
C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1	ZINC000144227172	1076254443	/nfs/dbraw/zinc/25/44/43/1076254443.db2.gz	MPNQPRINBPIWAB-HNNXBMFYSA-N	1	1	403.483	1.168	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000144321084	1076256175	/nfs/dbraw/zinc/25/61/75/1076256175.db2.gz	KNBQZPIFBNZDNN-CVEARBPZSA-N	1	1	416.522	1.380	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000144321084	1076256177	/nfs/dbraw/zinc/25/61/77/1076256177.db2.gz	KNBQZPIFBNZDNN-CVEARBPZSA-N	1	1	416.522	1.380	20	0		HDADMO
O=C(OCC(F)(F)F)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000727802413	1076258943	/nfs/dbraw/zinc/25/89/43/1076258943.db2.gz	SRDAXJZWPNYABC-HUUCEWRRSA-N	1	1	407.433	1.863	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1	ZINC000727807500	1076259563	/nfs/dbraw/zinc/25/95/63/1076259563.db2.gz	XVNJKOOAZFLGHI-UHFFFAOYSA-N	1	1	418.563	1.790	20	0		HDADMO
CCCC[N@@H+](C)CC1CCN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1	ZINC000733899208	1076260051	/nfs/dbraw/zinc/26/00/51/1076260051.db2.gz	UXMYNLPJPQPEIJ-UHFFFAOYSA-N	1	1	421.586	1.962	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000727838896	1076266643	/nfs/dbraw/zinc/26/66/43/1076266643.db2.gz	SWEBZOZZKMMRIK-LSDHHAIUSA-N	1	1	404.964	1.405	20	0		HDADMO
COCCN1CCC[C@H]1C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000727838896	1076266647	/nfs/dbraw/zinc/26/66/47/1076266647.db2.gz	SWEBZOZZKMMRIK-LSDHHAIUSA-N	1	1	404.964	1.405	20	0		HDADMO
Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CN3C(=O)NC4(CCOCC4)C3=O)C2)n1	ZINC000727819406	1076267140	/nfs/dbraw/zinc/26/71/40/1076267140.db2.gz	VRNAGKYVVMKEBW-HNNXBMFYSA-N	1	1	401.467	1.099	20	0		HDADMO
Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CN3C(=O)NC4(CCOCC4)C3=O)C2)n1	ZINC000727819406	1076267146	/nfs/dbraw/zinc/26/71/46/1076267146.db2.gz	VRNAGKYVVMKEBW-HNNXBMFYSA-N	1	1	401.467	1.099	20	0		HDADMO
CNC(=O)Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1	ZINC001085204946	1076273946	/nfs/dbraw/zinc/27/39/46/1076273946.db2.gz	SLTCBKUIODUKSL-ZHCJQAHYSA-N	1	1	401.511	1.477	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000727865581	1076275426	/nfs/dbraw/zinc/27/54/26/1076275426.db2.gz	ZKLACIXYCMQKJH-AWEZNQCLSA-N	1	1	403.932	1.431	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000727940400	1076291558	/nfs/dbraw/zinc/29/15/58/1076291558.db2.gz	HUJDFGQIKLXIPC-UHFFFAOYSA-N	1	1	411.547	1.191	20	0		HDADMO
CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCCOc2cccnc2)CC1	ZINC000734066403	1076300658	/nfs/dbraw/zinc/30/06/58/1076300658.db2.gz	MZDVFCLXNUXYFH-UHFFFAOYSA-N	1	1	407.515	1.702	20	0		HDADMO
CN(C)C(=O)CNC(=S)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000727979861	1076302781	/nfs/dbraw/zinc/30/27/81/1076302781.db2.gz	YLIPUDAOSZODQE-UHFFFAOYSA-N	1	1	408.568	1.229	20	0		HDADMO
COCC[NH+]1CCN(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)CC1	ZINC000022859476	1076303727	/nfs/dbraw/zinc/30/37/27/1076303727.db2.gz	UXONSVSEHZQFQV-QFIPXVFZSA-N	1	1	405.539	1.925	20	0		HDADMO
COc1ccccc1OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1	ZINC001083148685	1076307037	/nfs/dbraw/zinc/30/70/37/1076307037.db2.gz	AIIHISGNAFGNFE-RGIWDCGLSA-N	1	1	414.502	1.409	20	0		HDADMO
COc1ccccc1OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1	ZINC001083148685	1076307038	/nfs/dbraw/zinc/30/70/38/1076307038.db2.gz	AIIHISGNAFGNFE-RGIWDCGLSA-N	1	1	414.502	1.409	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1	ZINC000728023536	1076308150	/nfs/dbraw/zinc/30/81/50/1076308150.db2.gz	GUTVFIOBKVSFQB-BDSVNUEJSA-N	1	1	422.595	1.257	20	0		HDADMO
CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1=O	ZINC000734106189	1076308379	/nfs/dbraw/zinc/30/83/79/1076308379.db2.gz	QOHDXLWOHFFQPB-IBGZPJMESA-N	1	1	420.513	1.964	20	0		HDADMO
C[N@@H+](CCOc1cccc(CNC(=O)CCN2CCOCC2)c1)C1CCOCC1	ZINC000728030253	1076311974	/nfs/dbraw/zinc/31/19/74/1076311974.db2.gz	COCWUWCVEPRSEO-UHFFFAOYSA-N	1	1	405.539	1.515	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]21	ZINC001083151573	1076317097	/nfs/dbraw/zinc/31/70/97/1076317097.db2.gz	GIOBEIJWNKBQCZ-ALGQRKQJSA-N	1	1	404.551	1.920	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@@H+](CCc3ccccc3F)C[C@@H]21	ZINC001083151512	1076317135	/nfs/dbraw/zinc/31/71/35/1076317135.db2.gz	CRACJAPFERZTMH-SQEGATDGSA-N	1	1	404.482	1.331	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@H+](CCc3ccccc3F)C[C@@H]21	ZINC001083151512	1076317139	/nfs/dbraw/zinc/31/71/39/1076317139.db2.gz	CRACJAPFERZTMH-SQEGATDGSA-N	1	1	404.482	1.331	20	0		HDADMO
Cc1cc(C)cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c1	ZINC001083151533	1076317162	/nfs/dbraw/zinc/31/71/62/1076317162.db2.gz	DNANGWPSBSCMGK-RTOMLYRKSA-N	1	1	400.519	1.767	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)C1	ZINC000728041936	1076318005	/nfs/dbraw/zinc/31/80/05/1076318005.db2.gz	FNQXUJUMPNBCJB-DRSNIGMVSA-N	1	1	416.522	1.583	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)C1	ZINC000728041936	1076318009	/nfs/dbraw/zinc/31/80/09/1076318009.db2.gz	FNQXUJUMPNBCJB-DRSNIGMVSA-N	1	1	416.522	1.583	20	0		HDADMO
Cc1ccccc1[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000728042590	1076318077	/nfs/dbraw/zinc/31/80/77/1076318077.db2.gz	MJXMQNMUQILCQM-VGSWGCGISA-N	1	1	414.506	1.290	20	0		HDADMO
Cc1ccccc1[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O	ZINC000728042590	1076318078	/nfs/dbraw/zinc/31/80/78/1076318078.db2.gz	MJXMQNMUQILCQM-VGSWGCGISA-N	1	1	414.506	1.290	20	0		HDADMO
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000728055158	1076322896	/nfs/dbraw/zinc/32/28/96/1076322896.db2.gz	KVMLMQKKKHZIQZ-KRWDZBQOSA-N	1	1	419.522	1.957	20	0		HDADMO
CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(=O)OC(C)(C)C	ZINC000804255686	1076344998	/nfs/dbraw/zinc/34/49/98/1076344998.db2.gz	FYNFGENAIILLPX-MSOLQXFVSA-N	1	1	418.538	1.921	20	0		HDADMO
CCN(CCNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C(=O)OC(C)(C)C	ZINC000804255692	1076345026	/nfs/dbraw/zinc/34/50/26/1076345026.db2.gz	GFJKHFYZISANNY-UHFFFAOYSA-N	1	1	412.575	1.938	20	0		HDADMO
Cc1cccc(C[NH+]2CCN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CC2)c1	ZINC000027104511	1076358393	/nfs/dbraw/zinc/35/83/93/1076358393.db2.gz	GFEUPRZLCPDKAH-UHFFFAOYSA-N	1	1	406.486	1.733	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000027343839	1076358910	/nfs/dbraw/zinc/35/89/10/1076358910.db2.gz	LFTMQDVKGWQGTE-QGZVFWFLSA-N	1	1	407.536	1.207	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000027343839	1076358914	/nfs/dbraw/zinc/35/89/14/1076358914.db2.gz	LFTMQDVKGWQGTE-QGZVFWFLSA-N	1	1	407.536	1.207	20	0		HDADMO
Cc1cc(NC(=O)CC[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)no1	ZINC000028638983	1076361460	/nfs/dbraw/zinc/36/14/60/1076361460.db2.gz	AJTYAERFXXVZFU-UHFFFAOYSA-N	1	1	411.484	1.313	20	0		HDADMO
Cc1cc(NC(=O)CC[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)no1	ZINC000028638983	1076361465	/nfs/dbraw/zinc/36/14/65/1076361465.db2.gz	AJTYAERFXXVZFU-UHFFFAOYSA-N	1	1	411.484	1.313	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)c1	ZINC000728173155	1076364358	/nfs/dbraw/zinc/36/43/58/1076364358.db2.gz	PVMJQDUYCXYRNS-HXOBKFHXSA-N	1	1	422.485	1.983	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)c1	ZINC000728173155	1076364364	/nfs/dbraw/zinc/36/43/64/1076364364.db2.gz	PVMJQDUYCXYRNS-HXOBKFHXSA-N	1	1	422.485	1.983	20	0		HDADMO
Cn1cc(-c2cc(C[N@@H+]3CC[C@@H]4CN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)[C@@H]4C3)on2)cn1	ZINC001084531264	1076367543	/nfs/dbraw/zinc/36/75/43/1076367543.db2.gz	AQXLIFMBSITTJT-QTKARHSQSA-N	1	1	409.490	1.531	20	0		HDADMO
Cn1cc(-c2cc(C[N@H+]3CC[C@@H]4CN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)[C@@H]4C3)on2)cn1	ZINC001084531264	1076367552	/nfs/dbraw/zinc/36/75/52/1076367552.db2.gz	AQXLIFMBSITTJT-QTKARHSQSA-N	1	1	409.490	1.531	20	0		HDADMO
COCc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)c1	ZINC001084540037	1076370331	/nfs/dbraw/zinc/37/03/31/1076370331.db2.gz	QVNDJSXZELTXTD-CDJZJNNCSA-N	1	1	400.519	1.917	20	0		HDADMO
Cc1ccccc1OCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1	ZINC001084540421	1076370447	/nfs/dbraw/zinc/37/04/47/1076370447.db2.gz	BTKRHDVETGYSSB-VRRLNDPFSA-N	1	1	400.519	1.958	20	0		HDADMO
CC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1	ZINC000729884635	1076376365	/nfs/dbraw/zinc/37/63/65/1076376365.db2.gz	QHWXVQHUVMXAEA-UHFFFAOYSA-N	1	1	415.538	1.142	20	0		HDADMO
CCOCC[NH+]1CCN(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)CC1	ZINC000729994460	1076409976	/nfs/dbraw/zinc/40/99/76/1076409976.db2.gz	FLBWTFPOPSTQCW-UHFFFAOYSA-N	1	1	420.529	1.331	20	0		HDADMO
COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1	ZINC000730022003	1076411935	/nfs/dbraw/zinc/41/19/35/1076411935.db2.gz	LPGGXNSTOAOFLD-ZDUSSCGKSA-N	1	1	409.430	1.577	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1	ZINC000730022003	1076411944	/nfs/dbraw/zinc/41/19/44/1076411944.db2.gz	LPGGXNSTOAOFLD-ZDUSSCGKSA-N	1	1	409.430	1.577	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)C1	ZINC000730036388	1076414345	/nfs/dbraw/zinc/41/43/45/1076414345.db2.gz	ROFLBKGELURHEY-LPHOPBHVSA-N	1	1	402.495	1.411	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1	ZINC000730083446	1076431294	/nfs/dbraw/zinc/43/12/94/1076431294.db2.gz	LSCOPBSSDYILTB-QZTJIDSGSA-N	1	1	413.515	1.184	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1Cl	ZINC000730087650	1076441509	/nfs/dbraw/zinc/44/15/09/1076441509.db2.gz	GQNNZXQPSTXDFE-UHFFFAOYSA-N	1	1	403.932	1.119	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl	ZINC000730087311	1076441921	/nfs/dbraw/zinc/44/19/21/1076441921.db2.gz	UNHDFPCLPQXQEQ-CVEARBPZSA-N	1	1	415.943	1.262	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730127294	1076459021	/nfs/dbraw/zinc/45/90/21/1076459021.db2.gz	NRGFDCGEKPONPL-JKSUJKDBSA-N	1	1	411.547	1.238	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1	ZINC000730129940	1076459589	/nfs/dbraw/zinc/45/95/89/1076459589.db2.gz	GJVPDKUDKJGJFF-CJNGLKHVSA-N	1	1	404.433	1.554	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)C2=O)cc1	ZINC000730252011	1076497621	/nfs/dbraw/zinc/49/76/21/1076497621.db2.gz	KIUDUEXRXOVUSH-UWJYYQICSA-N	1	1	402.495	1.354	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[N@H+]3CCC[C@@H](CNC(C)=O)C3)C2=O)cc1	ZINC000730252011	1076497624	/nfs/dbraw/zinc/49/76/24/1076497624.db2.gz	KIUDUEXRXOVUSH-UWJYYQICSA-N	1	1	402.495	1.354	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)C2=O)cc1	ZINC000730252005	1076497676	/nfs/dbraw/zinc/49/76/76/1076497676.db2.gz	KIUDUEXRXOVUSH-DYESRHJHSA-N	1	1	402.495	1.354	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@H](CNC(C)=O)C3)C2=O)cc1	ZINC000730252005	1076497678	/nfs/dbraw/zinc/49/76/78/1076497678.db2.gz	KIUDUEXRXOVUSH-DYESRHJHSA-N	1	1	402.495	1.354	20	0		HDADMO
C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000730261594	1076502632	/nfs/dbraw/zinc/50/26/32/1076502632.db2.gz	OAMHNNQAEJQOPP-XPIZARPCSA-N	1	1	402.495	1.196	20	0		HDADMO
C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000730261594	1076502640	/nfs/dbraw/zinc/50/26/40/1076502640.db2.gz	OAMHNNQAEJQOPP-XPIZARPCSA-N	1	1	402.495	1.196	20	0		HDADMO
CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1	ZINC000730261752	1076502710	/nfs/dbraw/zinc/50/27/10/1076502710.db2.gz	BJPGMHCUSYOGAO-AWEZNQCLSA-N	1	1	423.514	1.261	20	0		HDADMO
C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000730261593	1076502741	/nfs/dbraw/zinc/50/27/41/1076502741.db2.gz	OAMHNNQAEJQOPP-WJPUGNRLSA-N	1	1	402.495	1.196	20	0		HDADMO
C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000730261593	1076502751	/nfs/dbraw/zinc/50/27/51/1076502751.db2.gz	OAMHNNQAEJQOPP-WJPUGNRLSA-N	1	1	402.495	1.196	20	0		HDADMO
C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730261480	1076503190	/nfs/dbraw/zinc/50/31/90/1076503190.db2.gz	KYVRLBUERFZILC-PBHICJAKSA-N	1	1	408.524	1.331	20	0		HDADMO
C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000730261480	1076503195	/nfs/dbraw/zinc/50/31/95/1076503195.db2.gz	KYVRLBUERFZILC-PBHICJAKSA-N	1	1	408.524	1.331	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730262565	1076504086	/nfs/dbraw/zinc/50/40/86/1076504086.db2.gz	WHPWCFPDFYAAOM-CVEARBPZSA-N	1	1	420.510	1.552	20	0		HDADMO
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000730262565	1076504091	/nfs/dbraw/zinc/50/40/91/1076504091.db2.gz	WHPWCFPDFYAAOM-CVEARBPZSA-N	1	1	420.510	1.552	20	0		HDADMO
CCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000730320774	1076537924	/nfs/dbraw/zinc/53/79/24/1076537924.db2.gz	WSTWDSPHHILMDE-GOSISDBHSA-N	1	1	419.547	1.576	20	0		HDADMO
COc1cccc([C@@H]2C[C@H]2C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1	ZINC000730350221	1076548119	/nfs/dbraw/zinc/54/81/19/1076548119.db2.gz	XPEIXZGIYZZFPE-HSALFYBXSA-N	1	1	404.507	1.815	20	0		HDADMO
CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000730378322	1076552258	/nfs/dbraw/zinc/55/22/58/1076552258.db2.gz	NFYJOTSXBMMJCM-MRXNPFEDSA-N	1	1	412.575	1.985	20	0		HDADMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C[C@H](C)O1	ZINC000730384933	1076552306	/nfs/dbraw/zinc/55/23/06/1076552306.db2.gz	IOPPESFGFNZTRA-GASCZTMLSA-N	1	1	417.485	1.954	20	0		HDADMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C[C@H](C)O1	ZINC000730384933	1076552311	/nfs/dbraw/zinc/55/23/11/1076552311.db2.gz	IOPPESFGFNZTRA-GASCZTMLSA-N	1	1	417.485	1.954	20	0		HDADMO
C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1	ZINC000730550547	1076599798	/nfs/dbraw/zinc/59/97/98/1076599798.db2.gz	XJNYZMHQHPCBQL-QFBILLFUSA-N	1	1	403.523	1.873	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1	ZINC000730580694	1076602332	/nfs/dbraw/zinc/60/23/32/1076602332.db2.gz	MCVRAWUEGUMCIN-UHFFFAOYSA-N	1	1	411.547	1.238	20	0		HDADMO
CN(C(=O)OC(C)(C)C)C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1	ZINC000730571122	1076605806	/nfs/dbraw/zinc/60/58/06/1076605806.db2.gz	TXUFWPUHWDXRIC-UHFFFAOYSA-N	1	1	408.543	1.399	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1	ZINC000730575200	1076607624	/nfs/dbraw/zinc/60/76/24/1076607624.db2.gz	NYCNOBYKJVYAQZ-ZDUSSCGKSA-N	1	1	417.988	1.840	20	0		HDADMO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC1	ZINC000730593902	1076610578	/nfs/dbraw/zinc/61/05/78/1076610578.db2.gz	VDVVLOJMWCCZQA-OAHLLOKOSA-N	1	1	401.536	1.866	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC1	ZINC000730593902	1076610583	/nfs/dbraw/zinc/61/05/83/1076610583.db2.gz	VDVVLOJMWCCZQA-OAHLLOKOSA-N	1	1	401.536	1.866	20	0		HDADMO
COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000730813178	1076667692	/nfs/dbraw/zinc/66/76/92/1076667692.db2.gz	ZLQNHJJVDVODMB-RYUDHWBXSA-N	1	1	423.304	1.738	20	0		HDADMO
COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000730813178	1076667696	/nfs/dbraw/zinc/66/76/96/1076667696.db2.gz	ZLQNHJJVDVODMB-RYUDHWBXSA-N	1	1	423.304	1.738	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1	ZINC000730940100	1076699052	/nfs/dbraw/zinc/69/90/52/1076699052.db2.gz	VRVMXKQRACJNOK-QGZVFWFLSA-N	1	1	406.483	1.912	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)COc3ccccc3C=O)c2)C1	ZINC000730970647	1076701703	/nfs/dbraw/zinc/70/17/03/1076701703.db2.gz	LOSKXFXWJXCCAJ-IBGZPJMESA-N	1	1	409.486	1.892	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F	ZINC000731007466	1076708784	/nfs/dbraw/zinc/70/87/84/1076708784.db2.gz	QNZBSIQXHYMWGY-CYBMUJFWSA-N	1	1	417.478	1.246	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccnc(-n4ccnc4)c3)c2)C1	ZINC000731008558	1076709639	/nfs/dbraw/zinc/70/96/39/1076709639.db2.gz	INLZOAJZNLIDSE-FQEVSTJZSA-N	1	1	418.501	1.895	20	0		HDADMO
C[N@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1	ZINC000731024855	1076712825	/nfs/dbraw/zinc/71/28/25/1076712825.db2.gz	IOHWFKFAMYGEIA-AWEZNQCLSA-N	1	1	415.943	1.433	20	0		HDADMO
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl	ZINC000731033647	1076714769	/nfs/dbraw/zinc/71/47/69/1076714769.db2.gz	CSKYNKWRXNYCSM-NSHDSACASA-N	1	1	412.737	1.887	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl	ZINC000731033647	1076714772	/nfs/dbraw/zinc/71/47/72/1076714772.db2.gz	CSKYNKWRXNYCSM-NSHDSACASA-N	1	1	412.737	1.887	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1	ZINC000731159060	1076739306	/nfs/dbraw/zinc/73/93/06/1076739306.db2.gz	CKHLZCVNODDKRX-GBESFXJTSA-N	1	1	409.644	1.658	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)CC1	ZINC000731181532	1076745515	/nfs/dbraw/zinc/74/55/15/1076745515.db2.gz	OTMQBGJRMCHMSE-UHFFFAOYSA-N	1	1	410.522	1.674	20	0		HDADMO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)CC1	ZINC000731212232	1076746932	/nfs/dbraw/zinc/74/69/32/1076746932.db2.gz	ALUGVIATZGAYFW-GOSISDBHSA-N	1	1	422.570	1.694	20	0		HDADMO
COCCN1CCN(C)C2(CCN(c3nc(N4CCCCC4)cc[nH+]3)CC2)C1=O	ZINC001164638253	719277278	/nfs/dbraw/zinc/27/72/78/719277278.db2.gz	FDRRJUPOWXJTFU-UHFFFAOYSA-N	1	1	402.543	1.226	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)n2)CC1	ZINC001164656947	719295034	/nfs/dbraw/zinc/29/50/34/719295034.db2.gz	ZRZHRKJSQCNUTB-ZJOUEHCJSA-N	1	1	410.522	1.576	20	0		HDADMO
CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)nc2N1C1CCCC1	ZINC001164667661	719393276	/nfs/dbraw/zinc/39/32/76/719393276.db2.gz	OJQBKBHHYYYXSL-NXHRZFHOSA-N	1	1	400.527	1.500	20	0		HDADMO
CNC(=O)CO[C@@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2	ZINC001164677671	719554916	/nfs/dbraw/zinc/55/49/16/719554916.db2.gz	QYZIOLSHYLBSMD-IBGZPJMESA-N	1	1	418.538	1.445	20	0		HDADMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c(OC)cccc21	ZINC001164702677	719845322	/nfs/dbraw/zinc/84/53/22/719845322.db2.gz	OWBRSESURXIJOM-BTYIYWSLSA-N	1	1	400.479	1.871	20	0		HDADMO
c1csc(CN2CCOC3(CCN(c4cncc(N5CC[NH2+]CC5)n4)CC3)C2)c1	ZINC001164698244	719893395	/nfs/dbraw/zinc/89/33/95/719893395.db2.gz	QEYGSIOBOHVEOE-UHFFFAOYSA-N	1	1	414.579	1.819	20	0		HDADMO
Cc1nc(N2CCCC2)cc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)[nH+]1	ZINC001164703219	719935039	/nfs/dbraw/zinc/93/50/39/719935039.db2.gz	JEZDBAINVPICKQ-UHFFFAOYSA-N	1	1	424.553	1.069	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)nc3cnccc31)C2	ZINC001164814969	720131160	/nfs/dbraw/zinc/13/11/60/720131160.db2.gz	UUOVPSYJCVVPJS-AOMKIAJQSA-N	1	1	411.506	1.996	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)C2	ZINC001164819772	720158075	/nfs/dbraw/zinc/15/80/75/720158075.db2.gz	YBXKESYFSSRVRJ-HTAPYJJXSA-N	1	1	413.522	1.940	20	0		HDADMO
Cn1nnc2c1CCN(c1nc(Cl)nc3[nH]cnc31)[C@@H]2COCC[NH+]1CCCC1	ZINC001164715015	720166559	/nfs/dbraw/zinc/16/65/59/720166559.db2.gz	SBGUTRJQNMPRBK-CYBMUJFWSA-N	1	1	417.905	1.351	20	0		HDADMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)C2	ZINC001164819924	720171791	/nfs/dbraw/zinc/17/17/91/720171791.db2.gz	YYJBGRDJLAPVSM-DYESRHJHSA-N	1	1	420.579	1.707	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1	ZINC001164720286	720226750	/nfs/dbraw/zinc/22/67/50/720226750.db2.gz	YAJQTTJKIFRCDJ-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1	ZINC001164720286	720226753	/nfs/dbraw/zinc/22/67/53/720226753.db2.gz	YAJQTTJKIFRCDJ-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CCc1cc2c(ncnc2N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)s1	ZINC001164718603	720245239	/nfs/dbraw/zinc/24/52/39/720245239.db2.gz	FXNZAPRCNRGRPV-HXUWFJFHSA-N	1	1	403.552	1.919	20	0		HDADMO
CCc1cc2c(ncnc2N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)s1	ZINC001164718603	720245250	/nfs/dbraw/zinc/24/52/50/720245250.db2.gz	FXNZAPRCNRGRPV-HXUWFJFHSA-N	1	1	403.552	1.919	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccs4)nn3)C2)C1	ZINC001164720493	720264192	/nfs/dbraw/zinc/26/41/92/720264192.db2.gz	XLRFWJGGKXMJCH-FQEVSTJZSA-N	1	1	401.536	1.870	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccs4)nn3)C2)C1	ZINC001164720493	720264204	/nfs/dbraw/zinc/26/42/04/720264204.db2.gz	XLRFWJGGKXMJCH-FQEVSTJZSA-N	1	1	401.536	1.870	20	0		HDADMO
CCOC(=O)c1nc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)ccc1Cl	ZINC001164720755	720276052	/nfs/dbraw/zinc/27/60/52/720276052.db2.gz	CYMDTAQBMGBOAR-HXUWFJFHSA-N	1	1	424.929	1.577	20	0		HDADMO
CCOC(=O)c1nc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ccc1Cl	ZINC001164720755	720276066	/nfs/dbraw/zinc/27/60/66/720276066.db2.gz	CYMDTAQBMGBOAR-HXUWFJFHSA-N	1	1	424.929	1.577	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccccn4)n3)C2)C1	ZINC001164722801	720283134	/nfs/dbraw/zinc/28/31/34/720283134.db2.gz	RZTNERPWOPJJHO-QFIPXVFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccccn4)n3)C2)C1	ZINC001164722801	720283157	/nfs/dbraw/zinc/28/31/57/720283157.db2.gz	RZTNERPWOPJJHO-QFIPXVFZSA-N	1	1	410.522	1.512	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccccc4F)nn3)C2)C1	ZINC001164723277	720296727	/nfs/dbraw/zinc/29/67/27/720296727.db2.gz	VYMWLJHVVBTWTK-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccccc4F)nn3)C2)C1	ZINC001164723277	720296739	/nfs/dbraw/zinc/29/67/39/720296739.db2.gz	VYMWLJHVVBTWTK-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
Cn1cnc2c1nc(N1CC[C@@H]3[C@H]1CC[N@H+]3Cc1cccnc1)nc2N1CCOCC1	ZINC001164727847	720361224	/nfs/dbraw/zinc/36/12/24/720361224.db2.gz	UQXUYBMKNFKTFE-QZTJIDSGSA-N	1	1	420.521	1.448	20	0		HDADMO
CN1c2cnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2N2CCC[C@H]2C1=O	ZINC001164721624	720388657	/nfs/dbraw/zinc/38/86/57/720388657.db2.gz	ADEPRZRUWPQUNS-KSZLIROESA-N	1	1	405.506	1.670	20	0		HDADMO
c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1	ZINC001164735403	720425872	/nfs/dbraw/zinc/42/58/72/720425872.db2.gz	XAAUZBKOTRNRGA-VQTJNVASSA-N	1	1	407.522	1.165	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(C(N)=O)n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164834293	720528705	/nfs/dbraw/zinc/52/87/05/720528705.db2.gz	DHFGMARDIVUDCH-OFQRWUPVSA-N	1	1	403.918	1.803	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164739567	720619518	/nfs/dbraw/zinc/61/95/18/720619518.db2.gz	GADVFCLUGOQXNV-NWDGAFQWSA-N	1	1	424.839	1.511	20	0		HDADMO
NC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164739567	720619539	/nfs/dbraw/zinc/61/95/39/720619539.db2.gz	GADVFCLUGOQXNV-NWDGAFQWSA-N	1	1	424.839	1.511	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(=O)NC4CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164839723	720623258	/nfs/dbraw/zinc/62/32/58/720623258.db2.gz	OCJICTWODFCZQF-XKGZKEIXSA-N	1	1	409.538	1.943	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)NC4CC4)nn3)CC[C@@H]21	ZINC001164839716	720623428	/nfs/dbraw/zinc/62/34/28/720623428.db2.gz	OCJICTWODFCZQF-KPFFTGBYSA-N	1	1	409.538	1.943	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164742972	720627805	/nfs/dbraw/zinc/62/78/05/720627805.db2.gz	NTKUUUSDGQHTDH-JKSUJKDBSA-N	1	1	420.473	1.938	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164742970	720628063	/nfs/dbraw/zinc/62/80/63/720628063.db2.gz	NTKUUUSDGQHTDH-HZPDHXFCSA-N	1	1	420.473	1.938	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1S(N)(=O)=O)CC2	ZINC001164841940	720666315	/nfs/dbraw/zinc/66/63/15/720666315.db2.gz	RDXKRDCYATXJMV-GOSISDBHSA-N	1	1	416.547	1.989	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1OCC	ZINC001164739580	720691915	/nfs/dbraw/zinc/69/19/15/720691915.db2.gz	NUUDFURNWZWQRQ-HOTGVXAUSA-N	1	1	413.478	1.789	20	0		HDADMO
CCOC(=O)c1cc2cccnc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737621	720693153	/nfs/dbraw/zinc/69/31/53/720693153.db2.gz	GPNVMDFIYNWUFZ-SJORKVTESA-N	1	1	420.473	1.938	20	0		HDADMO
COc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164736835	720721828	/nfs/dbraw/zinc/72/18/28/720721828.db2.gz	BLKHJPJVAOZVSS-IRXDYDNUSA-N	1	1	405.462	1.679	20	0		HDADMO
COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164740380	720738449	/nfs/dbraw/zinc/73/84/49/720738449.db2.gz	KKDHYMRMTCWVHD-IAFRVXFPSA-N	1	1	420.473	1.881	20	0		HDADMO
O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1	ZINC001164737177	720770003	/nfs/dbraw/zinc/77/00/03/720770003.db2.gz	AJETZLHWFADKPD-RTBURBONSA-N	1	1	404.474	1.424	20	0		HDADMO
O=C(NC1CCCC1)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1	ZINC001164737447	720784301	/nfs/dbraw/zinc/78/43/01/720784301.db2.gz	BKCVMYRBNJFAGR-IAGOWNOFSA-N	1	1	409.494	1.281	20	0		HDADMO
c1nc2c(ncnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1-c1ccccc1	ZINC001164751991	720797511	/nfs/dbraw/zinc/79/75/11/720797511.db2.gz	YIYQFHRCTHKXBP-ZWKOTPCHSA-N	1	1	414.473	1.947	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164741728	720806463	/nfs/dbraw/zinc/80/64/63/720806463.db2.gz	BQVQHQVIXJKXPU-KGLIPLIRSA-N	1	1	417.901	1.402	20	0		HDADMO
CCCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164741730	720806814	/nfs/dbraw/zinc/80/68/14/720806814.db2.gz	BQVQHQVIXJKXPU-UONOGXRCSA-N	1	1	417.901	1.402	20	0		HDADMO
CS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164740256	720820878	/nfs/dbraw/zinc/82/08/78/720820878.db2.gz	JWOMVYIIBVPASN-OKZBNKHCSA-N	1	1	416.551	1.456	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cn1	ZINC001164738796	720826209	/nfs/dbraw/zinc/82/62/09/720826209.db2.gz	GSUSEGBFHOXODR-ZHALLVOQSA-N	1	1	411.510	1.624	20	0		HDADMO
CCOC(=O)c1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164744495	720826644	/nfs/dbraw/zinc/82/66/44/720826644.db2.gz	URUSGJGQUSKCLO-JENIJYKNSA-N	1	1	411.510	1.624	20	0		HDADMO
C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164744533	720830208	/nfs/dbraw/zinc/83/02/08/720830208.db2.gz	UYFQGGFGGFBPPS-BZZMCLGOSA-N	1	1	422.537	1.893	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21	ZINC001164743813	720830334	/nfs/dbraw/zinc/83/03/34/720830334.db2.gz	SNAFRPGUSLSLCT-HSALFYBXSA-N	1	1	419.533	1.904	20	0		HDADMO
O=C1COc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2N1	ZINC001164745935	720832806	/nfs/dbraw/zinc/83/28/06/720832806.db2.gz	OGYQYNCVOHCRPN-GVDBMIGSSA-N	1	1	409.494	1.383	20	0		HDADMO
C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164747840	720833292	/nfs/dbraw/zinc/83/32/92/720833292.db2.gz	RSOMONKAMYKFOX-RKTXRCNFSA-N	1	1	408.510	1.503	20	0		HDADMO
C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164747832	720833736	/nfs/dbraw/zinc/83/37/36/720833736.db2.gz	RSOMONKAMYKFOX-QMCVQRASSA-N	1	1	408.510	1.503	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164851467	720836758	/nfs/dbraw/zinc/83/67/58/720836758.db2.gz	HNFOVAVMKKVVJE-QFBILLFUSA-N	1	1	414.506	1.980	20	0		HDADMO
Clc1[n-][nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncnc1-2	ZINC001164745750	720836890	/nfs/dbraw/zinc/83/68/90/720836890.db2.gz	NEKJRCYXVGEYCX-QLFBSQMISA-N	1	1	413.917	1.977	20	0		HDADMO
CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164743903	720843775	/nfs/dbraw/zinc/84/37/75/720843775.db2.gz	JXSIOVUKQUVKCR-BRWVUGGUSA-N	1	1	422.537	1.677	20	0		HDADMO
NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164752708	720855903	/nfs/dbraw/zinc/85/59/03/720855903.db2.gz	ULQFSSWKKQBDOZ-HLLBOEOZSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164752713	720856322	/nfs/dbraw/zinc/85/63/22/720856322.db2.gz	ULQFSSWKKQBDOZ-ZMSDIMECSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)n1	ZINC001164753566	720861176	/nfs/dbraw/zinc/86/11/76/720861176.db2.gz	YCZQLNKHJQMACZ-JENIJYKNSA-N	1	1	422.537	1.424	20	0		HDADMO
CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1	ZINC001164853014	720869721	/nfs/dbraw/zinc/86/97/21/720869721.db2.gz	GAZXNACVPOBKPT-DOTOQJQBSA-N	1	1	417.510	1.319	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)nc3OC)CC[C@@H]2C1	ZINC001164852323	720870640	/nfs/dbraw/zinc/87/06/40/720870640.db2.gz	CHFBPGLPDUNHIO-OCCSQVGLSA-N	1	1	406.861	1.857	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@H]2C1	ZINC001164859523	720871253	/nfs/dbraw/zinc/87/12/53/720871253.db2.gz	UFIVYCMOFCUKTM-WFASDCNBSA-N	1	1	418.872	1.552	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)CC[C@H]2C1	ZINC001164855206	720882455	/nfs/dbraw/zinc/88/24/55/720882455.db2.gz	GKYFPTLEIOOVFG-LPHOPBHVSA-N	1	1	403.527	1.323	20	0		HDADMO
CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)cc2C1	ZINC001164858568	720891773	/nfs/dbraw/zinc/89/17/73/720891773.db2.gz	LDQCIKSNLKMZJE-MBOZVWFJSA-N	1	1	418.538	1.318	20	0		HDADMO
C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C	ZINC001164866656	721093297	/nfs/dbraw/zinc/09/32/97/721093297.db2.gz	UNZNLTGTSQQPNA-OIISXLGYSA-N	1	1	409.494	1.128	20	0		HDADMO
CNC(=O)c1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl	ZINC001164863394	721106658	/nfs/dbraw/zinc/10/66/58/721106658.db2.gz	CFKFHKCGFFMXMR-HOTGVXAUSA-N	1	1	401.898	1.969	20	0		HDADMO
COC(=O)Cc1c(Cl)ncnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164774158	721108089	/nfs/dbraw/zinc/10/80/89/721108089.db2.gz	ZWGUDFSONIBJQK-HUUCEWRRSA-N	1	1	404.902	1.537	20	0		HDADMO
O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCNCC1	ZINC001164865342	721110784	/nfs/dbraw/zinc/11/07/84/721110784.db2.gz	KFGJXYFALPEHEK-PMACEKPBSA-N	1	1	422.533	1.002	20	0		HDADMO
O=C(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCNCC1	ZINC001164865342	721110786	/nfs/dbraw/zinc/11/07/86/721110786.db2.gz	KFGJXYFALPEHEK-PMACEKPBSA-N	1	1	422.533	1.002	20	0		HDADMO
COC(=O)c1cc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2n1C	ZINC001164871526	721135275	/nfs/dbraw/zinc/13/52/75/721135275.db2.gz	FFKCRHWOBZDWNZ-ZWKOTPCHSA-N	1	1	422.489	1.630	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@@H]3C2)cn1	ZINC001164764230	721138201	/nfs/dbraw/zinc/13/82/01/721138201.db2.gz	HLFRDQMUBGRBQZ-SJORKVTESA-N	1	1	417.945	1.658	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5c(n4)N4CCC[C@H]4C(=O)N5C)C[C@@H]3C2)cn1	ZINC001164774193	721139932	/nfs/dbraw/zinc/13/99/32/721139932.db2.gz	ZYOOSAJQJIHEDM-SQNIBIBYSA-N	1	1	422.537	1.114	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001164879421	721142013	/nfs/dbraw/zinc/14/20/13/721142013.db2.gz	RZWUXPYBYHWKDP-QZTJIDSGSA-N	1	1	417.535	1.255	20	0		HDADMO
CCc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164762676	721164560	/nfs/dbraw/zinc/16/45/60/721164560.db2.gz	DDIJPCANVWQKMH-MOPGFXCFSA-N	1	1	411.554	1.567	20	0		HDADMO
COC(OC)c1c(CO)ccnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164772355	721174597	/nfs/dbraw/zinc/17/45/97/721174597.db2.gz	SWTWTYPTCWBUJN-FUHWJXTLSA-N	1	1	401.511	1.557	20	0		HDADMO
CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2C1	ZINC001164872196	721182951	/nfs/dbraw/zinc/18/29/51/721182951.db2.gz	GUPZWRIGDJMWFV-IRXDYDNUSA-N	1	1	414.941	1.993	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nnc(Cl)c5c4N(C)CCO5)C[C@H]3C2)cn1	ZINC001164772329	721183625	/nfs/dbraw/zinc/18/36/25/721183625.db2.gz	SEAQOOZEUDVRGG-LSDHHAIUSA-N	1	1	403.918	1.650	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1	ZINC001164769442	721193985	/nfs/dbraw/zinc/19/39/85/721193985.db2.gz	MMIWJAFYROAKEQ-DLBZAZTESA-N	1	1	404.540	1.024	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(CC3)CN(c3ccccn3)CCO4)n2)CC1	ZINC001164872891	721219408	/nfs/dbraw/zinc/21/94/08/721219408.db2.gz	OXDPKPSBZKXBIB-UHFFFAOYSA-N	1	1	409.538	1.499	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C(=O)NC5CCCC5)nn4)C[C@H]3C2)cn1	ZINC001164768327	721219686	/nfs/dbraw/zinc/21/96/86/721219686.db2.gz	KURPYBKAIPQHLZ-ZWKOTPCHSA-N	1	1	409.538	1.841	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@@H]3C2)cn1	ZINC001164767230	721237128	/nfs/dbraw/zinc/23/71/28/721237128.db2.gz	WKKPCAHCSCDROS-HOTGVXAUSA-N	1	1	401.946	1.810	20	0		HDADMO
CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2C1	ZINC001164761079	721244687	/nfs/dbraw/zinc/24/46/87/721244687.db2.gz	HGEPGJJDKTVMCU-QWFCFKBJSA-N	1	1	424.549	1.836	20	0		HDADMO
CCOC(=O)[C@@H]1CCc2nnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2C1	ZINC001164761081	721245974	/nfs/dbraw/zinc/24/59/74/721245974.db2.gz	HGEPGJJDKTVMCU-WSTZPKSXSA-N	1	1	424.549	1.836	20	0		HDADMO
COC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1	ZINC001164879299	721264016	/nfs/dbraw/zinc/26/40/16/721264016.db2.gz	XVXJOCDOPIRZGS-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3COC4)CC2)C1	ZINC001164868533	721268702	/nfs/dbraw/zinc/26/87/02/721268702.db2.gz	ATKDFAQSVZJJEH-UHFFFAOYSA-N	1	1	409.918	1.167	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@@H](F)Oc3ccc(Cl)nc3)CC2)C1	ZINC001164868950	721272156	/nfs/dbraw/zinc/27/21/56/721272156.db2.gz	GUPYPAWKKXUJPL-GOSISDBHSA-N	1	1	414.909	1.870	20	0		HDADMO
COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164869003	721273563	/nfs/dbraw/zinc/27/35/63/721273563.db2.gz	IUKFLBOZJPJXPP-UHFFFAOYSA-N	1	1	422.501	1.323	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+][n-]c(Cl)c4ncnc3-4)CC2)C1	ZINC001164874526	721279057	/nfs/dbraw/zinc/27/90/57/721279057.db2.gz	UCDVYGMBEKWOFA-UHFFFAOYSA-N	1	1	407.906	1.013	20	0		HDADMO
COc1nnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c2ccccc21	ZINC001164872958	721284375	/nfs/dbraw/zinc/28/43/75/721284375.db2.gz	JSWZJDLSTUHNPC-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
CCOC(=O)Cc1ccnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1	ZINC001164877544	721293362	/nfs/dbraw/zinc/29/33/62/721293362.db2.gz	NQPLOGXONLGUHE-UHFFFAOYSA-N	1	1	418.538	1.194	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)n2)CC1	ZINC001164881921	721314542	/nfs/dbraw/zinc/31/45/42/721314542.db2.gz	YABYYLRIMHRPEJ-GUDVDZBRSA-N	1	1	410.522	1.686	20	0		HDADMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(C(N)=O)n3)C2)C1	ZINC001164779912	721346582	/nfs/dbraw/zinc/34/65/82/721346582.db2.gz	WYSIHHQMOAURRU-FQEVSTJZSA-N	1	1	400.483	1.299	20	0		HDADMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(C(N)=O)n3)C2)C1	ZINC001164779912	721346588	/nfs/dbraw/zinc/34/65/88/721346588.db2.gz	WYSIHHQMOAURRU-FQEVSTJZSA-N	1	1	400.483	1.299	20	0		HDADMO
COC(=O)c1cncnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164779473	721351364	/nfs/dbraw/zinc/35/13/64/721351364.db2.gz	UECONOZWYNRGEI-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cncnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164779473	721351369	/nfs/dbraw/zinc/35/13/69/721351369.db2.gz	UECONOZWYNRGEI-NRFANRHFSA-N	1	1	415.494	1.987	20	0		HDADMO
COC(=O)c1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1	ZINC001164894565	721383491	/nfs/dbraw/zinc/38/34/91/721383491.db2.gz	ZBEIAYCEBMRSCO-SIKLNZKXSA-N	1	1	402.539	1.942	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164894085	721384265	/nfs/dbraw/zinc/38/42/65/721384265.db2.gz	XMAAWVFSDJIBOX-YWZLYKJASA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C(N)=O)c(Cl)cn4)C3)O2)CC1	ZINC001164894103	721386809	/nfs/dbraw/zinc/38/68/09/721386809.db2.gz	XRAPXNBRXDLQKM-MGPUTAFESA-N	1	1	407.946	1.599	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C(N)=O)c(Cl)cn4)C3)O2)CC1	ZINC001164894102	721387071	/nfs/dbraw/zinc/38/70/71/721387071.db2.gz	XRAPXNBRXDLQKM-FOIQADDNSA-N	1	1	407.946	1.599	20	0		HDADMO
COC(=O)c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1C(=O)OC	ZINC001164785114	721395157	/nfs/dbraw/zinc/39/51/57/721395157.db2.gz	KZXSETASWYDHPJ-STQMWFEESA-N	1	1	402.476	1.680	20	0		HDADMO
COC(=O)c1cc(OC)cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164892130	721399077	/nfs/dbraw/zinc/39/90/77/721399077.db2.gz	RSNLYHUVECLFLY-VGOFRKELSA-N	1	1	418.538	1.642	20	0		HDADMO
CN(C)C(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164892945	721403213	/nfs/dbraw/zinc/40/32/13/721403213.db2.gz	ZGYOGZBVTQXBQU-KNQAVFIVSA-N	1	1	401.555	1.549	20	0		HDADMO
COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1C	ZINC001164884465	721419855	/nfs/dbraw/zinc/41/98/55/721419855.db2.gz	DHINTFDDAYVTJO-XMSQKQJNSA-N	1	1	402.539	1.942	20	0		HDADMO
COC(=O)c1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164893672	721442065	/nfs/dbraw/zinc/44/20/65/721442065.db2.gz	JXMLSFRTGJWIBD-QRWLVFNGSA-N	1	1	423.945	1.682	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)C3)O2)CC1	ZINC001164892755	721453082	/nfs/dbraw/zinc/45/30/82/721453082.db2.gz	XVZUARKFIRYCCL-HTAPYJJXSA-N	1	1	414.554	1.218	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)C3)O2)CC1	ZINC001164892758	721453159	/nfs/dbraw/zinc/45/31/59/721453159.db2.gz	XVZUARKFIRYCCL-VGSWGCGISA-N	1	1	414.554	1.218	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CNC3)CC2	ZINC001164789405	721455853	/nfs/dbraw/zinc/45/58/53/721455853.db2.gz	VJMPLADTPRUZNN-SFHVURJKSA-N	1	1	401.555	1.814	20	0		HDADMO
CN1CCN(c2cccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)n2)CC1	ZINC001164790539	721484205	/nfs/dbraw/zinc/48/42/05/721484205.db2.gz	FSMFVRSWXZLILR-FHWLQOOXSA-N	1	1	409.538	1.386	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2)CC1	ZINC001164898961	721484465	/nfs/dbraw/zinc/48/44/65/721484465.db2.gz	XNXQDCIPIKRRPN-WZONZLPQSA-N	1	1	414.550	1.924	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12	ZINC001164807289	721565771	/nfs/dbraw/zinc/56/57/71/721565771.db2.gz	SNIWRHFDOQXGIW-QKNQBKEWSA-N	1	1	410.522	1.576	20	0		HDADMO
CCOC(=O)Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nn1	ZINC001164806707	721568117	/nfs/dbraw/zinc/56/81/17/721568117.db2.gz	RELMRXIEVUZFQX-XQBPLPMBSA-N	1	1	411.506	1.845	20	0		HDADMO
CCOC(=O)Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nn1	ZINC001164806707	721568121	/nfs/dbraw/zinc/56/81/21/721568121.db2.gz	RELMRXIEVUZFQX-XQBPLPMBSA-N	1	1	411.506	1.845	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164810255	721586979	/nfs/dbraw/zinc/58/69/79/721586979.db2.gz	VNTHTDJQEWYNQA-LQWHRVPQSA-N	1	1	406.494	1.629	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@H]2CCCO[C@H]12	ZINC001164801495	721590572	/nfs/dbraw/zinc/59/05/72/721590572.db2.gz	FBXHEIQFAFPJFL-DAYGRLMNSA-N	1	1	412.519	1.784	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@H]2CCCO[C@H]12	ZINC001164801495	721590573	/nfs/dbraw/zinc/59/05/73/721590573.db2.gz	FBXHEIQFAFPJFL-DAYGRLMNSA-N	1	1	412.519	1.784	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164811528	721590820	/nfs/dbraw/zinc/59/08/20/721590820.db2.gz	YAWTYYGFSUPTOR-XYJFISCASA-N	1	1	416.913	1.753	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164811528	721590823	/nfs/dbraw/zinc/59/08/23/721590823.db2.gz	YAWTYYGFSUPTOR-XYJFISCASA-N	1	1	416.913	1.753	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@H]2CCCO[C@H]12	ZINC001164808872	721591708	/nfs/dbraw/zinc/59/17/08/721591708.db2.gz	QZYFHSKMPMHTEQ-NSHGMRRFSA-N	1	1	408.506	1.716	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@H]2CCCO[C@H]12	ZINC001164808872	721591710	/nfs/dbraw/zinc/59/17/10/721591710.db2.gz	QZYFHSKMPMHTEQ-NSHGMRRFSA-N	1	1	408.506	1.716	20	0		HDADMO
O=C([C@@H]1C[C@@H]2[C@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCOCC1	ZINC001164802745	721595819	/nfs/dbraw/zinc/59/58/19/721595819.db2.gz	UUAYTGPSVMHUOM-SQNIBIBYSA-N	1	1	420.941	1.926	20	0		HDADMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(S(N)(=O)=O)n1)C2	ZINC001164911791	721765849	/nfs/dbraw/zinc/76/58/49/721765849.db2.gz	RVDKXKULLLPGFK-UHFFFAOYSA-N	1	1	413.503	1.912	20	0		HDADMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(S(N)(=O)=O)n1)C2	ZINC001164911791	721765850	/nfs/dbraw/zinc/76/58/50/721765850.db2.gz	RVDKXKULLLPGFK-UHFFFAOYSA-N	1	1	413.503	1.912	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(S(N)(=O)=O)n3)C[C@@H]21	ZINC001165026266	721831322	/nfs/dbraw/zinc/83/13/22/721831322.db2.gz	OKHSHESBIWJKND-RYQLBKOJSA-N	1	1	401.536	1.861	20	0		HDADMO
CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2	ZINC001164927331	721836977	/nfs/dbraw/zinc/83/69/77/721836977.db2.gz	UAALPETVGSPKIF-PGRDOPGGSA-N	1	1	424.553	1.283	20	0		HDADMO
COCCN1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1=O	ZINC001164920235	721844759	/nfs/dbraw/zinc/84/47/59/721844759.db2.gz	HCGWNJGMOZISGP-VQTJNVASSA-N	1	1	418.538	1.255	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)C1	ZINC001164930169	721880577	/nfs/dbraw/zinc/88/05/77/721880577.db2.gz	CIELEZCYNZGIBN-QYZOEREBSA-N	1	1	416.570	1.471	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)C1	ZINC001164930169	721880578	/nfs/dbraw/zinc/88/05/78/721880578.db2.gz	CIELEZCYNZGIBN-QYZOEREBSA-N	1	1	416.570	1.471	20	0		HDADMO
CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2)cc1	ZINC001165038679	721915206	/nfs/dbraw/zinc/91/52/06/721915206.db2.gz	NYSFQOWZHZLPIS-KRWDZBQOSA-N	1	1	418.519	1.973	20	0		HDADMO
Cc1ccc(N(c2ccc(N3CCN(C)CC3)nn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001164963460	722025283	/nfs/dbraw/zinc/02/52/83/722025283.db2.gz	UMKOIYLYNXUSNV-GCJKJVERSA-N	1	1	424.553	1.376	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)n2)CC1	ZINC001164963098	722029795	/nfs/dbraw/zinc/02/97/95/722029795.db2.gz	ZSMNGSHYPAXBIG-SCTDSRPQSA-N	1	1	414.485	1.578	20	0		HDADMO
NC(=O)c1cc(Cl)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164984378	722103567	/nfs/dbraw/zinc/10/35/67/722103567.db2.gz	SWZWRTREIVSBGU-YJBOKZPZSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1ncc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164973102	722110275	/nfs/dbraw/zinc/11/02/75/722110275.db2.gz	GOYWOWTWMYDAQL-CABCVRRESA-N	1	1	402.886	1.351	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1	ZINC001164981466	722131851	/nfs/dbraw/zinc/13/18/51/722131851.db2.gz	ORZZWLIGRSSTIY-AZUAARDMSA-N	1	1	411.506	1.705	20	0		HDADMO
c1ncn(Cc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)n1	ZINC001164977026	722141896	/nfs/dbraw/zinc/14/18/96/722141896.db2.gz	HUCUWBQSJIDWBK-LEWJYISDSA-N	1	1	405.506	1.844	20	0		HDADMO
O=C1CSc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2N1	ZINC001164972096	722155991	/nfs/dbraw/zinc/15/59/91/722155991.db2.gz	FKZPPNCNGPTPLM-JKSUJKDBSA-N	1	1	412.519	1.643	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164975333	722156120	/nfs/dbraw/zinc/15/61/20/722156120.db2.gz	SNVLZVSZKJOERC-RDJZCZTQSA-N	1	1	416.913	1.612	20	0		HDADMO
CCN(CC)c1ccnc([C@H]2COCCN2c2ccnc(N3CC[NH+](C)CC3)n2)n1	ZINC001164998433	722227657	/nfs/dbraw/zinc/22/76/57/722227657.db2.gz	BYJKQJBBGHDGES-QGZVFWFLSA-N	1	1	412.542	1.443	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc4ncccc4nc2Cl)CC3)CC1	ZINC001164997179	722233313	/nfs/dbraw/zinc/23/33/13/722233313.db2.gz	NNMWPOIDMXWUSE-UHFFFAOYSA-N	1	1	410.913	1.825	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nccc(-c4cccnc4F)n2)CC3)CC1	ZINC001164997882	722235358	/nfs/dbraw/zinc/23/53/58/722235358.db2.gz	YFRIZLWVBFBTJJ-UHFFFAOYSA-N	1	1	420.496	1.825	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccnc(N4CCCCC4)n2)CC3)CC1	ZINC001165001503	722236897	/nfs/dbraw/zinc/23/68/97/722236897.db2.gz	HTSBNCGDTYLNMA-UHFFFAOYSA-N	1	1	408.554	1.614	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(C4CC4)nc4[nH]ccc42)CC3)CC1	ZINC001165001054	722239678	/nfs/dbraw/zinc/23/96/78/722239678.db2.gz	AGDUFNPNCZVTIA-UHFFFAOYSA-N	1	1	404.522	1.982	20	0		HDADMO
Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]2C1	ZINC001165003350	722244488	/nfs/dbraw/zinc/24/44/88/722244488.db2.gz	KDRRARPYVVLSNE-NQIIRXRSSA-N	1	1	409.534	1.992	20	0		HDADMO
CN1CCN(c2cccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)CC1	ZINC001165001915	722254883	/nfs/dbraw/zinc/25/48/83/722254883.db2.gz	JCSCSVZDXZQPMK-UHFFFAOYSA-N	1	1	413.570	1.518	20	0		HDADMO
CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1S(=O)(=O)N(CC)CC	ZINC000509071391	1073457514	/nfs/dbraw/zinc/45/75/14/1073457514.db2.gz	PVEZJZZMSQGCGP-ZBFHGGJFSA-N	1	1	413.540	1.367	20	0		HDADMO
CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1S(=O)(=O)N(CC)CC	ZINC000509071391	1073457520	/nfs/dbraw/zinc/45/75/20/1073457520.db2.gz	PVEZJZZMSQGCGP-ZBFHGGJFSA-N	1	1	413.540	1.367	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)c3noc(-c4cccc(F)c4)n3)CC2)CC1	ZINC000673640330	1073471613	/nfs/dbraw/zinc/47/16/13/1073471613.db2.gz	ZFDXMUOJJFLTAE-UHFFFAOYSA-N	1	1	401.442	1.502	20	0		HDADMO
COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000625097557	1073487020	/nfs/dbraw/zinc/48/70/20/1073487020.db2.gz	NKCGSBLLENOPIW-LJQANCHMSA-N	1	1	417.506	1.098	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1	ZINC000429060205	1073493898	/nfs/dbraw/zinc/49/38/98/1073493898.db2.gz	LLSHAMJKXBGJIE-MJGOQNOKSA-N	1	1	409.552	1.732	20	0		HDADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCOc1ncccc1F	ZINC000429079305	1073519629	/nfs/dbraw/zinc/51/96/29/1073519629.db2.gz	IMHMFCZNRKTGFZ-UHFFFAOYSA-N	1	1	402.474	1.506	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C(C)(C)C)on2)C3)O1	ZINC001004661897	1073520226	/nfs/dbraw/zinc/52/02/26/1073520226.db2.gz	PAZQFDLYLANQAS-VFPIZLKKSA-N	1	1	404.511	1.553	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C(C)(C)C)on2)C3)O1	ZINC001004661897	1073520235	/nfs/dbraw/zinc/52/02/35/1073520235.db2.gz	PAZQFDLYLANQAS-VFPIZLKKSA-N	1	1	404.511	1.553	20	0		HDADMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000673648520	1073534916	/nfs/dbraw/zinc/53/49/16/1073534916.db2.gz	FMWDVKUJPLQWOL-IBGZPJMESA-N	1	1	420.473	1.987	20	0		HDADMO
O=C(Cn1c[nH+]c2c1CCCC2)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2	ZINC001004689886	1073537336	/nfs/dbraw/zinc/53/73/36/1073537336.db2.gz	BTUKTYRGIBJIKD-ACGNBTOLSA-N	1	1	412.534	1.825	20	0		HDADMO
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625182641	1073551441	/nfs/dbraw/zinc/55/14/41/1073551441.db2.gz	KHHZTAFDIFXJNZ-QGZVFWFLSA-N	1	1	401.511	1.698	20	0		HDADMO
COC(=O)c1cc(F)ccc1C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1	ZINC000509113923	1073552612	/nfs/dbraw/zinc/55/26/12/1073552612.db2.gz	UYMWZGHBNVGURE-UHFFFAOYSA-N	1	1	405.470	1.548	20	0		HDADMO
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001004704782	1073553844	/nfs/dbraw/zinc/55/38/44/1073553844.db2.gz	IQPAWLNVYGPRFS-UJCQGIJZSA-N	1	1	419.485	1.552	20	0		HDADMO
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625192154	1073558826	/nfs/dbraw/zinc/55/88/26/1073558826.db2.gz	UODIQSLXRAESOT-IBGZPJMESA-N	1	1	421.563	1.798	20	0		HDADMO
O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCN(Cc2nccn2C(F)F)CC1	ZINC000673651823	1073573356	/nfs/dbraw/zinc/57/33/56/1073573356.db2.gz	UYGCIJOHWRKGRP-KRWDZBQOSA-N	1	1	404.465	1.982	20	0		HDADMO
O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCN(Cc2nccn2C(F)F)CC1	ZINC000673651823	1073573363	/nfs/dbraw/zinc/57/33/63/1073573363.db2.gz	UYGCIJOHWRKGRP-KRWDZBQOSA-N	1	1	404.465	1.982	20	0		HDADMO
C[C@]1(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O	ZINC000673654759	1073580498	/nfs/dbraw/zinc/58/04/98/1073580498.db2.gz	CNLACNQDXHMRKL-XMSQKQJNSA-N	1	1	407.474	1.417	20	0		HDADMO
C[C@]1(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O	ZINC000673654759	1073580507	/nfs/dbraw/zinc/58/05/07/1073580507.db2.gz	CNLACNQDXHMRKL-XMSQKQJNSA-N	1	1	407.474	1.417	20	0		HDADMO
CN(C(=O)c1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1)[C@H]1CCC[N@@H+](C)C1	ZINC000509124178	1073613596	/nfs/dbraw/zinc/61/35/96/1073613596.db2.gz	QODAKCCMTJGYAQ-INIZCTEOSA-N	1	1	408.462	1.853	20	0		HDADMO
CCOC(=O)[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1	ZINC001128522242	1073617060	/nfs/dbraw/zinc/61/70/60/1073617060.db2.gz	TYGBYNMBDXVKAG-AVYPCKFXSA-N	1	1	410.536	1.715	20	0		HDADMO
NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000673668358	1073621082	/nfs/dbraw/zinc/62/10/82/1073621082.db2.gz	LGTYSPBLQPTEFY-MBSDFSHPSA-N	1	1	408.502	1.117	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000673669470	1073621796	/nfs/dbraw/zinc/62/17/96/1073621796.db2.gz	QZSNNMQLIBWQHV-INIZCTEOSA-N	1	1	414.554	1.508	20	0		HDADMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000673669470	1073621798	/nfs/dbraw/zinc/62/17/98/1073621798.db2.gz	QZSNNMQLIBWQHV-INIZCTEOSA-N	1	1	414.554	1.508	20	0		HDADMO
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673673626	1073629499	/nfs/dbraw/zinc/62/94/99/1073629499.db2.gz	YBIKZLPEVZGWBK-MJGOQNOKSA-N	1	1	414.472	1.402	20	0		HDADMO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000673675366	1073631016	/nfs/dbraw/zinc/63/10/16/1073631016.db2.gz	NFECARCDHAXASX-CTNGQTDRSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1	ZINC000673675366	1073631021	/nfs/dbraw/zinc/63/10/21/1073631021.db2.gz	NFECARCDHAXASX-CTNGQTDRSA-N	1	1	408.550	1.768	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCN1Cc1ccccn1	ZINC000673675366	1073631025	/nfs/dbraw/zinc/63/10/25/1073631025.db2.gz	NFECARCDHAXASX-CTNGQTDRSA-N	1	1	408.550	1.768	20	0		HDADMO
CNC(=O)CC1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1	ZINC000673694833	1073637518	/nfs/dbraw/zinc/63/75/18/1073637518.db2.gz	JSDUSVKGICPCBU-UHFFFAOYSA-N	1	1	410.522	1.552	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCCC[C@@H]2CO)c1	ZINC000673701855	1073644792	/nfs/dbraw/zinc/64/47/92/1073644792.db2.gz	QYTKTEWSBQZYSG-CYBMUJFWSA-N	1	1	403.932	1.766	20	0		HDADMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](CCO)CC(C)(C)C)CC1	ZINC000673754900	1073690224	/nfs/dbraw/zinc/69/02/24/1073690224.db2.gz	JYHHJHSOTXLSQT-UHFFFAOYSA-N	1	1	418.582	1.727	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC000673757542	1073691899	/nfs/dbraw/zinc/69/18/99/1073691899.db2.gz	CEAYZEYIHKHCIK-KRWDZBQOSA-N	1	1	417.531	1.836	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000429118688	1073692918	/nfs/dbraw/zinc/69/29/18/1073692918.db2.gz	YRAWPAMTZOAKNF-OAHLLOKOSA-N	1	1	405.499	1.106	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC1CCS(=O)(=O)CC1	ZINC000509144342	1073721192	/nfs/dbraw/zinc/72/11/92/1073721192.db2.gz	YGJGPEWEGZATPI-SFHVURJKSA-N	1	1	422.595	1.711	20	0		HDADMO
CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1	ZINC000673792304	1073737358	/nfs/dbraw/zinc/73/73/58/1073737358.db2.gz	ZNWSKDYQWDEOMF-RTBURBONSA-N	1	1	417.506	1.445	20	0		HDADMO
CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1	ZINC000673792304	1073737362	/nfs/dbraw/zinc/73/73/62/1073737362.db2.gz	ZNWSKDYQWDEOMF-RTBURBONSA-N	1	1	417.506	1.445	20	0		HDADMO
CC(C)c1nc(S(=O)(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c[nH]1	ZINC000673821695	1073765304	/nfs/dbraw/zinc/76/53/04/1073765304.db2.gz	PBQUHYPNEHLCGA-UHFFFAOYSA-N	1	1	405.568	1.971	20	0		HDADMO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000673823667	1073767297	/nfs/dbraw/zinc/76/72/97/1073767297.db2.gz	BHBVFTOQESNGJO-MRXNPFEDSA-N	1	1	423.560	1.619	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000673823667	1073767301	/nfs/dbraw/zinc/76/73/01/1073767301.db2.gz	BHBVFTOQESNGJO-MRXNPFEDSA-N	1	1	423.560	1.619	20	0		HDADMO
CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1	ZINC000673815950	1073771709	/nfs/dbraw/zinc/77/17/09/1073771709.db2.gz	GRJFSYYHUQINPX-OAQYLSRUSA-N	1	1	408.550	1.899	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1	ZINC000673840942	1073806853	/nfs/dbraw/zinc/80/68/53/1073806853.db2.gz	SFLKRVNXXPHNHG-GOSISDBHSA-N	1	1	409.458	1.893	20	0		HDADMO
NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1	ZINC000673840942	1073806868	/nfs/dbraw/zinc/80/68/68/1073806868.db2.gz	SFLKRVNXXPHNHG-GOSISDBHSA-N	1	1	409.458	1.893	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1csc(N(C)C)n1	ZINC000673852203	1073817420	/nfs/dbraw/zinc/81/74/20/1073817420.db2.gz	WHMTVCXLBWBZGV-OAHLLOKOSA-N	1	1	403.556	1.614	20	0		HDADMO
CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000673844722	1073819478	/nfs/dbraw/zinc/81/94/78/1073819478.db2.gz	JFKQSTOBVZKNEI-OAHLLOKOSA-N	1	1	400.516	1.994	20	0		HDADMO
Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)CC2)cc1	ZINC000543492963	1073822380	/nfs/dbraw/zinc/82/23/80/1073822380.db2.gz	DHFJBHHDAJMIET-NRFANRHFSA-N	1	1	416.566	1.290	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1	ZINC000673860546	1073828438	/nfs/dbraw/zinc/82/84/38/1073828438.db2.gz	ZYWYAEIDCQTJSV-UHFFFAOYSA-N	1	1	409.556	1.275	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1	ZINC000673884351	1073856706	/nfs/dbraw/zinc/85/67/06/1073856706.db2.gz	XGAAJYVJIVBBTJ-UXHICEINSA-N	1	1	400.523	1.682	20	0		HDADMO
Cc1cc(C(=O)CN2CC[NH+](C(C)(C)CO)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1	ZINC000673896007	1073867113	/nfs/dbraw/zinc/86/71/13/1073867113.db2.gz	NZXPAAYIXDZASI-KRWDZBQOSA-N	1	1	411.568	1.036	20	0		HDADMO
CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1	ZINC000140786331	1073924547	/nfs/dbraw/zinc/92/45/47/1073924547.db2.gz	LTXQZVTUCHVJNL-QGZVFWFLSA-N	1	1	418.542	1.362	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1	ZINC000429172568	1073934227	/nfs/dbraw/zinc/93/42/27/1073934227.db2.gz	RNPHUEYSAVJXEH-WMZOPIPTSA-N	1	1	409.552	1.953	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1	ZINC000429172568	1073934230	/nfs/dbraw/zinc/93/42/30/1073934230.db2.gz	RNPHUEYSAVJXEH-WMZOPIPTSA-N	1	1	409.552	1.953	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1CC[C@H](O)C[C@@H]1C	ZINC000429172824	1073940764	/nfs/dbraw/zinc/94/07/64/1073940764.db2.gz	SIVRVMBIQYVXTG-HOTGVXAUSA-N	1	1	422.551	1.422	20	0		HDADMO
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1CC[C@H](O)C[C@@H]1C	ZINC000429172824	1073940765	/nfs/dbraw/zinc/94/07/65/1073940765.db2.gz	SIVRVMBIQYVXTG-HOTGVXAUSA-N	1	1	422.551	1.422	20	0		HDADMO
C[C@@]1(c2ccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2)NC(=O)NC1=O	ZINC000673963167	1073946695	/nfs/dbraw/zinc/94/66/95/1073946695.db2.gz	GGROPKOANXOJNL-UWJYYQICSA-N	1	1	400.479	1.068	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCC(C)(C)[NH+]3CCN(C)CC3)C2)c1	ZINC000673970128	1073956104	/nfs/dbraw/zinc/95/61/04/1073956104.db2.gz	FSLFGOSFUZBBSJ-QGZVFWFLSA-N	1	1	419.570	1.608	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1	ZINC000030921587	1073977851	/nfs/dbraw/zinc/97/78/51/1073977851.db2.gz	ZNGXINFIQHCMFZ-HDICACEKSA-N	1	1	423.579	1.896	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O	ZINC000466574817	1073992628	/nfs/dbraw/zinc/99/26/28/1073992628.db2.gz	QFVBPEJCZOJUTJ-HOJAQTOUSA-N	1	1	401.555	1.931	20	0		HDADMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1	ZINC000429184371	1074000545	/nfs/dbraw/zinc/00/05/45/1074000545.db2.gz	BFZQFASZJWJEBF-LJQANCHMSA-N	1	1	401.559	1.257	20	0		HDADMO
C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1	ZINC000484452966	1074011423	/nfs/dbraw/zinc/01/14/23/1074011423.db2.gz	NXQUIFGALMYAOP-LVCYWYKZSA-N	1	1	407.530	1.373	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1	ZINC000484452966	1074011431	/nfs/dbraw/zinc/01/14/31/1074011431.db2.gz	NXQUIFGALMYAOP-LVCYWYKZSA-N	1	1	407.530	1.373	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1	ZINC000484452966	1074011442	/nfs/dbraw/zinc/01/14/42/1074011442.db2.gz	NXQUIFGALMYAOP-LVCYWYKZSA-N	1	1	407.530	1.373	20	0		HDADMO
C[C@]1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO[C@H]1C1CC1	ZINC000466581602	1074019240	/nfs/dbraw/zinc/01/92/40/1074019240.db2.gz	OHBJJQACEVQKMI-GHTZIAJQSA-N	1	1	402.543	1.493	20	0		HDADMO
CCOC(=O)[C@]1(C)CN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCO1	ZINC001649122894	1074043082	/nfs/dbraw/zinc/04/30/82/1074043082.db2.gz	STQKCNKNDWYMEM-FQEVSTJZSA-N	1	1	413.515	1.156	20	0		HDADMO
CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1	ZINC001299292255	1074047092	/nfs/dbraw/zinc/04/70/92/1074047092.db2.gz	UGFDOKHAHMKHSG-WMLDXEAASA-N	1	1	404.540	1.216	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccnc(O[C@H]4CCOC4)c3)cc2)CC1	ZINC000543540285	1074051733	/nfs/dbraw/zinc/05/17/33/1074051733.db2.gz	PHPHWBAWULSSQF-FQEVSTJZSA-N	1	1	424.501	1.567	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@@H](C)c2noc(Cc3ccccc3)n2)C1	ZINC000543544913	1074060107	/nfs/dbraw/zinc/06/01/07/1074060107.db2.gz	LVVWPOQWVZGUGA-HKUYNNGSSA-N	1	1	415.538	1.784	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)CC2	ZINC000466599394	1074062142	/nfs/dbraw/zinc/06/21/42/1074062142.db2.gz	UVXLHLWOLAELDZ-ROUUACIJSA-N	1	1	418.538	1.795	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)CC2	ZINC000466599394	1074062148	/nfs/dbraw/zinc/06/21/48/1074062148.db2.gz	UVXLHLWOLAELDZ-ROUUACIJSA-N	1	1	418.538	1.795	20	0		HDADMO
COc1cc2c(cc1OC)CN(CCNC(=O)N[C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2	ZINC000466600201	1074065019	/nfs/dbraw/zinc/06/50/19/1074065019.db2.gz	WTTYVKXYWHCVLU-HNAYVOBHSA-N	1	1	402.539	1.844	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1=O	ZINC000466603793	1074068819	/nfs/dbraw/zinc/06/88/19/1074068819.db2.gz	GECSCSXEAFNPQO-CQDKDKBSSA-N	1	1	406.508	1.422	20	0		HDADMO
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000229083937	1074077929	/nfs/dbraw/zinc/07/79/29/1074077929.db2.gz	AUSLGVNCSFHEOV-QUCCMNQESA-N	1	1	416.566	1.843	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)c1	ZINC000509201420	1074078760	/nfs/dbraw/zinc/07/87/60/1074078760.db2.gz	DPYMKMQEUSYCJL-UHFFFAOYSA-N	1	1	401.554	1.257	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)C2=O)c1	ZINC000466610197	1074090212	/nfs/dbraw/zinc/09/02/12/1074090212.db2.gz	WQLRSKJVUOTSHY-VMDGZTHMSA-N	1	1	402.495	1.591	20	0		HDADMO
C[C@@H](C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)N1CC[NH+](C)CC1	ZINC000543559952	1074106664	/nfs/dbraw/zinc/10/66/64/1074106664.db2.gz	SXJOJPBKHAPGOX-ZDUSSCGKSA-N	1	1	423.564	1.756	20	0		HDADMO
O=C(Nc1ccc(OCC(F)F)cc1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000674038432	1074110906	/nfs/dbraw/zinc/11/09/06/1074110906.db2.gz	CVHANKWZFJIFDO-KRWDZBQOSA-N	1	1	411.449	1.982	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]1[C@H](O)C(F)(F)F	ZINC000429207801	1074124828	/nfs/dbraw/zinc/12/48/28/1074124828.db2.gz	YXADBAIGWSOQSU-CABCVRRESA-N	1	1	416.448	1.086	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1	ZINC000059320013	1074138112	/nfs/dbraw/zinc/13/81/12/1074138112.db2.gz	RYNYDTKAFFTISU-QGZVFWFLSA-N	1	1	402.495	1.515	20	0		HDADMO
C[C@H]1N(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCC12CCOCC2	ZINC000543580912	1074171143	/nfs/dbraw/zinc/17/11/43/1074171143.db2.gz	VOUIWQNDXVFOTD-OAHLLOKOSA-N	1	1	402.495	1.543	20	0		HDADMO
CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000674079004	1074178189	/nfs/dbraw/zinc/17/81/89/1074178189.db2.gz	UVKPPVFKAMAIEC-NQIIRXRSSA-N	1	1	416.497	1.677	20	0		HDADMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000674136699	1074193215	/nfs/dbraw/zinc/19/32/15/1074193215.db2.gz	OAVQJXCUZBLGFU-WBAXXEDZSA-N	1	1	407.536	1.641	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCO)[C@H]1CCCc2ccccc21	ZINC000674160211	1074196701	/nfs/dbraw/zinc/19/67/01/1074196701.db2.gz	RWLKSMPHOSTRSE-UNMCSNQZSA-N	1	1	416.566	1.474	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1	ZINC000674168481	1074201519	/nfs/dbraw/zinc/20/15/19/1074201519.db2.gz	GCRZWFVANLWZBJ-HKUYNNGSSA-N	1	1	423.583	1.031	20	0		HDADMO
O=C(Nc1ccc2c(c1)NC(=O)CC2)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000674191072	1074204325	/nfs/dbraw/zinc/20/43/25/1074204325.db2.gz	YDVFYGQKADRRCC-QGZVFWFLSA-N	1	1	400.479	1.223	20	0		HDADMO
CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1C	ZINC000674230884	1074236443	/nfs/dbraw/zinc/23/64/43/1074236443.db2.gz	SQUMJHJYUBZJOT-QGZVFWFLSA-N	1	1	402.495	1.381	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccccc3-n3cncn3)CC2)nc(C)[nH+]1	ZINC000674230494	1074236675	/nfs/dbraw/zinc/23/66/75/1074236675.db2.gz	YKQGRMMLHDZROJ-UHFFFAOYSA-N	1	1	420.477	1.398	20	0		HDADMO
CO[C@@H](C)c1noc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)n1	ZINC000674274576	1074254011	/nfs/dbraw/zinc/25/40/11/1074254011.db2.gz	RVBBETNMWPWCRA-DOTOQJQBSA-N	1	1	406.531	1.479	20	0		HDADMO
CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)ccc21	ZINC000674298497	1074263372	/nfs/dbraw/zinc/26/33/72/1074263372.db2.gz	SUOXRYQXEODUCP-KRWDZBQOSA-N	1	1	407.536	1.329	20	0		HDADMO
COC1CC[NH+](CCNC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CC1	ZINC000674331165	1074285810	/nfs/dbraw/zinc/28/58/10/1074285810.db2.gz	XIGIBMMKPXLVQH-UHFFFAOYSA-N	1	1	411.591	1.023	20	0		HDADMO
Cc1ccc(NC(=O)C[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1S(N)(=O)=O	ZINC000674370769	1074299319	/nfs/dbraw/zinc/29/93/19/1074299319.db2.gz	BGCVMMRAEHWRSV-GOSISDBHSA-N	1	1	413.503	1.809	20	0		HDADMO
CN(Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C[C@@H](O)C[NH+]1CCOCC1	ZINC000674374021	1074300218	/nfs/dbraw/zinc/30/02/18/1074300218.db2.gz	YNAWHZRXGPGTKE-CYBMUJFWSA-N	1	1	400.401	1.479	20	0		HDADMO
Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1S(N)(=O)=O	ZINC000674391608	1074306006	/nfs/dbraw/zinc/30/60/06/1074306006.db2.gz	SVUBFJYKVFWNSD-MRXNPFEDSA-N	1	1	422.576	1.422	20	0		HDADMO
Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1	ZINC000674411562	1074313202	/nfs/dbraw/zinc/31/32/02/1074313202.db2.gz	DSWNUWQTTLAKMC-FQEVSTJZSA-N	1	1	401.555	1.129	20	0		HDADMO
COc1cc2[nH+]c(NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)nc(N)c2cc1OC	ZINC000674413269	1074313525	/nfs/dbraw/zinc/31/35/25/1074313525.db2.gz	FCTJWDRVFJKJML-OVWNDWIMSA-N	1	1	400.439	1.362	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1	ZINC000674428392	1074317020	/nfs/dbraw/zinc/31/70/20/1074317020.db2.gz	XCWJOEGEMQJWKT-KYFSNAEOSA-N	1	1	407.559	1.764	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1=O	ZINC000674425288	1074327205	/nfs/dbraw/zinc/32/72/05/1074327205.db2.gz	YVQMHOCGJAIHTD-AVRDEDQJSA-N	1	1	413.522	1.455	20	0		HDADMO
CN(CCN1CCCS1(=O)=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1	ZINC000674425106	1074327481	/nfs/dbraw/zinc/32/74/81/1074327481.db2.gz	XVCGGXGNTCPCKK-UHFFFAOYSA-N	1	1	408.568	1.500	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[NH+](CCc3cccs3)CC2)C1=O	ZINC000674439856	1074339131	/nfs/dbraw/zinc/33/91/31/1074339131.db2.gz	YXWQVHOBIVSYJS-QRWLVFNGSA-N	1	1	419.551	1.338	20	0		HDADMO
C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CCN1CCCS1(=O)=O	ZINC000674462646	1074355192	/nfs/dbraw/zinc/35/51/92/1074355192.db2.gz	YSEFGVUCMLJNNM-UHFFFAOYSA-N	1	1	422.320	1.884	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1	ZINC000674455108	1074357755	/nfs/dbraw/zinc/35/77/55/1074357755.db2.gz	WJKKQUIQTRHARN-VIRVFLBCSA-N	1	1	413.522	1.842	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C1	ZINC000674455107	1074357914	/nfs/dbraw/zinc/35/79/14/1074357914.db2.gz	WJKKQUIQTRHARN-OBUYZQBDSA-N	1	1	413.522	1.842	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)CCN2C1=O	ZINC000674468330	1074365405	/nfs/dbraw/zinc/36/54/05/1074365405.db2.gz	NZNGIKDLKDRRJW-JSGCOSHPSA-N	1	1	402.278	1.701	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)COc3cccc(C(F)(F)F)c3)CCN2C1=O	ZINC000674469189	1074367043	/nfs/dbraw/zinc/36/70/43/1074367043.db2.gz	XHLKTUZNBQTMDX-ZFWWWQNUSA-N	1	1	401.385	1.413	20	0		HDADMO
C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000429230622	1074369164	/nfs/dbraw/zinc/36/91/64/1074369164.db2.gz	XJOSFJSRRFWYPP-OAHLLOKOSA-N	1	1	414.485	1.174	20	0		HDADMO
C[N@H+](CCC(=O)Nc1ccccc1Br)CCN1CCCS1(=O)=O	ZINC000674497329	1074407366	/nfs/dbraw/zinc/40/73/66/1074407366.db2.gz	ZXLMPYZQQMUVIH-UHFFFAOYSA-N	1	1	404.330	1.745	20	0		HDADMO
C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC001626102409	1074416366	/nfs/dbraw/zinc/41/63/66/1074416366.db2.gz	ZRPSUMQIYOTUBR-OKZBNKHCSA-N	1	1	405.543	1.652	20	0		HDADMO
C[C@@H](c1ccc(NC(=O)N(C)CCN2CCCS2(=O)=O)cc1)[NH+]1CCOCC1	ZINC000674568307	1074443899	/nfs/dbraw/zinc/44/38/99/1074443899.db2.gz	ZNKVCOKANZSVBY-INIZCTEOSA-N	1	1	410.540	1.579	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(C[NH+]3CCOCC3)cc1)CC2	ZINC000674608603	1074477916	/nfs/dbraw/zinc/47/79/16/1074477916.db2.gz	DQWYQOUOGQHIFZ-UHFFFAOYSA-N	1	1	411.506	1.363	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)N1CCc2nn(CC)c(=O)cc2C1)[NH+]1CCOCC1	ZINC000674612465	1074479521	/nfs/dbraw/zinc/47/95/21/1074479521.db2.gz	VVLFIBNOKBFLBM-IBGZPJMESA-N	1	1	405.543	1.468	20	0		HDADMO
CCN(C(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000674611097	1074479538	/nfs/dbraw/zinc/47/95/38/1074479538.db2.gz	CBVOGNYNHRNUEL-LJQANCHMSA-N	1	1	401.555	1.849	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1	ZINC000674614691	1074485956	/nfs/dbraw/zinc/48/59/56/1074485956.db2.gz	VDRQGHZTIOUHSH-GHMZBOCLSA-N	1	1	404.355	1.533	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1=O	ZINC000674616482	1074486472	/nfs/dbraw/zinc/48/64/72/1074486472.db2.gz	SFLYTFJDXSMRRM-AUJRIZCKSA-N	1	1	421.929	1.962	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C[C@H]3CCCS(=O)(=O)C3)n2)c1C	ZINC000509231228	1074492358	/nfs/dbraw/zinc/49/23/58/1074492358.db2.gz	AXTOYDIQRGDFQQ-CQSZACIVSA-N	1	1	407.496	1.500	20	0		HDADMO
C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC000674630402	1074493717	/nfs/dbraw/zinc/49/37/17/1074493717.db2.gz	BTEHYVITSGVPIX-SFHVURJKSA-N	1	1	409.600	1.228	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)C2)CC1	ZINC000674631097	1074494936	/nfs/dbraw/zinc/49/49/36/1074494936.db2.gz	LLVFXYYHWVHNHT-FUHWJXTLSA-N	1	1	407.946	1.724	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)C2)CC1	ZINC000674631097	1074494941	/nfs/dbraw/zinc/49/49/41/1074494941.db2.gz	LLVFXYYHWVHNHT-FUHWJXTLSA-N	1	1	407.946	1.724	20	0		HDADMO
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1	ZINC001128786966	1074526417	/nfs/dbraw/zinc/52/64/17/1074526417.db2.gz	ZYQDUEQKWYFGDR-GDBMZVCRSA-N	1	1	413.565	1.802	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CO	ZINC000674714532	1074532980	/nfs/dbraw/zinc/53/29/80/1074532980.db2.gz	XSHMWZLEFBCFTE-QGZVFWFLSA-N	1	1	409.552	1.955	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CCCC[C@@H]1CO	ZINC000674714532	1074532984	/nfs/dbraw/zinc/53/29/84/1074532984.db2.gz	XSHMWZLEFBCFTE-QGZVFWFLSA-N	1	1	409.552	1.955	20	0		HDADMO
O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000674711347	1074537598	/nfs/dbraw/zinc/53/75/98/1074537598.db2.gz	CDNLMLHLANRMEF-IBGZPJMESA-N	1	1	414.506	1.134	20	0		HDADMO
CC(C)([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(=O)Nc1ccccc1	ZINC000674753927	1074548545	/nfs/dbraw/zinc/54/85/45/1074548545.db2.gz	YVDQCPUEQJTLOY-UHFFFAOYSA-N	1	1	416.503	1.230	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCN2CCCS2(=O)=O)cc1	ZINC000674761525	1074550828	/nfs/dbraw/zinc/55/08/28/1074550828.db2.gz	IJCQKQGZPBPRNU-HNNXBMFYSA-N	1	1	405.524	1.919	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)n1	ZINC000674762805	1074557126	/nfs/dbraw/zinc/55/71/26/1074557126.db2.gz	ZDEQKPUIQRVPJF-UHFFFAOYSA-N	1	1	413.522	1.901	20	0		HDADMO
CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccn1	ZINC000674764272	1074558199	/nfs/dbraw/zinc/55/81/99/1074558199.db2.gz	UKHTVXWMNDRLDW-SFHVURJKSA-N	1	1	409.490	1.455	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)C1	ZINC000674763775	1074559174	/nfs/dbraw/zinc/55/91/74/1074559174.db2.gz	IPLYYTFYDBMISU-IBGZPJMESA-N	1	1	404.474	1.939	20	0		HDADMO
CN(C)C(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1	ZINC000674764906	1074559570	/nfs/dbraw/zinc/55/95/70/1074559570.db2.gz	MMJDSQCHEAMBMQ-GOSISDBHSA-N	1	1	423.517	1.750	20	0		HDADMO
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000674869195	1074596746	/nfs/dbraw/zinc/59/67/46/1074596746.db2.gz	CADQFSOZSJVWET-LJQANCHMSA-N	1	1	401.555	1.979	20	0		HDADMO
COCCOc1cc(C)ccc1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000674879360	1074599912	/nfs/dbraw/zinc/59/99/12/1074599912.db2.gz	CYGFNNXOMWEPSX-HXUWFJFHSA-N	1	1	404.555	1.942	20	0		HDADMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	ZINC001128871529	1074612098	/nfs/dbraw/zinc/61/20/98/1074612098.db2.gz	PGORYSSGMSNISC-IIBYNOLFSA-N	1	1	402.495	1.405	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCO[C@H]([C@H]3CCCO3)C2)CC1	ZINC000674914097	1074613103	/nfs/dbraw/zinc/61/31/03/1074613103.db2.gz	XUWAZRMFWJGJLW-YADHBBJMSA-N	1	1	401.551	1.909	20	0		HDADMO
C[C@H](NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000674928125	1074625468	/nfs/dbraw/zinc/62/54/68/1074625468.db2.gz	VNKAHZAYZNZCTN-KCLUMXDGSA-N	1	1	403.523	1.865	20	0		HDADMO
C[C@H](NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000674928125	1074625474	/nfs/dbraw/zinc/62/54/74/1074625474.db2.gz	VNKAHZAYZNZCTN-KCLUMXDGSA-N	1	1	403.523	1.865	20	0		HDADMO
Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000674929043	1074626045	/nfs/dbraw/zinc/62/60/45/1074626045.db2.gz	LPDFTDXTZHKDGR-QGZVFWFLSA-N	1	1	412.481	1.802	20	0		HDADMO
Cc1ccc(OC(F)F)c(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1	ZINC000674929042	1074626294	/nfs/dbraw/zinc/62/62/94/1074626294.db2.gz	LPDFTDXTZHKDGR-KRWDZBQOSA-N	1	1	412.481	1.802	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)C2)cc(OC)c1	ZINC000674985354	1074660530	/nfs/dbraw/zinc/66/05/30/1074660530.db2.gz	IIBQWFVYHHEUMK-DZFGPLHGSA-N	1	1	419.522	1.868	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)C2)cc(OC)c1	ZINC000674985354	1074660538	/nfs/dbraw/zinc/66/05/38/1074660538.db2.gz	IIBQWFVYHHEUMK-DZFGPLHGSA-N	1	1	419.522	1.868	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)C2)cc(OC)c1	ZINC000674985356	1074660596	/nfs/dbraw/zinc/66/05/96/1074660596.db2.gz	IIBQWFVYHHEUMK-WMQCIHAUSA-N	1	1	419.522	1.868	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)C2)cc(OC)c1	ZINC000674985356	1074660601	/nfs/dbraw/zinc/66/06/01/1074660601.db2.gz	IIBQWFVYHHEUMK-WMQCIHAUSA-N	1	1	419.522	1.868	20	0		HDADMO
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000429309009	1074668977	/nfs/dbraw/zinc/66/89/77/1074668977.db2.gz	MHUJIQMZFXTCOS-GJZGRUSLSA-N	1	1	410.540	1.074	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nn1C1CCCCC1	ZINC000555039513	1074679302	/nfs/dbraw/zinc/67/93/02/1074679302.db2.gz	XGQSRTUCECNQTA-UHFFFAOYSA-N	1	1	418.586	2.120	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)nn1C1CCCCC1	ZINC000555039513	1074679304	/nfs/dbraw/zinc/67/93/04/1074679304.db2.gz	XGQSRTUCECNQTA-UHFFFAOYSA-N	1	1	418.586	2.120	20	0		HDADMO
COc1ccccc1N1CC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O	ZINC000675003207	1074685133	/nfs/dbraw/zinc/68/51/33/1074685133.db2.gz	DDIOMKFVEQEGPE-IRXDYDNUSA-N	1	1	402.495	1.307	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1	ZINC000448374620	1074705778	/nfs/dbraw/zinc/70/57/78/1074705778.db2.gz	SJMSIFNCGUEIQE-ZFWWWQNUSA-N	1	1	407.540	2.514	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000675091525	1074714002	/nfs/dbraw/zinc/71/40/02/1074714002.db2.gz	SDCQGXPCLGHYAL-NRFANRHFSA-N	1	1	422.529	1.260	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CC[C@@H](CO)CC3)c2)C1	ZINC000675100170	1074717667	/nfs/dbraw/zinc/71/76/67/1074717667.db2.gz	YQYNBNYOUTURQC-FFZOFVMBSA-N	1	1	402.539	1.734	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000804218246	1074719042	/nfs/dbraw/zinc/71/90/42/1074719042.db2.gz	QTGDUHIXESWDAP-XSLAGTTESA-N	1	1	424.586	1.985	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)s1	ZINC000580134688	1074725167	/nfs/dbraw/zinc/72/51/67/1074725167.db2.gz	OJVXVFXYVHLRES-UHFFFAOYSA-N	1	1	404.496	2.269	20	0		HDADMO
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(-c2ccccc2)nn1	ZINC000467387928	1074725672	/nfs/dbraw/zinc/72/56/72/1074725672.db2.gz	DZDXPZGSYLYPIX-UHFFFAOYSA-N	1	1	418.505	2.267	20	0		HDADMO
O=C1c2ccc(Br)cc2C(=O)N1CN1CCC[C@H]1C[NH+]1CCOCC1	ZINC000766091361	1074725773	/nfs/dbraw/zinc/72/57/73/1074725773.db2.gz	IAWSXNGLKQSPLW-AWEZNQCLSA-N	1	1	408.296	1.799	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[N@@H+](Cc3ccccc3C)CC1)CC2	ZINC000675118038	1074726718	/nfs/dbraw/zinc/72/67/18/1074726718.db2.gz	CFVUOXZJLBMWLP-LJQANCHMSA-N	1	1	412.538	1.965	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1COc2c1cccc2Cl	ZINC000675118793	1074727024	/nfs/dbraw/zinc/72/70/24/1074727024.db2.gz	WZUSTNDPXCDEFO-SJORKVTESA-N	1	1	407.898	1.603	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)nn1-c1ccccc1Cl	ZINC000551693376	1074729531	/nfs/dbraw/zinc/72/95/31/1074729531.db2.gz	RYTUOUHOFREAMG-FQEVSTJZSA-N	1	1	401.898	2.327	20	0		HDADMO
COC(=O)CCc1nnc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)s1	ZINC000531301340	1074730671	/nfs/dbraw/zinc/73/06/71/1074730671.db2.gz	YSSNCUJWKZEZPC-UHFFFAOYSA-N	1	1	403.508	1.643	20	0		HDADMO
Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12	ZINC000675126851	1074731515	/nfs/dbraw/zinc/73/15/15/1074731515.db2.gz	PJETUEDZXFILGB-KSSFIOAISA-N	1	1	406.490	1.994	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nn1C	ZINC000439487219	1074737627	/nfs/dbraw/zinc/73/76/27/1074737627.db2.gz	PHERCQPYLKWCOQ-UHFFFAOYSA-N	1	1	422.489	2.103	20	0		HDADMO
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cnn(-c2cc[nH+]cc2)c1	ZINC001005552116	1074750437	/nfs/dbraw/zinc/75/04/37/1074750437.db2.gz	QRZPMRBFQRBBHM-YRYYUTHUSA-N	1	1	407.474	1.697	20	0		HDADMO
COC(=O)Cn1ccc(NC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1	ZINC000483164398	1074751734	/nfs/dbraw/zinc/75/17/34/1074751734.db2.gz	ZQBGEGUQXUBGTL-UHFFFAOYSA-N	1	1	420.901	1.653	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@H]21	ZINC000766096151	1074751682	/nfs/dbraw/zinc/75/16/82/1074751682.db2.gz	HDAJISIPRZWPBB-GDBMZVCRSA-N	1	1	422.482	1.739	20	0		HDADMO
O=C(NCCCc1ccc2c(c1)OCCO2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675191606	1074752906	/nfs/dbraw/zinc/75/29/06/1074752906.db2.gz	SVYIWSWYKARGLX-IBGZPJMESA-N	1	1	418.538	1.096	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCCc3ccc4c(c3)OCCO4)CC2)C1	ZINC000675201808	1074756324	/nfs/dbraw/zinc/75/63/24/1074756324.db2.gz	NHOSXEXSTLGVEL-LJQANCHMSA-N	1	1	402.539	1.812	20	0		HDADMO
CC(C)[C@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)N1CC[NH+](C)CC1	ZINC000543616636	1074758269	/nfs/dbraw/zinc/75/82/69/1074758269.db2.gz	JZKJLYNCVSDIOO-IBGZPJMESA-N	1	1	402.543	1.605	20	0		HDADMO
COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000429323102	1074760138	/nfs/dbraw/zinc/76/01/38/1074760138.db2.gz	RWPUAGFNXWSZKR-INIZCTEOSA-N	1	1	406.527	1.841	20	0		HDADMO
COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000429323102	1074760149	/nfs/dbraw/zinc/76/01/49/1074760149.db2.gz	RWPUAGFNXWSZKR-INIZCTEOSA-N	1	1	406.527	1.841	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000429243931	1074771205	/nfs/dbraw/zinc/77/12/05/1074771205.db2.gz	IJSDIORTQGPKQN-UHFFFAOYSA-N	1	1	419.494	1.155	20	0		HDADMO
COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OCC(N)=O	ZINC000030030299	1074780063	/nfs/dbraw/zinc/78/00/63/1074780063.db2.gz	JGHDDVIYKGPUPN-KRWDZBQOSA-N	1	1	413.474	1.697	20	0		HDADMO
COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OCC(N)=O	ZINC000030030299	1074780071	/nfs/dbraw/zinc/78/00/71/1074780071.db2.gz	JGHDDVIYKGPUPN-KRWDZBQOSA-N	1	1	413.474	1.697	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1	ZINC000675287149	1074780350	/nfs/dbraw/zinc/78/03/50/1074780350.db2.gz	WEYGUTXJQMCWIW-CALCHBBNSA-N	1	1	414.531	1.649	20	0		HDADMO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1	ZINC000675287149	1074780361	/nfs/dbraw/zinc/78/03/61/1074780361.db2.gz	WEYGUTXJQMCWIW-CALCHBBNSA-N	1	1	414.531	1.649	20	0		HDADMO
O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc2n(n1)CCCC2	ZINC000564496722	1074783157	/nfs/dbraw/zinc/78/31/57/1074783157.db2.gz	KLVXWSOKPHCTTH-IBGZPJMESA-N	1	1	409.534	2.576	20	0		HDADMO
O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000675280010	1074784349	/nfs/dbraw/zinc/78/43/49/1074784349.db2.gz	AUHOALIMOPEBFT-IBGZPJMESA-N	1	1	417.531	1.441	20	0		HDADMO
CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000675282077	1074786103	/nfs/dbraw/zinc/78/61/03/1074786103.db2.gz	ZLRMNYQYMQEGGM-SFHVURJKSA-N	1	1	409.552	1.412	20	0		HDADMO
O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O	ZINC000675297690	1074791218	/nfs/dbraw/zinc/79/12/18/1074791218.db2.gz	QKHMKBYRPJQVLZ-PBHICJAKSA-N	1	1	420.460	1.319	20	0		HDADMO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000477091023	1074791428	/nfs/dbraw/zinc/79/14/28/1074791428.db2.gz	AXTLRMIJQNYOGW-IPMKNSEASA-N	1	1	418.582	1.759	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000675304969	1074792935	/nfs/dbraw/zinc/79/29/35/1074792935.db2.gz	VVFYOUOIUOROEH-DOTOQJQBSA-N	1	1	404.898	1.162	20	0		HDADMO
C[C@]1(c2ccccc2)CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1	ZINC000675310171	1074800534	/nfs/dbraw/zinc/80/05/34/1074800534.db2.gz	TZELIWYAMDAKBI-IFMALSPDSA-N	1	1	402.539	1.350	20	0		HDADMO
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)Nc1ccn(-c2ccccc2)n1	ZINC000498614088	1074811736	/nfs/dbraw/zinc/81/17/36/1074811736.db2.gz	IFBTUVRUOANYQV-UHFFFAOYSA-N	1	1	419.485	1.959	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]21	ZINC000766112367	1074819067	/nfs/dbraw/zinc/81/90/67/1074819067.db2.gz	JLFGTTFIFLJTES-RTWAWAEBSA-N	1	1	414.550	1.884	20	0		HDADMO
CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2S1(=O)=O	ZINC000766114358	1074821065	/nfs/dbraw/zinc/82/10/65/1074821065.db2.gz	SSXWCZHEJRXIRM-DOTOQJQBSA-N	1	1	405.520	1.796	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000555940641	1075095852	/nfs/dbraw/zinc/09/58/52/1075095852.db2.gz	VWCWDOFCDGPBQS-UHFFFAOYSA-N	1	1	422.327	2.421	20	0		HDADMO
COc1ncc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(N)=O	ZINC000429334394	1075098214	/nfs/dbraw/zinc/09/82/14/1075098214.db2.gz	MUKNXBOSLWUCNS-OAQYLSRUSA-N	1	1	413.478	1.290	20	0		HDADMO
C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1	ZINC000509330864	1075111542	/nfs/dbraw/zinc/11/15/42/1075111542.db2.gz	JDSDDCAVOJKXDR-GUDVDZBRSA-N	1	1	407.603	1.881	20	0		HDADMO
O=C(NCCc1ccc(C(F)(F)F)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000670514420	1075117034	/nfs/dbraw/zinc/11/70/34/1075117034.db2.gz	WJCYQJOJXFVELQ-UHFFFAOYSA-N	1	1	413.440	1.687	20	0		HDADMO
CCOCCCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000041622649	1075118123	/nfs/dbraw/zinc/11/81/23/1075118123.db2.gz	LRYDMBYBWKNODN-UHFFFAOYSA-N	1	1	404.511	1.838	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1	ZINC000675433595	1075144025	/nfs/dbraw/zinc/14/40/25/1075144025.db2.gz	YZTSKXBQPSIWKM-MRXNPFEDSA-N	1	1	410.877	1.255	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1F	ZINC000429345055	1075146191	/nfs/dbraw/zinc/14/61/91/1075146191.db2.gz	BJXVYKVVFUULBB-UONOGXRCSA-N	1	1	424.473	1.037	20	0		HDADMO
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1F	ZINC000429345055	1075146195	/nfs/dbraw/zinc/14/61/95/1075146195.db2.gz	BJXVYKVVFUULBB-UONOGXRCSA-N	1	1	424.473	1.037	20	0		HDADMO
O=C(NCCCN1CCCCCC1=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000670525279	1075147192	/nfs/dbraw/zinc/14/71/92/1075147192.db2.gz	UDQIZNDQVPOVQM-GOSISDBHSA-N	1	1	418.538	1.832	20	0		HDADMO
CC(C)(CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCCO1	ZINC000670526636	1075148284	/nfs/dbraw/zinc/14/82/84/1075148284.db2.gz	GDUDQTMUWJMXTJ-GOSISDBHSA-N	1	1	409.571	1.849	20	0		HDADMO
O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000559643240	1075150477	/nfs/dbraw/zinc/15/04/77/1075150477.db2.gz	BPPHBVKGZIDMGB-ZDUSSCGKSA-N	1	1	418.295	1.926	20	0		HDADMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1	ZINC000675457951	1075156602	/nfs/dbraw/zinc/15/66/02/1075156602.db2.gz	BHHBZTYWKKIOKN-SUMWQHHRSA-N	1	1	424.904	1.501	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000675458581	1075157260	/nfs/dbraw/zinc/15/72/60/1075157260.db2.gz	QXMYMSUAADHLET-UHFFFAOYSA-N	1	1	422.476	1.049	20	0		HDADMO
COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1-n1nnnc1C1CC1	ZINC000429349767	1075162367	/nfs/dbraw/zinc/16/23/67/1075162367.db2.gz	NVJHEMFEIGJKAO-ZDUSSCGKSA-N	1	1	401.471	1.079	20	0		HDADMO
COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1-n1nnnc1C1CC1	ZINC000429349767	1075162372	/nfs/dbraw/zinc/16/23/72/1075162372.db2.gz	NVJHEMFEIGJKAO-ZDUSSCGKSA-N	1	1	401.471	1.079	20	0		HDADMO
CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC001299295683	1075164753	/nfs/dbraw/zinc/16/47/53/1075164753.db2.gz	IIHOOXJIPJVWNB-NVXWUHKLSA-N	1	1	410.588	1.404	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000766143507	1075169571	/nfs/dbraw/zinc/16/95/71/1075169571.db2.gz	FIHNYHQQQDUBOE-MRXNPFEDSA-N	1	1	401.479	1.421	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1	ZINC000766143505	1075169623	/nfs/dbraw/zinc/16/96/23/1075169623.db2.gz	FIHNYHQQQDUBOE-INIZCTEOSA-N	1	1	401.479	1.421	20	0		HDADMO
COC[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(Cl)cc1	ZINC000675477386	1075169937	/nfs/dbraw/zinc/16/99/37/1075169937.db2.gz	RTECMZCOKURENW-RTBURBONSA-N	1	1	422.957	1.382	20	0		HDADMO
COCCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1	ZINC000466680311	1075170432	/nfs/dbraw/zinc/17/04/32/1075170432.db2.gz	RFHBAWRUKQIANT-APWZRJJASA-N	1	1	412.490	1.825	20	0		HDADMO
O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000675485752	1075173359	/nfs/dbraw/zinc/17/33/59/1075173359.db2.gz	DNFKRXWQCDEMGZ-HNNXBMFYSA-N	1	1	405.890	1.051	20	0		HDADMO
COc1ccc(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1	ZINC000675485641	1075173371	/nfs/dbraw/zinc/17/33/71/1075173371.db2.gz	NIELQSPYHIPQCT-KRWDZBQOSA-N	1	1	410.946	1.597	20	0		HDADMO
O=C(C[N@H+](CCO)CCc1ccccc1)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000675495011	1075177839	/nfs/dbraw/zinc/17/78/39/1075177839.db2.gz	IGMSKSGXRNEYBZ-UHFFFAOYSA-N	1	1	400.870	1.791	20	0		HDADMO
O=C(C[N@@H+](CCO)CCc1ccccc1)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000675495011	1075177843	/nfs/dbraw/zinc/17/78/43/1075177843.db2.gz	IGMSKSGXRNEYBZ-UHFFFAOYSA-N	1	1	400.870	1.791	20	0		HDADMO
Cc1nc(CC(C)C)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)s1	ZINC000675516413	1075181093	/nfs/dbraw/zinc/18/10/93/1075181093.db2.gz	WUGFBIVZDSLILJ-MRXNPFEDSA-N	1	1	407.584	1.827	20	0		HDADMO
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000675519319	1075184330	/nfs/dbraw/zinc/18/43/30/1075184330.db2.gz	ZFFWKMDXBQASNM-KRWDZBQOSA-N	1	1	416.566	1.725	20	0		HDADMO
CCN(C(=O)C(=O)Nc1ccn([C@@H](C)COC)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446847162	1075188117	/nfs/dbraw/zinc/18/81/17/1075188117.db2.gz	JGJWAHSAAGFYHU-HKUYNNGSSA-N	1	1	413.522	2.152	20	0		HDADMO
C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c2ccccc2O1	ZINC000675511767	1075191189	/nfs/dbraw/zinc/19/11/89/1075191189.db2.gz	VOOVVCAZRDGWBS-OAHLLOKOSA-N	1	1	420.469	1.614	20	0		HDADMO
COCCOc1ncccc1C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000447704547	1075192585	/nfs/dbraw/zinc/19/25/85/1075192585.db2.gz	RANCMFOATHOOEH-UHFFFAOYSA-N	1	1	412.450	2.019	20	0		HDADMO
COc1ccc2[nH]cc(CCNC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)c2c1	ZINC000675535142	1075193418	/nfs/dbraw/zinc/19/34/18/1075193418.db2.gz	GOIZAGMBJXACBJ-UHFFFAOYSA-N	1	1	401.511	1.525	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1	ZINC000675537268	1075193757	/nfs/dbraw/zinc/19/37/57/1075193757.db2.gz	OSOLOCCNPPWKLD-FUHWJXTLSA-N	1	1	414.510	1.503	20	0		HDADMO
O=C(NCCOc1ccc(C(F)(F)F)cn1)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000675542959	1075198718	/nfs/dbraw/zinc/19/87/18/1075198718.db2.gz	JORCJWLQALIIND-HNNXBMFYSA-N	1	1	402.417	1.985	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675558695	1075202927	/nfs/dbraw/zinc/20/29/27/1075202927.db2.gz	MTVUDLNABYXPAT-LJQANCHMSA-N	1	1	421.586	1.363	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1	ZINC000675558695	1075202929	/nfs/dbraw/zinc/20/29/29/1075202929.db2.gz	MTVUDLNABYXPAT-LJQANCHMSA-N	1	1	421.586	1.363	20	0		HDADMO
O=C(CC[C@@H]1NC(=O)NC1=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000675566263	1075205397	/nfs/dbraw/zinc/20/53/97/1075205397.db2.gz	HASMSSBLUHFIOK-HNNXBMFYSA-N	1	1	423.311	1.518	20	0		HDADMO
Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1	ZINC000543635453	1075205724	/nfs/dbraw/zinc/20/57/24/1075205724.db2.gz	COEXGHUKGQVREU-AEFFLSMTSA-N	1	1	404.536	1.672	20	0		HDADMO
CC(C)[N@@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000675570805	1075208682	/nfs/dbraw/zinc/20/86/82/1075208682.db2.gz	CTZAAKVUWLXCPB-IYBDPMFKSA-N	1	1	413.540	1.126	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1=O	ZINC000675572761	1075208949	/nfs/dbraw/zinc/20/89/49/1075208949.db2.gz	CLAAAUDLECXIPV-CEXWTWQISA-N	1	1	404.555	1.227	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1	ZINC000550417889	1075213618	/nfs/dbraw/zinc/21/36/18/1075213618.db2.gz	WDWZJSCVCVNYNP-UHFFFAOYSA-N	1	1	420.311	2.174	20	0		HDADMO
C[C@@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)N1CC[NH+](C)CC1	ZINC000470190719	1075214716	/nfs/dbraw/zinc/21/47/16/1075214716.db2.gz	PANRVLGQRPYIMI-LBPRGKRZSA-N	1	1	406.478	1.232	20	0		HDADMO
CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[NH+]1CCOCC1	ZINC000675585723	1075215454	/nfs/dbraw/zinc/21/54/54/1075215454.db2.gz	NYKJTHVPNVAFMU-OALUTQOASA-N	1	1	421.542	1.254	20	0		HDADMO
O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)Nc1cnn(CC2CC2)c1	ZINC000675585814	1075215705	/nfs/dbraw/zinc/21/57/05/1075215705.db2.gz	DLGYJNBPCPTMAS-UHFFFAOYSA-N	1	1	424.549	1.556	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1	ZINC000426961373	1075219478	/nfs/dbraw/zinc/21/94/78/1075219478.db2.gz	ZRBYTQVMKAZCCI-ZWKOTPCHSA-N	1	1	419.570	2.532	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)no1	ZINC000461561214	1075224371	/nfs/dbraw/zinc/22/43/71/1075224371.db2.gz	MMEXSARTNCPXFN-HOTGVXAUSA-N	1	1	424.567	2.193	20	0		HDADMO
O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000675587933	1075226735	/nfs/dbraw/zinc/22/67/35/1075226735.db2.gz	SQTVEZUNEKUZCK-HXUWFJFHSA-N	1	1	411.506	1.388	20	0		HDADMO
Cc1cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000429363537	1075228289	/nfs/dbraw/zinc/22/82/89/1075228289.db2.gz	PYLAIFQSOJNKMW-YJBOKZPZSA-N	1	1	423.583	1.296	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[NH+]2CCCC2)o1	ZINC000675591980	1075229634	/nfs/dbraw/zinc/22/96/34/1075229634.db2.gz	DKIYRMYROUKWIX-MSOLQXFVSA-N	1	1	415.494	1.855	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNc2ccc(S(=O)(=O)NC)cn2)CC1	ZINC000486972748	1075233305	/nfs/dbraw/zinc/23/33/05/1075233305.db2.gz	WECUYYYNFJMSFK-UHFFFAOYSA-N	1	1	403.552	1.739	20	0		HDADMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1	ZINC000441991700	1075237679	/nfs/dbraw/zinc/23/76/79/1075237679.db2.gz	ZUQCQIKSYQLLNY-MSOLQXFVSA-N	1	1	411.506	1.964	20	0		HDADMO
Cc1ccc(-n2ccnc2SCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1C	ZINC000675653908	1075248024	/nfs/dbraw/zinc/24/80/24/1075248024.db2.gz	GEADSBPFZLGPNF-UHFFFAOYSA-N	1	1	415.563	1.814	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000675665647	1075251897	/nfs/dbraw/zinc/25/18/97/1075251897.db2.gz	MWTPVWGXLFUHFX-PXNSSMCTSA-N	1	1	406.571	1.617	20	0		HDADMO
Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000675716876	1075259790	/nfs/dbraw/zinc/25/97/90/1075259790.db2.gz	OFXYWAGSKARJAL-HSALFYBXSA-N	1	1	405.539	1.986	20	0		HDADMO
Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000675716875	1075259820	/nfs/dbraw/zinc/25/98/20/1075259820.db2.gz	OFXYWAGSKARJAL-AQNXPRMDSA-N	1	1	405.539	1.986	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)C1	ZINC000675756733	1075265226	/nfs/dbraw/zinc/26/52/26/1075265226.db2.gz	SQIMNHDHPLBKAO-QGZVFWFLSA-N	1	1	416.385	1.991	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1	ZINC000675759809	1075266084	/nfs/dbraw/zinc/26/60/84/1075266084.db2.gz	JGRXYDWDYXWSBQ-LJQANCHMSA-N	1	1	418.519	1.410	20	0		HDADMO
CCOC(=O)Cc1nnc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1	ZINC000469929378	1075269751	/nfs/dbraw/zinc/26/97/51/1075269751.db2.gz	QQWCSSSDJZIENY-IYBDPMFKSA-N	1	1	415.519	2.239	20	0		HDADMO
CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)N1CCNC(=O)C1	ZINC000429379756	1075270654	/nfs/dbraw/zinc/27/06/54/1075270654.db2.gz	AROIDOJNGHQOEB-NRFANRHFSA-N	1	1	400.567	1.610	20	0		HDADMO
O=C(CCCOc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675799755	1075272810	/nfs/dbraw/zinc/27/28/10/1075272810.db2.gz	KHCZJVTURXDIKJ-QGZVFWFLSA-N	1	1	405.495	1.097	20	0		HDADMO
O=C(CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CCCC1	ZINC000675813678	1075275541	/nfs/dbraw/zinc/27/55/41/1075275541.db2.gz	NEMYJXNWRJZRRF-UHFFFAOYSA-N	1	1	407.946	1.820	20	0		HDADMO
O=C(NCCOC[C@H]1CCOC1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000675819853	1075277182	/nfs/dbraw/zinc/27/71/82/1075277182.db2.gz	OMSOHNNUZAYLQJ-KRWDZBQOSA-N	1	1	410.946	1.814	20	0		HDADMO
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)Cn3c[nH+]c4c3CCCC4)cn2)C[C@@H](C)O1	ZINC000543647134	1075280658	/nfs/dbraw/zinc/28/06/58/1075280658.db2.gz	LSMJMAWTCXKUOG-HUUCEWRRSA-N	1	1	400.483	1.233	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000675841744	1075281442	/nfs/dbraw/zinc/28/14/42/1075281442.db2.gz	YDMUXOWJBSVOEA-IBGZPJMESA-N	1	1	421.586	1.506	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1	ZINC000675841744	1075281449	/nfs/dbraw/zinc/28/14/49/1075281449.db2.gz	YDMUXOWJBSVOEA-IBGZPJMESA-N	1	1	421.586	1.506	20	0		HDADMO
CCO[C@@H](C)c1noc(CN2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)n1	ZINC000543648732	1075282862	/nfs/dbraw/zinc/28/28/62/1075282862.db2.gz	WHFOVCIWBRGGCD-HNNXBMFYSA-N	1	1	402.499	1.587	20	0		HDADMO
CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)C[C@@H]2C)CC1	ZINC000675870183	1075285765	/nfs/dbraw/zinc/28/57/65/1075285765.db2.gz	YMPUBBPJRXRUHM-HQRMLTQVSA-N	1	1	418.538	1.435	20	0		HDADMO
O=S(=O)(c1ccccc1CNc1cc[nH+]c(N2CCOCC2)n1)N1CCCCC1	ZINC000546745318	1075286279	/nfs/dbraw/zinc/28/62/79/1075286279.db2.gz	FDOFWVKSLPSZOF-UHFFFAOYSA-N	1	1	417.535	2.100	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1	ZINC000675900022	1075288459	/nfs/dbraw/zinc/28/84/59/1075288459.db2.gz	UAKKYSFUBBLELR-MRXNPFEDSA-N	1	1	406.328	1.835	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)cc2)CC1	ZINC000675883550	1075288754	/nfs/dbraw/zinc/28/87/54/1075288754.db2.gz	OYQSUJVZOSQXIJ-FUHWJXTLSA-N	1	1	401.511	1.630	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000675917143	1075291442	/nfs/dbraw/zinc/29/14/42/1075291442.db2.gz	XASAFKWYUVUYPN-LJQANCHMSA-N	1	1	404.486	1.041	20	0		HDADMO
C[C@H](CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C[NH+]1CCOCC1	ZINC000479121709	1075296406	/nfs/dbraw/zinc/29/64/06/1075296406.db2.gz	YEKJIKRQRZEQSM-CYBMUJFWSA-N	1	1	402.322	1.737	20	0		HDADMO
O=C(NCCSC(F)(F)F)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000785482810	1075298847	/nfs/dbraw/zinc/29/88/47/1075298847.db2.gz	WGJJFABGWKTDCF-UHFFFAOYSA-N	1	1	405.442	1.504	20	0		HDADMO
OCC1(CNc2cc(NCC3(CO)CCOCC3)c3ccncc3[nH+]2)CCOCC1	ZINC000553173780	1075300265	/nfs/dbraw/zinc/30/02/65/1075300265.db2.gz	YSLVFHUGBYGVOQ-UHFFFAOYSA-N	1	1	416.522	2.032	20	0		HDADMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@@H]1C	ZINC000479119138	1075302161	/nfs/dbraw/zinc/30/21/61/1075302161.db2.gz	NUZFCARPNXXYBF-QWHCGFSZSA-N	1	1	402.322	1.566	20	0		HDADMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@@H]1C	ZINC000479119138	1075302165	/nfs/dbraw/zinc/30/21/65/1075302165.db2.gz	NUZFCARPNXXYBF-QWHCGFSZSA-N	1	1	402.322	1.566	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1	ZINC000547789018	1075302595	/nfs/dbraw/zinc/30/25/95/1075302595.db2.gz	ANKPDKHCLSBFPZ-YOFSQIOKSA-N	1	1	400.571	2.144	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)[nH+]c1	ZINC000475260460	1075303862	/nfs/dbraw/zinc/30/38/62/1075303862.db2.gz	MEPRLMCQRNYQHH-QGZVFWFLSA-N	1	1	423.525	1.846	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)c3cccc(CN4C(=O)CNC4=O)c3)C2)nc(C)[nH+]1	ZINC000731296101	1075305582	/nfs/dbraw/zinc/30/55/82/1075305582.db2.gz	FMKGZYUMPGFSIN-GOSISDBHSA-N	1	1	423.473	1.971	20	0		HDADMO
CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000542295366	1075308107	/nfs/dbraw/zinc/30/81/07/1075308107.db2.gz	WXJSZLHXTDAVBW-JKSUJKDBSA-N	1	1	419.526	1.648	20	0		HDADMO
Cc1cc[nH+]c(N2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CC2)c1	ZINC000675988837	1075315315	/nfs/dbraw/zinc/31/53/15/1075315315.db2.gz	JUKAZQSPKDNHLN-UHFFFAOYSA-N	1	1	407.471	1.208	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)Cc3cnn(-c4ccccc4)n3)CC2)CC1	ZINC000731352506	1075316167	/nfs/dbraw/zinc/31/61/67/1075316167.db2.gz	MGYPMTPXQJIFMH-UHFFFAOYSA-N	1	1	410.522	1.213	20	0		HDADMO
COc1cccc2c1OCC[C@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000675975999	1075317925	/nfs/dbraw/zinc/31/79/25/1075317925.db2.gz	CNSBWOQMTUMQAL-IAGOWNOFSA-N	1	1	402.495	1.467	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@]2(O)CCCc3ccccc32)CC1	ZINC000731362798	1075321322	/nfs/dbraw/zinc/32/13/22/1075321322.db2.gz	LSUHOKXCYQHBIP-JOCHJYFZSA-N	1	1	402.539	1.500	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1c(F)cccc1F	ZINC000676051235	1075332585	/nfs/dbraw/zinc/33/25/85/1075332585.db2.gz	OTTCAXPZAKNHDA-AWEZNQCLSA-N	1	1	405.449	1.491	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1	ZINC000676055066	1075333796	/nfs/dbraw/zinc/33/37/96/1075333796.db2.gz	CUDHOVJROFHNDY-FNHZYXHNSA-N	1	1	407.536	1.499	20	0		HDADMO
COCCc1cc(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)n(C)n1	ZINC000676064962	1075341398	/nfs/dbraw/zinc/34/13/98/1075341398.db2.gz	PQSWZFOVYQXARV-UHFFFAOYSA-N	1	1	409.494	1.738	20	0		HDADMO
Cc1c(C(=O)N2CCOC3(CCOCC3)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000676071937	1075342531	/nfs/dbraw/zinc/34/25/31/1075342531.db2.gz	PQVVXWYKUCHFKH-UHFFFAOYSA-N	1	1	411.506	1.585	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC2N=NC(=S)N2C(C)C)CC1=O	ZINC000731447277	1075344038	/nfs/dbraw/zinc/34/40/38/1075344038.db2.gz	UIDSEAWZWNZTJA-GJZGRUSLSA-N	1	1	408.572	1.139	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000804083726	1075354742	/nfs/dbraw/zinc/35/47/42/1075354742.db2.gz	FAXKPMBCAROLIC-OAHLLOKOSA-N	1	1	401.429	1.716	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](C(=O)OC)C1	ZINC000509380911	1075357487	/nfs/dbraw/zinc/35/74/87/1075357487.db2.gz	RLMZGTOWXFOSLW-LMMKCTJWSA-N	1	1	420.481	1.991	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)Nc1cc2n(n1)CCCC2	ZINC000554425615	1075358156	/nfs/dbraw/zinc/35/81/56/1075358156.db2.gz	JKOOETWYFKJVKU-UHFFFAOYSA-N	1	1	412.494	2.260	20	0		HDADMO
CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c1	ZINC000731470075	1075358485	/nfs/dbraw/zinc/35/84/85/1075358485.db2.gz	MWNQRQGXEPQSFL-OAHLLOKOSA-N	1	1	409.533	1.276	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C	ZINC000804086924	1075368146	/nfs/dbraw/zinc/36/81/46/1075368146.db2.gz	BJZXGOTYQMMISN-YYIAUSFCSA-N	1	1	410.559	1.880	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C	ZINC000804086924	1075368149	/nfs/dbraw/zinc/36/81/49/1075368149.db2.gz	BJZXGOTYQMMISN-YYIAUSFCSA-N	1	1	410.559	1.880	20	0		HDADMO
CN(C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000804086712	1075370042	/nfs/dbraw/zinc/37/00/42/1075370042.db2.gz	CDPWXZZXTFEMOS-BFYDXBDKSA-N	1	1	408.543	1.634	20	0		HDADMO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1	ZINC000509384854	1075375094	/nfs/dbraw/zinc/37/50/94/1075375094.db2.gz	HTRLYKQFBKZXBC-SFHVURJKSA-N	1	1	405.543	1.612	20	0		HDADMO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804087120	1075378569	/nfs/dbraw/zinc/37/85/69/1075378569.db2.gz	CZZAOLNJHBWTPR-BBWFWOEESA-N	1	1	410.559	1.737	20	0		HDADMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000804087120	1075378573	/nfs/dbraw/zinc/37/85/73/1075378573.db2.gz	CZZAOLNJHBWTPR-BBWFWOEESA-N	1	1	410.559	1.737	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[N@H+]1C1CC1	ZINC000804088259	1075380222	/nfs/dbraw/zinc/38/02/22/1075380222.db2.gz	BIZQUHKIQZONGC-WCVJEAGWSA-N	1	1	408.543	1.680	20	0		HDADMO
C[C@@]1(c2cccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)c2)NC(=O)NC1=O	ZINC000676113917	1075386647	/nfs/dbraw/zinc/38/66/47/1075386647.db2.gz	XCSXDVJXSIVSFO-UTKZUKDTSA-N	1	1	400.479	1.068	20	0		HDADMO
O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C(=O)Nc1ccc(-n2nccn2)nc1	ZINC000731549321	1075386729	/nfs/dbraw/zinc/38/67/29/1075386729.db2.gz	WMEVSZAECZTFTR-SFHVURJKSA-N	1	1	411.510	1.762	20	0		HDADMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804091323	1075389466	/nfs/dbraw/zinc/38/94/66/1075389466.db2.gz	YJQOESXEAHQRIP-IRXDYDNUSA-N	1	1	421.542	1.992	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=CC[N@@H+](C)CC1	ZINC000804093109	1075393863	/nfs/dbraw/zinc/39/38/63/1075393863.db2.gz	XFCWSSIDKVPZRO-USXIJHARSA-N	1	1	408.543	1.705	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1	ZINC000676123940	1075394995	/nfs/dbraw/zinc/39/49/95/1075394995.db2.gz	DJNCWDQSVQSJPQ-TZIWHRDSSA-N	1	1	410.518	1.980	20	0		HDADMO
CC(C)(C)C(=O)NCCNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1	ZINC000804096757	1075395444	/nfs/dbraw/zinc/39/54/44/1075395444.db2.gz	FSXLZOQCVVVJFA-JOCHJYFZSA-N	1	1	402.539	1.293	20	0		HDADMO
O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000676148482	1075398976	/nfs/dbraw/zinc/39/89/76/1075398976.db2.gz	WKIHPBCBFXOYRV-KURKYZTESA-N	1	1	414.472	1.805	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)NCCCCN3CC[NH+](C)CC3)n2)cc1	ZINC000548653250	1075410224	/nfs/dbraw/zinc/41/02/24/1075410224.db2.gz	YDROSGYFPGINQJ-UHFFFAOYSA-N	1	1	400.527	2.089	20	0		HDADMO
CN(C)c1nc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cs1	ZINC000676161291	1075414497	/nfs/dbraw/zinc/41/44/97/1075414497.db2.gz	ZQVIOZMQJIJOFD-SJLPKXTDSA-N	1	1	403.552	1.891	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H]1c1ccc(O)cc1	ZINC000676187252	1075418047	/nfs/dbraw/zinc/41/80/47/1075418047.db2.gz	ALHZTEBTNROSSK-UXHICEINSA-N	1	1	401.507	1.769	20	0		HDADMO
CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000429403372	1075424700	/nfs/dbraw/zinc/42/47/00/1075424700.db2.gz	ILVGYHVVWFIKBH-BXUZGUMPSA-N	1	1	410.305	1.694	20	0		HDADMO
CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000429403372	1075424705	/nfs/dbraw/zinc/42/47/05/1075424705.db2.gz	ILVGYHVVWFIKBH-BXUZGUMPSA-N	1	1	410.305	1.694	20	0		HDADMO
CS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000429403379	1075424977	/nfs/dbraw/zinc/42/49/77/1075424977.db2.gz	ILVGYHVVWFIKBH-SMDDNHRTSA-N	1	1	410.305	1.694	20	0		HDADMO
CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1	ZINC000429403379	1075424980	/nfs/dbraw/zinc/42/49/80/1075424980.db2.gz	ILVGYHVVWFIKBH-SMDDNHRTSA-N	1	1	410.305	1.694	20	0		HDADMO
CC(=O)NCCc1ccc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000676203848	1075426283	/nfs/dbraw/zinc/42/62/83/1075426283.db2.gz	NWFZRKZHRSADPO-IAGOWNOFSA-N	1	1	411.568	1.533	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000439420535	1075426546	/nfs/dbraw/zinc/42/65/46/1075426546.db2.gz	JPZANUJTTMNIEE-MRXNPFEDSA-N	1	1	416.501	2.280	20	0		HDADMO
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000731655445	1075438748	/nfs/dbraw/zinc/43/87/48/1075438748.db2.gz	MPSLPYVTRUGLHW-FQEVSTJZSA-N	1	1	400.523	1.191	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)CCCNC(=O)OCc2ccccc2)CC1	ZINC000731655605	1075439846	/nfs/dbraw/zinc/43/98/46/1075439846.db2.gz	PXDPSOXMLSEVDS-UHFFFAOYSA-N	1	1	404.511	1.362	20	0		HDADMO
O=S(=O)(c1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1)N1CCOCC1	ZINC000676239534	1075442572	/nfs/dbraw/zinc/44/25/72/1075442572.db2.gz	HKYVAFFBLIQPOR-FQEVSTJZSA-N	1	1	423.579	1.441	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676242076	1075443020	/nfs/dbraw/zinc/44/30/20/1075443020.db2.gz	OFXAKBZNHRPURZ-SJLPKXTDSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676242076	1075443024	/nfs/dbraw/zinc/44/30/24/1075443024.db2.gz	OFXAKBZNHRPURZ-SJLPKXTDSA-N	1	1	424.567	1.380	20	0		HDADMO
COc1cc(Br)c(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1OC	ZINC000676244127	1075445284	/nfs/dbraw/zinc/44/52/84/1075445284.db2.gz	PFMDKXHPZYPTNA-MEDUHNTESA-N	1	1	416.316	1.985	20	0		HDADMO
COc1cc(Br)c(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OC	ZINC000676244127	1075445289	/nfs/dbraw/zinc/44/52/89/1075445289.db2.gz	PFMDKXHPZYPTNA-MEDUHNTESA-N	1	1	416.316	1.985	20	0		HDADMO
C[C@@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676243710	1075445883	/nfs/dbraw/zinc/44/58/83/1075445883.db2.gz	UAVYFMPEWSLHJD-XLIONFOSSA-N	1	1	402.539	1.629	20	0		HDADMO
C[C@@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676243710	1075445885	/nfs/dbraw/zinc/44/58/85/1075445885.db2.gz	UAVYFMPEWSLHJD-XLIONFOSSA-N	1	1	402.539	1.629	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248072	1075447884	/nfs/dbraw/zinc/44/78/84/1075447884.db2.gz	MCNUBKFDPVEZMD-VIPLHTEESA-N	1	1	418.538	1.454	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248072	1075447889	/nfs/dbraw/zinc/44/78/89/1075447889.db2.gz	MCNUBKFDPVEZMD-VIPLHTEESA-N	1	1	418.538	1.454	20	0		HDADMO
C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257813	1075452639	/nfs/dbraw/zinc/45/26/39/1075452639.db2.gz	KKUWHJPRICUSJA-DOMZBBRYSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257813	1075452641	/nfs/dbraw/zinc/45/26/41/1075452641.db2.gz	KKUWHJPRICUSJA-DOMZBBRYSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676257871	1075452723	/nfs/dbraw/zinc/45/27/23/1075452723.db2.gz	MWJVNKZHZJWBOL-MGPUTAFESA-N	1	1	407.470	1.932	20	0		HDADMO
C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676257871	1075452724	/nfs/dbraw/zinc/45/27/24/1075452724.db2.gz	MWJVNKZHZJWBOL-MGPUTAFESA-N	1	1	407.470	1.932	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1	ZINC000676257777	1075452739	/nfs/dbraw/zinc/45/27/39/1075452739.db2.gz	JTFUUOPBMQBFPA-JLZZUVOBSA-N	1	1	412.328	1.852	20	0		HDADMO
CC(=O)N[C@H](CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1	ZINC000676257777	1075452743	/nfs/dbraw/zinc/45/27/43/1075452743.db2.gz	JTFUUOPBMQBFPA-JLZZUVOBSA-N	1	1	412.328	1.852	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259091	1075453720	/nfs/dbraw/zinc/45/37/20/1075453720.db2.gz	HFURTHNOHBKNSV-ZENOOKHLSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259091	1075453726	/nfs/dbraw/zinc/45/37/26/1075453726.db2.gz	HFURTHNOHBKNSV-ZENOOKHLSA-N	1	1	410.312	1.637	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OC	ZINC000676259029	1075454757	/nfs/dbraw/zinc/45/47/57/1075454757.db2.gz	ZVKZZQVAYBASPR-YOEHRIQHSA-N	1	1	413.540	1.175	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OC	ZINC000676259029	1075454759	/nfs/dbraw/zinc/45/47/59/1075454759.db2.gz	ZVKZZQVAYBASPR-YOEHRIQHSA-N	1	1	413.540	1.175	20	0		HDADMO
C[C@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676260084	1075455828	/nfs/dbraw/zinc/45/58/28/1075455828.db2.gz	DHFPMYGSQRYHGS-YOEHRIQHSA-N	1	1	416.478	1.746	20	0		HDADMO
C[C@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260084	1075455831	/nfs/dbraw/zinc/45/58/31/1075455831.db2.gz	DHFPMYGSQRYHGS-YOEHRIQHSA-N	1	1	416.478	1.746	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676259798	1075456501	/nfs/dbraw/zinc/45/65/01/1075456501.db2.gz	BUNUAMGCWJGRJP-RHSMWYFYSA-N	1	1	412.556	1.745	20	0		HDADMO
C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259798	1075456502	/nfs/dbraw/zinc/45/65/02/1075456502.db2.gz	BUNUAMGCWJGRJP-RHSMWYFYSA-N	1	1	412.556	1.745	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@H+](C)CCO1	ZINC000676261107	1075457805	/nfs/dbraw/zinc/45/78/05/1075457805.db2.gz	KFOLMMPHKUPOAK-JLJPHGGASA-N	1	1	413.440	1.889	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@@H+](C)CCO1	ZINC000676261107	1075457807	/nfs/dbraw/zinc/45/78/07/1075457807.db2.gz	KFOLMMPHKUPOAK-JLJPHGGASA-N	1	1	413.440	1.889	20	0		HDADMO
COc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676262476	1075461629	/nfs/dbraw/zinc/46/16/29/1075461629.db2.gz	ZNFRWJURXPZKJM-CJNGLKHVSA-N	1	1	413.540	1.221	20	0		HDADMO
COc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676262476	1075461633	/nfs/dbraw/zinc/46/16/33/1075461633.db2.gz	ZNFRWJURXPZKJM-CJNGLKHVSA-N	1	1	413.540	1.221	20	0		HDADMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731682470	1075464692	/nfs/dbraw/zinc/46/46/92/1075464692.db2.gz	SNLVDJIITDDAHQ-KRWDZBQOSA-N	1	1	402.605	1.307	20	0		HDADMO
C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248320	1075465991	/nfs/dbraw/zinc/46/59/91/1075465991.db2.gz	CASFSCKSASTWRD-WFASDCNBSA-N	1	1	400.321	1.711	20	0		HDADMO
C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248320	1075465994	/nfs/dbraw/zinc/46/59/94/1075465994.db2.gz	CASFSCKSASTWRD-WFASDCNBSA-N	1	1	400.321	1.711	20	0		HDADMO
O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(n2cc(Br)cn2)CC1	ZINC000731684191	1075467527	/nfs/dbraw/zinc/46/75/27/1075467527.db2.gz	RGPAVGQMHSRPLJ-CVEARBPZSA-N	1	1	412.332	1.855	20	0		HDADMO
CCNS(=O)(=O)CCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1	ZINC000731684755	1075469583	/nfs/dbraw/zinc/46/95/83/1075469583.db2.gz	CAWMKIQPSSDGNM-QGZVFWFLSA-N	1	1	416.975	1.933	20	0		HDADMO
C[C@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252268	1075470029	/nfs/dbraw/zinc/47/00/29/1075470029.db2.gz	QWXXXAXBYNYGHX-YJBOKZPZSA-N	1	1	413.540	1.220	20	0		HDADMO
C[C@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252268	1075470033	/nfs/dbraw/zinc/47/00/33/1075470033.db2.gz	QWXXXAXBYNYGHX-YJBOKZPZSA-N	1	1	413.540	1.220	20	0		HDADMO
Cc1c[nH+]c(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc1N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000444073501	1075472819	/nfs/dbraw/zinc/47/28/19/1075472819.db2.gz	KJOQJQMHWZMHTC-CABCVRRESA-N	1	1	402.543	2.408	20	0		HDADMO
CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676277916	1075476257	/nfs/dbraw/zinc/47/62/57/1075476257.db2.gz	DGIOZOHTWMJEAP-DYVFJYSZSA-N	1	1	413.902	1.529	20	0		HDADMO
CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277916	1075476260	/nfs/dbraw/zinc/47/62/60/1075476260.db2.gz	DGIOZOHTWMJEAP-DYVFJYSZSA-N	1	1	413.902	1.529	20	0		HDADMO
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c2)n1	ZINC000676277846	1075477417	/nfs/dbraw/zinc/47/74/17/1075477417.db2.gz	BWEFINDAIXBLTD-DYVFJYSZSA-N	1	1	413.478	1.185	20	0		HDADMO
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c2)n1	ZINC000676277846	1075477424	/nfs/dbraw/zinc/47/74/24/1075477424.db2.gz	BWEFINDAIXBLTD-DYVFJYSZSA-N	1	1	413.478	1.185	20	0		HDADMO
CC(C)OCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676278211	1075477944	/nfs/dbraw/zinc/47/79/44/1075477944.db2.gz	FYCQKIHSGIBSIG-QFBILLFUSA-N	1	1	407.511	1.402	20	0		HDADMO
CC(C)OCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676278211	1075477950	/nfs/dbraw/zinc/47/79/50/1075477950.db2.gz	FYCQKIHSGIBSIG-QFBILLFUSA-N	1	1	407.511	1.402	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676277648	1075478053	/nfs/dbraw/zinc/47/80/53/1075478053.db2.gz	BUMCZSNQKKDZNJ-JXFKEZNVSA-N	1	1	424.501	1.390	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676277648	1075478057	/nfs/dbraw/zinc/47/80/57/1075478057.db2.gz	BUMCZSNQKKDZNJ-JXFKEZNVSA-N	1	1	424.501	1.390	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278989	1075479205	/nfs/dbraw/zinc/47/92/05/1075479205.db2.gz	LFKLLHHMRUXTLQ-BEFAXECRSA-N	1	1	407.474	1.775	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278989	1075479207	/nfs/dbraw/zinc/47/92/07/1075479207.db2.gz	LFKLLHHMRUXTLQ-BEFAXECRSA-N	1	1	407.474	1.775	20	0		HDADMO
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)c2)n1	ZINC000676278945	1075479263	/nfs/dbraw/zinc/47/92/63/1075479263.db2.gz	KVAJCECBDUVCCL-BBRMVZONSA-N	1	1	401.467	1.381	20	0		HDADMO
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)c2)n1	ZINC000676278945	1075479265	/nfs/dbraw/zinc/47/92/65/1075479265.db2.gz	KVAJCECBDUVCCL-BBRMVZONSA-N	1	1	401.467	1.381	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1C[N@H+](C)CCO1	ZINC000676279329	1075481540	/nfs/dbraw/zinc/48/15/40/1075481540.db2.gz	NFZCCFZCHSCMNV-QPUJVOFHSA-N	1	1	406.227	1.501	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1C[N@@H+](C)CCO1	ZINC000676279329	1075481544	/nfs/dbraw/zinc/48/15/44/1075481544.db2.gz	NFZCCFZCHSCMNV-QPUJVOFHSA-N	1	1	406.227	1.501	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1C[N@H+](C)CCO1	ZINC000676280008	1075481928	/nfs/dbraw/zinc/48/19/28/1075481928.db2.gz	SKSMLFSYNJNUNG-QMTHXVAHSA-N	1	1	414.275	1.313	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1C[N@@H+](C)CCO1	ZINC000676280008	1075481931	/nfs/dbraw/zinc/48/19/31/1075481931.db2.gz	SKSMLFSYNJNUNG-QMTHXVAHSA-N	1	1	414.275	1.313	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676279349	1075483817	/nfs/dbraw/zinc/48/38/17/1075483817.db2.gz	OLLNJJGCIAWMQV-MAUKXSAKSA-N	1	1	402.495	1.087	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279349	1075483819	/nfs/dbraw/zinc/48/38/19/1075483819.db2.gz	OLLNJJGCIAWMQV-MAUKXSAKSA-N	1	1	402.495	1.087	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000429416936	1075483884	/nfs/dbraw/zinc/48/38/84/1075483884.db2.gz	FKBNHCIHWSCNBV-GFCCVEGCSA-N	1	1	407.305	1.931	20	0		HDADMO
CCS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1	ZINC000543667951	1075483931	/nfs/dbraw/zinc/48/39/31/1075483931.db2.gz	LSYFNWGLCRKZFG-GOSISDBHSA-N	1	1	402.605	1.715	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1C[N@H+](C)CCO1	ZINC000676279573	1075483908	/nfs/dbraw/zinc/48/39/08/1075483908.db2.gz	CYAIBZMPBYTFSK-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1C[N@@H+](C)CCO1	ZINC000676279573	1075483911	/nfs/dbraw/zinc/48/39/11/1075483911.db2.gz	CYAIBZMPBYTFSK-TVQRCGJNSA-N	1	1	404.692	1.876	20	0		HDADMO
CC[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1c(C)noc1C	ZINC000544460132	1075484883	/nfs/dbraw/zinc/48/48/83/1075484883.db2.gz	ZMBRBPUOWOEHLY-ULQDDVLXSA-N	1	1	413.540	1.527	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1OCC1CCOCC1	ZINC000676280740	1075485932	/nfs/dbraw/zinc/48/59/32/1075485932.db2.gz	WEIVYUDBRWCCMI-OXJNMPFZSA-N	1	1	419.522	1.574	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OCC1CCOCC1	ZINC000676280740	1075485936	/nfs/dbraw/zinc/48/59/36/1075485936.db2.gz	WEIVYUDBRWCCMI-OXJNMPFZSA-N	1	1	419.522	1.574	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(OC[C@@H]2CCCO2)c1	ZINC000676280351	1075487265	/nfs/dbraw/zinc/48/72/65/1075487265.db2.gz	RYTJZWNZNVSCIK-GJYPPUQNSA-N	1	1	405.495	1.327	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OC[C@@H]2CCCO2)c1	ZINC000676280351	1075487268	/nfs/dbraw/zinc/48/72/68/1075487268.db2.gz	RYTJZWNZNVSCIK-GJYPPUQNSA-N	1	1	405.495	1.327	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281826	1075488359	/nfs/dbraw/zinc/48/83/59/1075488359.db2.gz	XNSWSUXRNHRSGD-BBRMVZONSA-N	1	1	403.508	1.345	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281826	1075488362	/nfs/dbraw/zinc/48/83/62/1075488362.db2.gz	XNSWSUXRNHRSGD-BBRMVZONSA-N	1	1	403.508	1.345	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[C@@H]1C[N@H+](C)CCO1	ZINC000676289853	1075494526	/nfs/dbraw/zinc/49/45/26/1075494526.db2.gz	JLWMDRQQPFMLFJ-FDRFZEDHSA-N	1	1	407.511	1.552	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[C@@H]1C[N@@H+](C)CCO1	ZINC000676289853	1075494527	/nfs/dbraw/zinc/49/45/27/1075494527.db2.gz	JLWMDRQQPFMLFJ-FDRFZEDHSA-N	1	1	407.511	1.552	20	0		HDADMO
Cc1nc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)sc1S(N)(=O)=O	ZINC000558756818	1075494647	/nfs/dbraw/zinc/49/46/47/1075494647.db2.gz	OODRCAHRFCTDQB-MRXNPFEDSA-N	1	1	409.581	1.890	20	0		HDADMO
Cc1nc(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)sc1S(N)(=O)=O	ZINC000549257950	1075495032	/nfs/dbraw/zinc/49/50/32/1075495032.db2.gz	WZXAQTJBZKBTOI-UHFFFAOYSA-N	1	1	415.972	1.986	20	0		HDADMO
C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@H]1C[N@H+](C)CCO1	ZINC000676290431	1075495511	/nfs/dbraw/zinc/49/55/11/1075495511.db2.gz	OCLXUWRMYPXBGH-WDEREUQCSA-N	1	1	404.330	1.418	20	0		HDADMO
C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@H]1C[N@@H+](C)CCO1	ZINC000676290431	1075495517	/nfs/dbraw/zinc/49/55/17/1075495517.db2.gz	OCLXUWRMYPXBGH-WDEREUQCSA-N	1	1	404.330	1.418	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC[N@@H+]1CCO	ZINC000429420337	1075496628	/nfs/dbraw/zinc/49/66/28/1075496628.db2.gz	SLEFCYRUCLSVCL-RDJZCZTQSA-N	1	1	411.524	1.170	20	0		HDADMO
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC[N@H+]1CCO	ZINC000429420337	1075496631	/nfs/dbraw/zinc/49/66/31/1075496631.db2.gz	SLEFCYRUCLSVCL-RDJZCZTQSA-N	1	1	411.524	1.170	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676294064	1075497351	/nfs/dbraw/zinc/49/73/51/1075497351.db2.gz	VVYNLPACPLHLKW-KFKAGJAMSA-N	1	1	404.511	1.114	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676294064	1075497355	/nfs/dbraw/zinc/49/73/55/1075497355.db2.gz	VVYNLPACPLHLKW-KFKAGJAMSA-N	1	1	404.511	1.114	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000676296990	1075499280	/nfs/dbraw/zinc/49/92/80/1075499280.db2.gz	IPRXDHFTJVKAIZ-AZUAARDMSA-N	1	1	401.555	1.312	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676303724	1075502241	/nfs/dbraw/zinc/50/22/41/1075502241.db2.gz	HUUPPFWDDVCSKN-ZYSHUDEJSA-N	1	1	410.946	1.420	20	0		HDADMO
C[C@H](NC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676303724	1075502246	/nfs/dbraw/zinc/50/22/46/1075502246.db2.gz	HUUPPFWDDVCSKN-ZYSHUDEJSA-N	1	1	410.946	1.420	20	0		HDADMO
C[C@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676304323	1075503181	/nfs/dbraw/zinc/50/31/81/1075503181.db2.gz	KVIVFLJYRGAWDH-WMLDXEAASA-N	1	1	400.483	1.740	20	0		HDADMO
C[C@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676304323	1075503186	/nfs/dbraw/zinc/50/31/86/1075503186.db2.gz	KVIVFLJYRGAWDH-WMLDXEAASA-N	1	1	400.483	1.740	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2=O)c1	ZINC000676306231	1075503462	/nfs/dbraw/zinc/50/34/62/1075503462.db2.gz	KTFPZLKVBSZOFP-ZOCIIQOWSA-N	1	1	420.510	1.170	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2=O)c1	ZINC000676306231	1075503464	/nfs/dbraw/zinc/50/34/64/1075503464.db2.gz	KTFPZLKVBSZOFP-ZOCIIQOWSA-N	1	1	420.510	1.170	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000676307133	1075503928	/nfs/dbraw/zinc/50/39/28/1075503928.db2.gz	XXNWRLWCIZWLDR-GRDNDAEWSA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000676307133	1075503930	/nfs/dbraw/zinc/50/39/30/1075503930.db2.gz	XXNWRLWCIZWLDR-GRDNDAEWSA-N	1	1	419.444	1.806	20	0		HDADMO
Cc1n[nH]cc1-c1nnc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000445004215	1075505262	/nfs/dbraw/zinc/50/52/62/1075505262.db2.gz	FQUQGOOEIMGHRE-LJQANCHMSA-N	1	1	413.507	1.995	20	0		HDADMO
O=C(NCCc1cccs1)C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1	ZINC000676307942	1075505228	/nfs/dbraw/zinc/50/52/28/1075505228.db2.gz	HAZKJXGWFRQSMU-UHFFFAOYSA-N	1	1	401.536	1.950	20	0		HDADMO
CC(C)(C)N1CC[C@H]([NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1=O	ZINC001035754036	1075505680	/nfs/dbraw/zinc/50/56/80/1075505680.db2.gz	BIBHNYGYUFWWOD-SGYMCOKNSA-N	1	1	401.551	1.734	20	0		HDADMO
O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000676317961	1075506813	/nfs/dbraw/zinc/50/68/13/1075506813.db2.gz	RIHAFGVNQKDJPT-IBGZPJMESA-N	1	1	418.563	1.221	20	0		HDADMO
C[C@H](C(=O)N1CCCCC1)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035758706	1075507162	/nfs/dbraw/zinc/50/71/62/1075507162.db2.gz	XSWBUXSIWAEXOU-NADOGSGZSA-N	1	1	401.551	1.735	20	0		HDADMO
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000731750698	1075508340	/nfs/dbraw/zinc/50/83/40/1075508340.db2.gz	GCLMAYBODKTRLO-QGZVFWFLSA-N	1	1	418.542	1.457	20	0		HDADMO
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000731750698	1075508343	/nfs/dbraw/zinc/50/83/43/1075508343.db2.gz	GCLMAYBODKTRLO-QGZVFWFLSA-N	1	1	418.542	1.457	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c1	ZINC000676311453	1075509396	/nfs/dbraw/zinc/50/93/96/1075509396.db2.gz	SHYRMVBCHOKROB-GOSISDBHSA-N	1	1	411.506	1.738	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676334582	1075510514	/nfs/dbraw/zinc/51/05/14/1075510514.db2.gz	ZWZMNPQVZDGXTF-YLJYHZDGSA-N	1	1	403.523	1.529	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676334582	1075510521	/nfs/dbraw/zinc/51/05/21/1075510521.db2.gz	ZWZMNPQVZDGXTF-YLJYHZDGSA-N	1	1	403.523	1.529	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1	ZINC000676337312	1075511981	/nfs/dbraw/zinc/51/19/81/1075511981.db2.gz	RGSAUWJBEUQTLV-UHFFFAOYSA-N	1	1	417.466	1.107	20	0		HDADMO
CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCc2ccc(OCCOC)cc2)CC1	ZINC000676341394	1075514834	/nfs/dbraw/zinc/51/48/34/1075514834.db2.gz	BEJKXJFAQJBIHH-UHFFFAOYSA-N	1	1	417.510	1.525	20	0		HDADMO
CCCCCCNC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	ZINC000731761770	1075516756	/nfs/dbraw/zinc/51/67/56/1075516756.db2.gz	CPEICNSONKFLIL-SFHVURJKSA-N	1	1	423.602	1.657	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1	ZINC000731761874	1075516818	/nfs/dbraw/zinc/51/68/18/1075516818.db2.gz	LDFJURKVXXOLAP-UHFFFAOYSA-N	1	1	403.483	1.313	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)NC(C)(C)C	ZINC000429426477	1075519119	/nfs/dbraw/zinc/51/91/19/1075519119.db2.gz	MIKOQZDAVPUQSH-HNNXBMFYSA-N	1	1	412.556	1.602	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)NC(C)(C)C	ZINC000429426477	1075519122	/nfs/dbraw/zinc/51/91/22/1075519122.db2.gz	MIKOQZDAVPUQSH-HNNXBMFYSA-N	1	1	412.556	1.602	20	0		HDADMO
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676346616	1075519758	/nfs/dbraw/zinc/51/97/58/1075519758.db2.gz	BWSOXXJNTCUTBK-LUKYLMHMSA-N	1	1	412.575	1.048	20	0		HDADMO
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676346616	1075519760	/nfs/dbraw/zinc/51/97/60/1075519760.db2.gz	BWSOXXJNTCUTBK-LUKYLMHMSA-N	1	1	412.575	1.048	20	0		HDADMO
Cc1nc(NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nn1C	ZINC000551246902	1075522353	/nfs/dbraw/zinc/52/23/53/1075522353.db2.gz	DYRJYVHLAALGRG-VQTJNVASSA-N	1	1	418.501	1.846	20	0		HDADMO
C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@H]1C[N@H+](C)CCO1	ZINC000676333660	1075523462	/nfs/dbraw/zinc/52/34/62/1075523462.db2.gz	NCUKCPUYBFGDDU-APHBMKBZSA-N	1	1	408.886	1.380	20	0		HDADMO
C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000676333660	1075523467	/nfs/dbraw/zinc/52/34/67/1075523467.db2.gz	NCUKCPUYBFGDDU-APHBMKBZSA-N	1	1	408.886	1.380	20	0		HDADMO
CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1	ZINC000731827065	1075525655	/nfs/dbraw/zinc/52/56/55/1075525655.db2.gz	RMIOGHDWRKVACK-OAHLLOKOSA-N	1	1	419.551	1.548	20	0		HDADMO
Cc1ccc(N2CCC(C(=O)N3CCN(c4nccn5cnnc45)[C@H](C)C3)CC2)[nH+]c1	ZINC000676369007	1075526604	/nfs/dbraw/zinc/52/66/04/1075526604.db2.gz	WEHBIPJKFNHBEW-QGZVFWFLSA-N	1	1	420.521	1.781	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](N2CCN(c3cc(OC)cc[nH+]3)CC2)C1=O	ZINC000466729949	1075528363	/nfs/dbraw/zinc/52/83/63/1075528363.db2.gz	COUJQCPWYHOOSY-INIZCTEOSA-N	1	1	416.503	1.866	20	0		HDADMO
CN(C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[C@@H]1CCCC[C@H]1O	ZINC000429428929	1075529807	/nfs/dbraw/zinc/52/98/07/1075529807.db2.gz	PUWOYLQUFCECCG-RTBURBONSA-N	1	1	424.567	1.780	20	0		HDADMO
CN(C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[C@@H]1CCCC[C@H]1O	ZINC000429428929	1075529811	/nfs/dbraw/zinc/52/98/11/1075529811.db2.gz	PUWOYLQUFCECCG-RTBURBONSA-N	1	1	424.567	1.780	20	0		HDADMO
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1	ZINC000731850308	1075532537	/nfs/dbraw/zinc/53/25/37/1075532537.db2.gz	UVHLEMNCADZCOL-QGZVFWFLSA-N	1	1	419.526	1.051	20	0		HDADMO
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)C1	ZINC000676359409	1075532841	/nfs/dbraw/zinc/53/28/41/1075532841.db2.gz	QDZJHGCFIIZDAP-IAGOWNOFSA-N	1	1	414.506	1.423	20	0		HDADMO
CCc1nc(C[NH+]2CCC(CNc3nc(C)c(S(N)(=O)=O)s3)CC2)cs1	ZINC000571770864	1075537756	/nfs/dbraw/zinc/53/77/56/1075537756.db2.gz	YGQUFNWZMQQZSC-UHFFFAOYSA-N	1	1	415.610	2.442	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)nn2)cc1F	ZINC000572023128	1075541907	/nfs/dbraw/zinc/54/19/07/1075541907.db2.gz	KYFGOCOCXHMCIO-UHFFFAOYSA-N	1	1	412.425	2.152	20	0		HDADMO
CC(C)C[N@@H+]1CCO[C@@H](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804143362	1075542773	/nfs/dbraw/zinc/54/27/73/1075542773.db2.gz	ANTSKUWETSBEAD-OXQOHEQNSA-N	1	1	423.535	1.214	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804143362	1075542776	/nfs/dbraw/zinc/54/27/76/1075542776.db2.gz	ANTSKUWETSBEAD-OXQOHEQNSA-N	1	1	423.535	1.214	20	0		HDADMO
CC(C)NC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000731842971	1075548467	/nfs/dbraw/zinc/54/84/67/1075548467.db2.gz	SRMGWAFBOUKVAB-IBGZPJMESA-N	1	1	416.522	1.477	20	0		HDADMO
Cc1c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000676454450	1075559460	/nfs/dbraw/zinc/55/94/60/1075559460.db2.gz	LAQBZNROTKGRMS-UHFFFAOYSA-N	1	1	417.477	1.940	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000731900273	1075562570	/nfs/dbraw/zinc/56/25/70/1075562570.db2.gz	MQOMBSHZXFZQGW-HNNXBMFYSA-N	1	1	409.918	1.509	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1	ZINC000731899990	1075562858	/nfs/dbraw/zinc/56/28/58/1075562858.db2.gz	ZXSZRQWPOGYNDG-OAHLLOKOSA-N	1	1	400.501	1.101	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(OCc4ccccc4)CCOCC3)CC2)C1	ZINC000676473898	1075564228	/nfs/dbraw/zinc/56/42/28/1075564228.db2.gz	UBPUDGFYROVCQA-OAQYLSRUSA-N	1	1	401.551	1.991	20	0		HDADMO
CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000509416857	1075565966	/nfs/dbraw/zinc/56/59/66/1075565966.db2.gz	NUFNMGWGHHONLH-VQTJNVASSA-N	1	1	410.603	1.897	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1	ZINC000804221764	1075567801	/nfs/dbraw/zinc/56/78/01/1075567801.db2.gz	VGFFGCMZNFVQGS-JKSUJKDBSA-N	1	1	422.545	1.811	20	0		HDADMO
C[C@H]1COCCCN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000676504042	1075570985	/nfs/dbraw/zinc/57/09/85/1075570985.db2.gz	QIDQZANRCFCWRZ-KRWDZBQOSA-N	1	1	404.511	1.668	20	0		HDADMO
CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)CCO2	ZINC000676505161	1075571319	/nfs/dbraw/zinc/57/13/19/1075571319.db2.gz	OQPNAJWXHOWHPQ-IBGZPJMESA-N	1	1	418.538	1.121	20	0		HDADMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1COc2ccccc2C1	ZINC000731961894	1075577371	/nfs/dbraw/zinc/57/73/71/1075577371.db2.gz	BSDGOEFRHZVIIF-YLJYHZDGSA-N	1	1	401.507	1.067	20	0		HDADMO
C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1nc2ccccc2s1	ZINC000804166276	1075580471	/nfs/dbraw/zinc/58/04/71/1075580471.db2.gz	ZIJMGUFGVREXFP-ZDUSSCGKSA-N	1	1	417.535	1.142	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1	ZINC000676543545	1075581000	/nfs/dbraw/zinc/58/10/00/1075581000.db2.gz	STACTBWOUQJMPE-SFHVURJKSA-N	1	1	417.535	1.276	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C[C@@H](C)O1	ZINC000676544132	1075581810	/nfs/dbraw/zinc/58/18/10/1075581810.db2.gz	LKSZLJYJDTZKMX-HZPDHXFCSA-N	1	1	414.510	1.269	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1	ZINC000731984662	1075583627	/nfs/dbraw/zinc/58/36/27/1075583627.db2.gz	MUZMBUSXJSUHIN-KKMIYCERSA-N	1	1	421.501	1.790	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000446872210	1075585565	/nfs/dbraw/zinc/58/55/65/1075585565.db2.gz	KGQFYASWDUWNLN-LJQANCHMSA-N	1	1	404.474	1.939	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446872210	1075585569	/nfs/dbraw/zinc/58/55/69/1075585569.db2.gz	KGQFYASWDUWNLN-LJQANCHMSA-N	1	1	404.474	1.939	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000444528995	1075586279	/nfs/dbraw/zinc/58/62/79/1075586279.db2.gz	ZXFLMNWKWIOGAG-INIZCTEOSA-N	1	1	405.449	2.210	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1	ZINC000524701330	1075591075	/nfs/dbraw/zinc/59/10/75/1075591075.db2.gz	JBPYBFATHAAEAJ-UHFFFAOYSA-N	1	1	420.514	1.942	20	0		HDADMO
CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732035306	1075592201	/nfs/dbraw/zinc/59/22/01/1075592201.db2.gz	LSCKMKAQFQHVJL-INIZCTEOSA-N	1	1	411.499	1.155	20	0		HDADMO
CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732036918	1075592507	/nfs/dbraw/zinc/59/25/07/1075592507.db2.gz	ZBNCZZSCCOVGQC-KRWDZBQOSA-N	1	1	416.547	1.543	20	0		HDADMO
COCc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000509423522	1075595213	/nfs/dbraw/zinc/59/52/13/1075595213.db2.gz	YNCLRIHRAGNRMO-LJQANCHMSA-N	1	1	420.531	1.539	20	0		HDADMO
COCc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000509423522	1075595218	/nfs/dbraw/zinc/59/52/18/1075595218.db2.gz	YNCLRIHRAGNRMO-LJQANCHMSA-N	1	1	420.531	1.539	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@@H+](C)Cc1ccccc1	ZINC000676549632	1075597598	/nfs/dbraw/zinc/59/75/98/1075597598.db2.gz	FMBWMEQSXADWFH-KRWDZBQOSA-N	1	1	406.490	1.902	20	0		HDADMO
CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC000732060873	1075597991	/nfs/dbraw/zinc/59/79/91/1075597991.db2.gz	VQLVIAZTXZUGAV-RNVJXAMWSA-N	1	1	411.593	1.766	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccccc3N3CCOCC3)CC2)CC1	ZINC000509423325	1075598776	/nfs/dbraw/zinc/59/87/76/1075598776.db2.gz	NGFUOIARMWLGGC-UHFFFAOYSA-N	1	1	400.523	1.149	20	0		HDADMO
COC1(CNC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCOCC1	ZINC000676573567	1075599967	/nfs/dbraw/zinc/59/99/67/1075599967.db2.gz	MEHXOCSKYMPSCF-IBGZPJMESA-N	1	1	418.538	1.379	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1	ZINC000446788241	1075602492	/nfs/dbraw/zinc/60/24/92/1075602492.db2.gz	VYRNHIJZBPJOJN-HUUCEWRRSA-N	1	1	415.460	2.497	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1	ZINC000732095895	1075610103	/nfs/dbraw/zinc/61/01/03/1075610103.db2.gz	ODLYQZDHFXXVBL-UHFFFAOYSA-N	1	1	415.943	1.529	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1	ZINC000429722128	1075614548	/nfs/dbraw/zinc/61/45/48/1075614548.db2.gz	KQMHPUBGPCHMFN-OAHLLOKOSA-N	1	1	405.524	1.568	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)c1ccccc1Cl	ZINC000426236419	1075615367	/nfs/dbraw/zinc/61/53/67/1075615367.db2.gz	HIPCETHSKYOHTF-AWEZNQCLSA-N	1	1	409.947	1.908	20	0		HDADMO
CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)CC3(CS(C)(=O)=O)CC3)CC2)cc1	ZINC001273248051	1075633368	/nfs/dbraw/zinc/63/33/68/1075633368.db2.gz	YAAQCKXCFJPDFV-UHFFFAOYSA-N	1	1	421.563	1.941	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000732139952	1075647198	/nfs/dbraw/zinc/64/71/98/1075647198.db2.gz	VTSPWHUIDPNTEP-HNNXBMFYSA-N	1	1	413.515	1.451	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1	ZINC000732139318	1075647289	/nfs/dbraw/zinc/64/72/89/1075647289.db2.gz	NGLQTUSQNLIFJU-JHRJRCTKSA-N	1	1	412.534	1.780	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000732147752	1075649081	/nfs/dbraw/zinc/64/90/81/1075649081.db2.gz	SYPMLCUBBKZKCF-QGZVFWFLSA-N	1	1	422.529	1.887	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1Cl	ZINC000732150136	1075650683	/nfs/dbraw/zinc/65/06/83/1075650683.db2.gz	XSSNEADDSDBODC-HNNXBMFYSA-N	1	1	416.975	1.346	20	0		HDADMO
Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000027345334	1075652553	/nfs/dbraw/zinc/65/25/53/1075652553.db2.gz	QZPHVGXGHUTNPG-KRWDZBQOSA-N	1	1	410.927	1.893	20	0		HDADMO
CN(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732188033	1075653681	/nfs/dbraw/zinc/65/36/81/1075653681.db2.gz	DMBNPLAASIURDM-XCLLZBPDSA-N	1	1	400.523	1.872	20	0		HDADMO
CN(Cn1nc(N2CCOCC2)n(C[C@@H]2CCCO2)c1=S)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732190050	1075655036	/nfs/dbraw/zinc/65/50/36/1075655036.db2.gz	WHPURZRAPHEQIA-MSOLQXFVSA-N	1	1	422.599	1.556	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000732195038	1075656645	/nfs/dbraw/zinc/65/66/45/1075656645.db2.gz	GBALAQFNVFCAED-QGZVFWFLSA-N	1	1	415.538	1.912	20	0		HDADMO
CC(C)CN(C(=O)CON=C(N)C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000732195154	1075657109	/nfs/dbraw/zinc/65/71/09/1075657109.db2.gz	JJMDVAZSNSTBHA-JKSUJKDBSA-N	1	1	402.561	1.031	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)C1	ZINC000732206768	1075664054	/nfs/dbraw/zinc/66/40/54/1075664054.db2.gz	BEARTJRZOJAMCQ-MRXNPFEDSA-N	1	1	412.490	1.630	20	0		HDADMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)C1	ZINC000732206768	1075664057	/nfs/dbraw/zinc/66/40/57/1075664057.db2.gz	BEARTJRZOJAMCQ-MRXNPFEDSA-N	1	1	412.490	1.630	20	0		HDADMO
Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732210449	1075667162	/nfs/dbraw/zinc/66/71/62/1075667162.db2.gz	IEAQQXCATYOORK-LJQANCHMSA-N	1	1	400.523	1.869	20	0		HDADMO
Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000732210449	1075667167	/nfs/dbraw/zinc/66/71/67/1075667167.db2.gz	IEAQQXCATYOORK-LJQANCHMSA-N	1	1	400.523	1.869	20	0		HDADMO
COc1cc(OC)c(CNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c(OC)c1	ZINC000732210135	1075667603	/nfs/dbraw/zinc/66/76/03/1075667603.db2.gz	GHXFZVGOKVOAJW-INIZCTEOSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(OC)c(CNC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c(OC)c1	ZINC000732210135	1075667609	/nfs/dbraw/zinc/66/76/09/1075667609.db2.gz	GHXFZVGOKVOAJW-INIZCTEOSA-N	1	1	419.522	1.806	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000732211820	1075667650	/nfs/dbraw/zinc/66/76/50/1075667650.db2.gz	HCOMBCZNXORBTC-FQEVSTJZSA-N	1	1	412.534	1.672	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000732211820	1075667654	/nfs/dbraw/zinc/66/76/54/1075667654.db2.gz	HCOMBCZNXORBTC-FQEVSTJZSA-N	1	1	412.534	1.672	20	0		HDADMO
Cc1cn2c(n1)CN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CC2	ZINC000676740250	1075672233	/nfs/dbraw/zinc/67/22/33/1075672233.db2.gz	OECQYRUPUXCFES-IBGZPJMESA-N	1	1	409.534	1.951	20	0		HDADMO
COC(=O)Nc1ccc(CNC(=O)CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000732201638	1075674686	/nfs/dbraw/zinc/67/46/86/1075674686.db2.gz	IDUXUGVIVJUNPJ-HXUWFJFHSA-N	1	1	417.554	1.583	20	0		HDADMO
C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1c(F)cccc1F	ZINC000443486954	1075676654	/nfs/dbraw/zinc/67/66/54/1075676654.db2.gz	HTPOWBAAKWELHD-DGCLKSJQSA-N	1	1	406.437	2.020	20	0		HDADMO
C[C@@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1c(F)cccc1F	ZINC000443486954	1075676657	/nfs/dbraw/zinc/67/66/57/1075676657.db2.gz	HTPOWBAAKWELHD-DGCLKSJQSA-N	1	1	406.437	2.020	20	0		HDADMO
O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000732246352	1075679386	/nfs/dbraw/zinc/67/93/86/1075679386.db2.gz	RDTOAUQJBJWXQA-CVEARBPZSA-N	1	1	400.479	1.225	20	0		HDADMO
CCCN1C(=O)N(c2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C(=O)[C@H]1C	ZINC000804205668	1075681186	/nfs/dbraw/zinc/68/11/86/1075681186.db2.gz	OTETXSBBNRIHSB-MRXNPFEDSA-N	1	1	401.511	1.464	20	0		HDADMO
COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1	ZINC000732226241	1075683446	/nfs/dbraw/zinc/68/34/46/1075683446.db2.gz	FDBYKKWADZERHD-WHWKNOJMSA-N	1	1	424.519	1.747	20	0		HDADMO
COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000732226241	1075683449	/nfs/dbraw/zinc/68/34/49/1075683449.db2.gz	FDBYKKWADZERHD-WHWKNOJMSA-N	1	1	424.519	1.747	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(N3C(=O)[C@H](COC(C)C)N(C)C3=O)cc2)CC1	ZINC000804210606	1075683693	/nfs/dbraw/zinc/68/36/93/1075683693.db2.gz	PCQYNWIDZQGGJR-IBGZPJMESA-N	1	1	416.522	1.585	20	0		HDADMO
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000732229680	1075684361	/nfs/dbraw/zinc/68/43/61/1075684361.db2.gz	YEVVOGUJUZJBLQ-CVEARBPZSA-N	1	1	418.991	1.531	20	0		HDADMO
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCC[N@H+]1CCC[C@@H]1CO	ZINC000732229680	1075684363	/nfs/dbraw/zinc/68/43/63/1075684363.db2.gz	YEVVOGUJUZJBLQ-CVEARBPZSA-N	1	1	418.991	1.531	20	0		HDADMO
CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001062289333	1075685206	/nfs/dbraw/zinc/68/52/06/1075685206.db2.gz	VIJMPVHJLZVMGY-SGTQZHETSA-N	1	1	400.523	1.927	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2F)CC1	ZINC000732237258	1075686207	/nfs/dbraw/zinc/68/62/07/1075686207.db2.gz	DOXMWPVUJMWSNN-UHFFFAOYSA-N	1	1	401.280	1.598	20	0		HDADMO
CCCCNc1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nc(N)n1	ZINC000583644360	1075691878	/nfs/dbraw/zinc/69/18/78/1075691878.db2.gz	ATGXYBYHIXDRSB-GOSISDBHSA-N	1	1	411.554	2.002	20	0		HDADMO
COC(=O)c1csc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)c1	ZINC000543685173	1075693018	/nfs/dbraw/zinc/69/30/18/1075693018.db2.gz	FLMBTXJHLDLDFG-UHFFFAOYSA-N	1	1	415.581	1.573	20	0		HDADMO
CCO[C@H]1C[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C12CCCCC2	ZINC000429464432	1075693077	/nfs/dbraw/zinc/69/30/77/1075693077.db2.gz	VXUYCXIUPGQNCP-UXHICEINSA-N	1	1	410.603	1.804	20	0		HDADMO
Cn1cc(-c2cc(C[N@H+]3CC[C@@H]4CCN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)C[C@@H]43)on2)cn1	ZINC001084992469	1075697802	/nfs/dbraw/zinc/69/78/02/1075697802.db2.gz	BLVDLRKJURQCSJ-HRUZDNHVSA-N	1	1	423.517	1.921	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@H+](Cc3nc(-c4ccncn4)no3)[C@H]2C1	ZINC001084993101	1075699257	/nfs/dbraw/zinc/69/92/57/1075699257.db2.gz	MAGDSQCOYXOLAB-XKXHMNTPSA-N	1	1	422.489	1.373	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3nc(-c4ccncn4)no3)[C@H]2C1	ZINC001084993101	1075699262	/nfs/dbraw/zinc/69/92/62/1075699262.db2.gz	MAGDSQCOYXOLAB-XKXHMNTPSA-N	1	1	422.489	1.373	20	0		HDADMO
COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000481751624	1075701560	/nfs/dbraw/zinc/70/15/60/1075701560.db2.gz	RGTKMURXZMNJKJ-CXAGYDPISA-N	1	1	405.886	1.838	20	0		HDADMO
COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000481751624	1075701565	/nfs/dbraw/zinc/70/15/65/1075701565.db2.gz	RGTKMURXZMNJKJ-CXAGYDPISA-N	1	1	405.886	1.838	20	0		HDADMO
COc1cc2nc(NC[C@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)nc(N)c2cc1OC	ZINC000536304780	1075702588	/nfs/dbraw/zinc/70/25/88/1075702588.db2.gz	HZQYFXGGONJOBJ-HZPDHXFCSA-N	1	1	409.490	1.698	20	0		HDADMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C[C@@H](C)O1	ZINC000438772134	1075703219	/nfs/dbraw/zinc/70/32/19/1075703219.db2.gz	LXCMXFOLYCVFFZ-ZHALLVOQSA-N	1	1	411.506	1.911	20	0		HDADMO
C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C[C@@H](C)O1	ZINC000568757470	1075705086	/nfs/dbraw/zinc/70/50/86/1075705086.db2.gz	CQBPKWWXAKMGBU-ZIAGYGMSSA-N	1	1	421.448	2.335	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000554849537	1075709447	/nfs/dbraw/zinc/70/94/47/1075709447.db2.gz	ZFVAIVIUZQKTQL-IAGOWNOFSA-N	1	1	412.513	2.115	20	0		HDADMO
CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000509440638	1075711846	/nfs/dbraw/zinc/71/18/46/1075711846.db2.gz	SNCLPLMCLHWEDM-GBESFXJTSA-N	1	1	402.539	1.339	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1	ZINC000462801164	1075714459	/nfs/dbraw/zinc/71/44/59/1075714459.db2.gz	HSQUUYKJIJHMMO-KRWDZBQOSA-N	1	1	409.494	1.876	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H](C)OC(C)(C)C1	ZINC000509438712	1075716481	/nfs/dbraw/zinc/71/64/81/1075716481.db2.gz	NPLUEECESUODII-MSOLQXFVSA-N	1	1	402.539	1.339	20	0		HDADMO
Cc1ccccc1Nc1nc(N)nc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1	ZINC000497506780	1075721180	/nfs/dbraw/zinc/72/11/80/1075721180.db2.gz	QXNFXFLDEIXJFN-DFNIBXOVSA-N	1	1	422.581	1.671	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H](C)C1CCOCC1	ZINC000509441323	1075722364	/nfs/dbraw/zinc/72/23/64/1075722364.db2.gz	VLLFQKOXFABRFR-MSOLQXFVSA-N	1	1	402.539	1.245	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCSC(C)(C)C1	ZINC000509441694	1075732304	/nfs/dbraw/zinc/73/23/04/1075732304.db2.gz	XLKOHPSIFZLLHF-KRWDZBQOSA-N	1	1	404.580	1.667	20	0		HDADMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509257787	1075734506	/nfs/dbraw/zinc/73/45/06/1075734506.db2.gz	VOXRWGJKWHHWSP-CVEARBPZSA-N	1	1	414.597	1.740	20	0		HDADMO
CC[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCCO1	ZINC000509443405	1075737772	/nfs/dbraw/zinc/73/77/72/1075737772.db2.gz	ZXZDAMAEDYIRKY-QUCCMNQESA-N	1	1	402.539	1.341	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@]1(C)CCCS1	ZINC000509443204	1075739178	/nfs/dbraw/zinc/73/91/78/1075739178.db2.gz	YEZMRMKXQGTFQH-UTKZUKDTSA-N	1	1	404.580	1.715	20	0		HDADMO
C[C@@]1(CNC(=O)C(=O)Nc2ccn(CC(F)F)n2)CCC[N@H+]1Cc1ccccc1	ZINC000427488588	1075740073	/nfs/dbraw/zinc/74/00/73/1075740073.db2.gz	WXOJNAJGLIQQSM-FQEVSTJZSA-N	1	1	405.449	2.258	20	0		HDADMO
CC[N@@H+](CCNC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)C1CC1	ZINC000732432860	1075743865	/nfs/dbraw/zinc/74/38/65/1075743865.db2.gz	UCGDKCYFYWGEAR-UHFFFAOYSA-N	1	1	403.527	1.587	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CN2CCCC2=O)CC1	ZINC000732445083	1075746591	/nfs/dbraw/zinc/74/65/91/1075746591.db2.gz	BYQIEGAHXLOBON-GOSISDBHSA-N	1	1	407.559	1.164	20	0		HDADMO
Nc1nc(-n2cccn2)cc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000553336046	1075749245	/nfs/dbraw/zinc/74/92/45/1075749245.db2.gz	FQYIWVPCAAJFCJ-IBGZPJMESA-N	1	1	404.522	1.641	20	0		HDADMO
C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1N1CCC(O)CC1	ZINC000732464516	1075752993	/nfs/dbraw/zinc/75/29/93/1075752993.db2.gz	WOHZKQVWGMSMID-DOTOQJQBSA-N	1	1	407.534	1.393	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000525485370	1075754291	/nfs/dbraw/zinc/75/42/91/1075754291.db2.gz	DSUDBUXPEATSNM-KXBFYZLASA-N	1	1	423.521	1.272	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000525485370	1075754295	/nfs/dbraw/zinc/75/42/95/1075754295.db2.gz	DSUDBUXPEATSNM-KXBFYZLASA-N	1	1	423.521	1.272	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(-c2cnn(C)c2)nn1	ZINC000434076276	1075754721	/nfs/dbraw/zinc/75/47/21/1075754721.db2.gz	WVNAKDJEFXOCFX-QGZVFWFLSA-N	1	1	420.521	2.209	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H](Cc1ccccc1)CN1CCOCC1	ZINC000732467840	1075755250	/nfs/dbraw/zinc/75/52/50/1075755250.db2.gz	YUURVYZRHDDLRP-PWRODBHTSA-N	1	1	402.539	1.092	20	0		HDADMO
NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1Cl	ZINC000556964497	1075757668	/nfs/dbraw/zinc/75/76/68/1075757668.db2.gz	GWWOQIVTDVLIOB-GFCCVEGCSA-N	1	1	402.886	2.019	20	0		HDADMO
C[C@H](NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1)C1=CC[N@@H+](C)CC1	ZINC000551223031	1075762691	/nfs/dbraw/zinc/76/26/91/1075762691.db2.gz	WYYJCIDOBKRVBG-ZDUSSCGKSA-N	1	1	413.444	1.785	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1	ZINC000732484409	1075762635	/nfs/dbraw/zinc/76/26/35/1075762635.db2.gz	CIJBNXGUDUBXIV-HXUWFJFHSA-N	1	1	424.501	1.344	20	0		HDADMO
Cc1ccc(COc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)cc1	ZINC000732486246	1075762848	/nfs/dbraw/zinc/76/28/48/1075762848.db2.gz	ZWTKYOYRHVCABH-HXUWFJFHSA-N	1	1	410.518	1.875	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000486755034	1075763260	/nfs/dbraw/zinc/76/32/60/1075763260.db2.gz	WICBQLXIRATPNX-UHFFFAOYSA-N	1	1	423.521	1.405	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1=O	ZINC000732526561	1075780743	/nfs/dbraw/zinc/78/07/43/1075780743.db2.gz	FVMSEQNWOLPHCV-YESZJQIVSA-N	1	1	410.559	1.691	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1	ZINC000509271192	1075783740	/nfs/dbraw/zinc/78/37/40/1075783740.db2.gz	CSIFEXKBQTWNSV-BZUAXINKSA-N	1	1	414.597	1.740	20	0		HDADMO
C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)n2)CC1	ZINC000491281245	1075784793	/nfs/dbraw/zinc/78/47/93/1075784793.db2.gz	DUOJCYYCCCOFTQ-VQTJNVASSA-N	1	1	412.538	1.907	20	0		HDADMO
CN(C(=O)CN1c2ccccc2OCCC1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000732558957	1075785649	/nfs/dbraw/zinc/78/56/49/1075785649.db2.gz	FLZBWPKEMHPYJV-GOSISDBHSA-N	1	1	400.523	1.429	20	0		HDADMO
CN(C(=O)CN1c2ccccc2OCCC1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000732558957	1075785653	/nfs/dbraw/zinc/78/56/53/1075785653.db2.gz	FLZBWPKEMHPYJV-GOSISDBHSA-N	1	1	400.523	1.429	20	0		HDADMO
O=C(NCCn1cc(Br)ccc1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC001129299469	1075790393	/nfs/dbraw/zinc/79/03/93/1075790393.db2.gz	KWGQWYOHMBWVPJ-KRWDZBQOSA-N	1	1	420.307	1.628	20	0		HDADMO
O=C(NCCn1cc(Br)ccc1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC001129299469	1075790397	/nfs/dbraw/zinc/79/03/97/1075790397.db2.gz	KWGQWYOHMBWVPJ-KRWDZBQOSA-N	1	1	420.307	1.628	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC000429102924	1075790754	/nfs/dbraw/zinc/79/07/54/1075790754.db2.gz	MFPRWYZNDCJQSX-GDBMZVCRSA-N	1	1	422.489	2.334	20	0		HDADMO
CN1CC[NH+](Cc2ccc(C(=O)Nc3nnc(C4CCOCC4)s3)cc2)CC1	ZINC000569729510	1075792102	/nfs/dbraw/zinc/79/21/02/1075792102.db2.gz	JFKASROGAJJJOM-UHFFFAOYSA-N	1	1	401.536	2.432	20	0		HDADMO
CCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000804237859	1075793861	/nfs/dbraw/zinc/79/38/61/1075793861.db2.gz	XMPKMEOACQNIOQ-SQNIBIBYSA-N	1	1	408.543	1.446	20	0		HDADMO
C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)C2)C1	ZINC000560150942	1075798112	/nfs/dbraw/zinc/79/81/12/1075798112.db2.gz	DGCQQKMKZMMVRV-IBGZPJMESA-N	1	1	421.423	2.384	20	0		HDADMO
O=C([C@@H]1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1)N1CCOCC1	ZINC000509275792	1075801280	/nfs/dbraw/zinc/80/12/80/1075801280.db2.gz	GZAXABGLZOFRMP-OAQYLSRUSA-N	1	1	400.567	1.770	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CC1	ZINC000574670934	1075802735	/nfs/dbraw/zinc/80/27/35/1075802735.db2.gz	AJNDYZMPTKIMKI-UHFFFAOYSA-N	1	1	406.437	1.791	20	0		HDADMO
O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H]2CCC2CCCC2)CC1)N1CCOCC1	ZINC000487984380	1075805786	/nfs/dbraw/zinc/80/57/86/1075805786.db2.gz	BJZHXPLYHSJSTN-NRFANRHFSA-N	1	1	420.598	1.424	20	0		HDADMO
CCOC(=O)CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000611037169	1075818359	/nfs/dbraw/zinc/81/83/59/1075818359.db2.gz	DOVVWXNOOLPAOT-HUUCEWRRSA-N	1	1	411.524	1.716	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1	ZINC000611037990	1075818640	/nfs/dbraw/zinc/81/86/40/1075818640.db2.gz	GDCXRONACOTZQO-AWEZNQCLSA-N	1	1	401.463	1.906	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1	ZINC000611037990	1075818643	/nfs/dbraw/zinc/81/86/43/1075818643.db2.gz	GDCXRONACOTZQO-AWEZNQCLSA-N	1	1	401.463	1.906	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1	ZINC000732658869	1075819053	/nfs/dbraw/zinc/81/90/53/1075819053.db2.gz	CYFGFPMCVRMKIY-ZWKOTPCHSA-N	1	1	406.433	1.399	20	0		HDADMO
CCOC(=O)CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000611045662	1075820157	/nfs/dbraw/zinc/82/01/57/1075820157.db2.gz	HPPGCSQJGMOUMZ-RTBURBONSA-N	1	1	423.554	1.282	20	0		HDADMO
COCc1c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cnn1-c1ccccc1	ZINC000466653943	1075827233	/nfs/dbraw/zinc/82/72/33/1075827233.db2.gz	KFQZPUWZIWPZPQ-IBGZPJMESA-N	1	1	411.506	1.397	20	0		HDADMO
CC[N@H+]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)C[C@@H]1C	ZINC000611088279	1075827502	/nfs/dbraw/zinc/82/75/02/1075827502.db2.gz	NPYDGSOOAYXQJG-GOEBONIOSA-N	1	1	417.572	1.778	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)C[C@@H]1C	ZINC000611100426	1075833717	/nfs/dbraw/zinc/83/37/17/1075833717.db2.gz	CZFJNRUAPILHFU-HNNXBMFYSA-N	1	1	413.478	1.458	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)C[C@@H]1C	ZINC000611100426	1075833720	/nfs/dbraw/zinc/83/37/20/1075833720.db2.gz	CZFJNRUAPILHFU-HNNXBMFYSA-N	1	1	413.478	1.458	20	0		HDADMO
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000509284470	1075835624	/nfs/dbraw/zinc/83/56/24/1075835624.db2.gz	HHFQOKJMYIVLCP-FGTMMUONSA-N	1	1	409.571	1.798	20	0		HDADMO
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000509284470	1075835627	/nfs/dbraw/zinc/83/56/27/1075835627.db2.gz	HHFQOKJMYIVLCP-FGTMMUONSA-N	1	1	409.571	1.798	20	0		HDADMO
CC(C)Cc1ncnc(NCCC[NH+]2CCN(C)CC2)c1I	ZINC000572550142	1075837044	/nfs/dbraw/zinc/83/70/44/1075837044.db2.gz	XDRQGSQYLXPPID-UHFFFAOYSA-N	1	1	417.339	2.329	20	0		HDADMO
COC1(c2ccccc2)CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1	ZINC000509286380	1075839805	/nfs/dbraw/zinc/83/98/05/1075839805.db2.gz	LVVTUKYNFDUBJK-UHFFFAOYSA-N	1	1	423.513	1.884	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](CCCNc2ncnc3cc(F)c(Br)cc32)C1	ZINC000546575616	1075842082	/nfs/dbraw/zinc/84/20/82/1075842082.db2.gz	XODUEFQTDRCMDU-NSHDSACASA-N	1	1	410.291	2.531	20	0		HDADMO
CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000565569477	1075843914	/nfs/dbraw/zinc/84/39/14/1075843914.db2.gz	HXJYYMLYDOPXOX-LBPRGKRZSA-N	1	1	412.416	2.070	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O	ZINC000732772280	1075852043	/nfs/dbraw/zinc/85/20/43/1075852043.db2.gz	VEPQEYURPZJIJC-INIZCTEOSA-N	1	1	423.535	1.472	20	0		HDADMO
C[NH+]1CCN(c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccn2)CC1	ZINC000732753769	1075856842	/nfs/dbraw/zinc/85/68/42/1075856842.db2.gz	WQMZLBWZCJMLKS-SFHVURJKSA-N	1	1	423.517	1.995	20	0		HDADMO
COCC1CCN(CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1	ZINC000732797090	1075860489	/nfs/dbraw/zinc/86/04/89/1075860489.db2.gz	DPZKSVYMWUFCIW-JOCHJYFZSA-N	1	1	400.523	1.889	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)nn1	ZINC000560222689	1075860859	/nfs/dbraw/zinc/86/08/59/1075860859.db2.gz	DSNSRRNBYPKLAC-HNNXBMFYSA-N	1	1	413.478	2.234	20	0		HDADMO
COCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732807538	1075863098	/nfs/dbraw/zinc/86/30/98/1075863098.db2.gz	QCNAGZOGHQWYAO-LJQANCHMSA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000732807538	1075863103	/nfs/dbraw/zinc/86/31/03/1075863103.db2.gz	QCNAGZOGHQWYAO-LJQANCHMSA-N	1	1	403.523	1.805	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C	ZINC000732781808	1075866584	/nfs/dbraw/zinc/86/65/84/1075866584.db2.gz	UEHAJGYUBDPSTH-MRXNPFEDSA-N	1	1	406.527	1.333	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C	ZINC000732781808	1075866588	/nfs/dbraw/zinc/86/65/88/1075866588.db2.gz	UEHAJGYUBDPSTH-MRXNPFEDSA-N	1	1	406.527	1.333	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1	ZINC000732781731	1075866840	/nfs/dbraw/zinc/86/68/40/1075866840.db2.gz	SLRPEMKNGYMAAD-WOJBJXKFSA-N	1	1	410.562	1.813	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1	ZINC000732781731	1075866843	/nfs/dbraw/zinc/86/68/43/1075866843.db2.gz	SLRPEMKNGYMAAD-WOJBJXKFSA-N	1	1	410.562	1.813	20	0		HDADMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1	ZINC000611181257	1075867964	/nfs/dbraw/zinc/86/79/64/1075867964.db2.gz	XJQCWHDWEKHLST-WOJBJXKFSA-N	1	1	422.614	1.667	20	0		HDADMO
CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000611181220	1075868144	/nfs/dbraw/zinc/86/81/44/1075868144.db2.gz	VJTPZFXJQXTQOE-UHFFFAOYSA-N	1	1	420.558	1.026	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732809108	1075870631	/nfs/dbraw/zinc/87/06/31/1075870631.db2.gz	REQSCCMEOFKFOK-OALUTQOASA-N	1	1	414.550	1.906	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000732809108	1075870636	/nfs/dbraw/zinc/87/06/36/1075870636.db2.gz	REQSCCMEOFKFOK-OALUTQOASA-N	1	1	414.550	1.906	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000732809818	1075872044	/nfs/dbraw/zinc/87/20/44/1075872044.db2.gz	YRGYBILQKNOWOF-MRXNPFEDSA-N	1	1	403.479	1.387	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000732809818	1075872049	/nfs/dbraw/zinc/87/20/49/1075872049.db2.gz	YRGYBILQKNOWOF-MRXNPFEDSA-N	1	1	403.479	1.387	20	0		HDADMO
CCOC(=O)c1ccc(NC(=O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000611244175	1075885119	/nfs/dbraw/zinc/88/51/19/1075885119.db2.gz	GOKGQGUCXROKQH-GOSISDBHSA-N	1	1	402.495	1.216	20	0		HDADMO
CCOC(=O)c1ccccc1NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000611244385	1075885982	/nfs/dbraw/zinc/88/59/82/1075885982.db2.gz	ZZAATQDWWZVNFD-SFHVURJKSA-N	1	1	402.495	1.216	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265836	1075889199	/nfs/dbraw/zinc/88/91/99/1075889199.db2.gz	JWKQFSVHOQPVRM-SVMVAKDDSA-N	1	1	403.523	1.420	20	0		HDADMO
COC(=O)[C@]1(NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265836	1075889204	/nfs/dbraw/zinc/88/92/04/1075889204.db2.gz	JWKQFSVHOQPVRM-SVMVAKDDSA-N	1	1	403.523	1.420	20	0		HDADMO
CN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732883243	1075890967	/nfs/dbraw/zinc/89/09/67/1075890967.db2.gz	PBSJYXWXFYELDJ-OAHLLOKOSA-N	1	1	420.476	1.826	20	0		HDADMO
COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000611285094	1075892306	/nfs/dbraw/zinc/89/23/06/1075892306.db2.gz	ZRJGORYSCVMLOR-MSOLQXFVSA-N	1	1	408.930	1.976	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1	ZINC000611320476	1075900182	/nfs/dbraw/zinc/90/01/82/1075900182.db2.gz	KMXOLGQIJKBOFP-OAHLLOKOSA-N	1	1	423.535	1.134	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1	ZINC000611320476	1075900184	/nfs/dbraw/zinc/90/01/84/1075900184.db2.gz	KMXOLGQIJKBOFP-OAHLLOKOSA-N	1	1	423.535	1.134	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CC1	ZINC000611325480	1075901475	/nfs/dbraw/zinc/90/14/75/1075901475.db2.gz	VGRQYAYEJOSEER-INIZCTEOSA-N	1	1	410.559	1.598	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000611334120	1075910145	/nfs/dbraw/zinc/91/01/45/1075910145.db2.gz	WGDIVDHWNBERAO-ZWKOTPCHSA-N	1	1	423.554	1.138	20	0		HDADMO
Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000732917088	1075913635	/nfs/dbraw/zinc/91/36/35/1075913635.db2.gz	XMGUZUNDBCMLRF-GOSISDBHSA-N	1	1	413.526	1.384	20	0		HDADMO
C[S@](=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1F	ZINC000611359266	1075917288	/nfs/dbraw/zinc/91/72/88/1075917288.db2.gz	VXAURFNTJJUTPV-HBIPHATFSA-N	1	1	411.499	1.215	20	0		HDADMO
CC[C@@H](CSC)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000611384333	1075922770	/nfs/dbraw/zinc/92/27/70/1075922770.db2.gz	RFPCMRBQJNXVAC-INIZCTEOSA-N	1	1	406.552	1.661	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C[C@H]1C	ZINC000611381924	1075922789	/nfs/dbraw/zinc/92/27/89/1075922789.db2.gz	IFKVXAAQOYWXJJ-LLVKDONJSA-N	1	1	412.284	1.727	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C[C@H]1C	ZINC000611381924	1075922792	/nfs/dbraw/zinc/92/27/92/1075922792.db2.gz	IFKVXAAQOYWXJJ-LLVKDONJSA-N	1	1	412.284	1.727	20	0		HDADMO
CC[C@H](CSC)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000611384334	1075923061	/nfs/dbraw/zinc/92/30/61/1075923061.db2.gz	RFPCMRBQJNXVAC-MRXNPFEDSA-N	1	1	406.552	1.661	20	0		HDADMO
Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)c(=O)n2C	ZINC000732984643	1075937760	/nfs/dbraw/zinc/93/77/60/1075937760.db2.gz	ALFQITJUIQLSJP-INIZCTEOSA-N	1	1	403.433	1.939	20	0		HDADMO
C[N@@H+](CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)Cc1ccccc1	ZINC000732996625	1075943324	/nfs/dbraw/zinc/94/33/24/1075943324.db2.gz	NUCHVSNXEWJFKA-UHFFFAOYSA-N	1	1	418.510	1.682	20	0		HDADMO
C[C@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@H+]1CCC[C@@H](C)C1	ZINC000732998549	1075943922	/nfs/dbraw/zinc/94/39/22/1075943922.db2.gz	MHDWRWINWAFFJQ-ZIAGYGMSSA-N	1	1	410.531	1.670	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)C[C@H]1C	ZINC000611484589	1075946672	/nfs/dbraw/zinc/94/66/72/1075946672.db2.gz	GWHJDBRXHWHXGZ-YLJYHZDGSA-N	1	1	403.523	1.845	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)C[C@H]1C	ZINC000611484589	1075946674	/nfs/dbraw/zinc/94/66/74/1075946674.db2.gz	GWHJDBRXHWHXGZ-YLJYHZDGSA-N	1	1	403.523	1.845	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733046334	1075952737	/nfs/dbraw/zinc/95/27/37/1075952737.db2.gz	OZIPSQGBNRDBHN-JKSUJKDBSA-N	1	1	414.506	1.966	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)ccc1N1C(=O)CCC1=O	ZINC000733047884	1075953442	/nfs/dbraw/zinc/95/34/42/1075953442.db2.gz	MHPQUPJIQLYUAM-UHFFFAOYSA-N	1	1	414.506	1.920	20	0		HDADMO
CSCC[C@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)N1C(=O)c2ccccc2C1=O	ZINC000611515691	1075953546	/nfs/dbraw/zinc/95/35/46/1075953546.db2.gz	KMLHJTDIQHDIPH-QGZVFWFLSA-N	1	1	419.547	1.319	20	0		HDADMO
Cc1ccnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)n1	ZINC001079252183	1075967318	/nfs/dbraw/zinc/96/73/18/1075967318.db2.gz	BSCPHZRPUBBYKW-OSFNYYGPSA-N	1	1	424.545	1.648	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CNC(=S)NCCN1CCN(C(=O)C2CCCCC2)CC1	ZINC000733087717	1075971205	/nfs/dbraw/zinc/97/12/05/1075971205.db2.gz	XDVHAXWAJCQGCF-LJQANCHMSA-N	1	1	409.644	1.659	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(OC)cc2C(=O)NC)CC1=O	ZINC000733143124	1075975251	/nfs/dbraw/zinc/97/52/51/1075975251.db2.gz	BCSICRIBJLTHKE-HUUCEWRRSA-N	1	1	402.495	1.326	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCC[C@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2C)no1	ZINC000506851382	1075977356	/nfs/dbraw/zinc/97/73/56/1075977356.db2.gz	NPPYPYRRLARVMG-DAYGRLMNSA-N	1	1	402.499	1.645	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)N3CCC[C@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2C)no1	ZINC000506851382	1075977360	/nfs/dbraw/zinc/97/73/60/1075977360.db2.gz	NPPYPYRRLARVMG-DAYGRLMNSA-N	1	1	402.499	1.645	20	0		HDADMO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O	ZINC000733126390	1075978879	/nfs/dbraw/zinc/97/88/79/1075978879.db2.gz	YAYKDSSOYNZHAQ-NQIIRXRSSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O	ZINC000733126390	1075978882	/nfs/dbraw/zinc/97/88/82/1075978882.db2.gz	YAYKDSSOYNZHAQ-NQIIRXRSSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)CC1=O	ZINC000733129607	1075979531	/nfs/dbraw/zinc/97/95/31/1075979531.db2.gz	GXJGBNHIYKENFO-ZFWWWQNUSA-N	1	1	413.478	1.621	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1	ZINC000733130541	1075979873	/nfs/dbraw/zinc/97/98/73/1075979873.db2.gz	OXRSQZFMPSWECS-RELWKKBWSA-N	1	1	421.545	1.996	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1=O	ZINC000733129381	1075979944	/nfs/dbraw/zinc/97/99/44/1075979944.db2.gz	XEONHJQTKVRCTK-JKSUJKDBSA-N	1	1	411.506	1.627	20	0		HDADMO
C[C@@H]1C[N@H+](CCn2cnc3ccccc3c2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080159843	1075983621	/nfs/dbraw/zinc/98/36/21/1075983621.db2.gz	YICLXMAFOYLDGB-XPBFNSCUSA-N	1	1	408.502	1.256	20	0		HDADMO
C[C@@H]1C[N@@H+](CCn2cnc3ccccc3c2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080159843	1075983625	/nfs/dbraw/zinc/98/36/25/1075983625.db2.gz	YICLXMAFOYLDGB-XPBFNSCUSA-N	1	1	408.502	1.256	20	0		HDADMO
COc1ccccc1OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1	ZINC001080182133	1075985632	/nfs/dbraw/zinc/98/56/32/1075985632.db2.gz	UUXUWXHZRXNYKY-BWZHCXAASA-N	1	1	404.507	1.562	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1	ZINC000733155543	1075988756	/nfs/dbraw/zinc/98/87/56/1075988756.db2.gz	TUKFYXBJANSKJU-RELWKKBWSA-N	1	1	421.545	1.948	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000733156669	1075989486	/nfs/dbraw/zinc/98/94/86/1075989486.db2.gz	HXMRIWOAYDQRRB-KRWDZBQOSA-N	1	1	410.559	1.789	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000733156669	1075989487	/nfs/dbraw/zinc/98/94/87/1075989487.db2.gz	HXMRIWOAYDQRRB-KRWDZBQOSA-N	1	1	410.559	1.789	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)c1	ZINC000733157244	1075990307	/nfs/dbraw/zinc/99/03/07/1075990307.db2.gz	WOKPOPLIVCJJSQ-DUMMIQTOSA-N	1	1	413.547	1.621	20	0		HDADMO
Cc1cn(C)c(CC(=O)N2CC[NH+](C(C)C)CC2)c1C(=O)N1CCN(C(C)C)CC1	ZINC000494207576	1075999107	/nfs/dbraw/zinc/99/91/07/1075999107.db2.gz	FHKKKJTVWAMKDF-UHFFFAOYSA-N	1	1	417.598	1.595	20	0		HDADMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=S)N=NC2c2cccs2)CC1	ZINC000733171074	1076001303	/nfs/dbraw/zinc/00/13/03/1076001303.db2.gz	VHLMUAMFNUETGT-CQSZACIVSA-N	1	1	408.597	1.685	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000733196727	1076002906	/nfs/dbraw/zinc/00/29/06/1076002906.db2.gz	HOHLFMIKHCFANF-INIZCTEOSA-N	1	1	412.531	1.618	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000733196727	1076002910	/nfs/dbraw/zinc/00/29/10/1076002910.db2.gz	HOHLFMIKHCFANF-INIZCTEOSA-N	1	1	412.531	1.618	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000733196730	1076002961	/nfs/dbraw/zinc/00/29/61/1076002961.db2.gz	HOHLFMIKHCFANF-MRXNPFEDSA-N	1	1	412.531	1.618	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000733196730	1076002963	/nfs/dbraw/zinc/00/29/63/1076002963.db2.gz	HOHLFMIKHCFANF-MRXNPFEDSA-N	1	1	412.531	1.618	20	0		HDADMO
COC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1	ZINC000733197170	1076003184	/nfs/dbraw/zinc/00/31/84/1076003184.db2.gz	PSJRHCJWIPXVSO-HNNXBMFYSA-N	1	1	408.524	1.454	20	0		HDADMO
COC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1	ZINC000733197170	1076003190	/nfs/dbraw/zinc/00/31/90/1076003190.db2.gz	PSJRHCJWIPXVSO-HNNXBMFYSA-N	1	1	408.524	1.454	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)no1	ZINC000513995588	1076014339	/nfs/dbraw/zinc/01/43/39/1076014339.db2.gz	YNORKLFFTFVWME-WBVHZDCISA-N	1	1	406.531	1.496	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)no1	ZINC000513995728	1076014607	/nfs/dbraw/zinc/01/46/07/1076014607.db2.gz	ACUWALPLUFDZDB-IKGGRYGDSA-N	1	1	404.515	1.391	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)C2)no1	ZINC000514029216	1076016915	/nfs/dbraw/zinc/01/69/15/1076016915.db2.gz	OHMJSOPYLIQGKS-QZTJIDSGSA-N	1	1	420.558	1.885	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3CC)C2)no1	ZINC000514033796	1076017303	/nfs/dbraw/zinc/01/73/03/1076017303.db2.gz	YXOQONBEWZAMRF-DLBZAZTESA-N	1	1	406.531	1.639	20	0		HDADMO
COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)cc1	ZINC001081959338	1076019260	/nfs/dbraw/zinc/01/92/60/1076019260.db2.gz	DNZWMEOCARTESQ-WQNFENHCSA-N	1	1	402.491	1.313	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001081960817	1076020406	/nfs/dbraw/zinc/02/04/06/1076020406.db2.gz	SYANHWYLROTRCT-FAZHRNDASA-N	1	1	422.529	1.789	20	0		HDADMO
CON(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C3CCC3)CC2)ccc1Cl	ZINC000733274941	1076027015	/nfs/dbraw/zinc/02/70/15/1076027015.db2.gz	CAFOLMKPQSTQHO-UHFFFAOYSA-N	1	1	401.916	1.832	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1	ZINC000727132643	1076050372	/nfs/dbraw/zinc/05/03/72/1076050372.db2.gz	ADORSUOHEWFNHZ-OAHLLOKOSA-N	1	1	414.572	1.403	20	0		HDADMO
Cn1cnc2c1c(=O)n(CCC[N@H+](Cc1cccs1)C[C@H]1CCCO1)c(=O)n2C	ZINC000053135163	1076054745	/nfs/dbraw/zinc/05/47/45/1076054745.db2.gz	YIKNIPBGOODVFZ-OAHLLOKOSA-N	1	1	417.535	1.567	20	0		HDADMO
C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1F)[NH+]1CCN(c2ccccc2)CC1	ZINC000733369626	1076057026	/nfs/dbraw/zinc/05/70/26/1076057026.db2.gz	RSDBIFGGPQWJEA-OAHLLOKOSA-N	1	1	420.510	1.414	20	0		HDADMO
CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)cs1	ZINC001082652453	1076061881	/nfs/dbraw/zinc/06/18/81/1076061881.db2.gz	ZDMOKHUAOCXJOG-DRVNGOMUSA-N	1	1	418.563	1.876	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccc(Br)cn1	ZINC000054887451	1076064758	/nfs/dbraw/zinc/06/47/58/1076064758.db2.gz	VPEFYDPUOCSGRA-CYBMUJFWSA-N	1	1	411.300	1.353	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccc(Br)cn1	ZINC000054887451	1076064760	/nfs/dbraw/zinc/06/47/60/1076064760.db2.gz	VPEFYDPUOCSGRA-CYBMUJFWSA-N	1	1	411.300	1.353	20	0		HDADMO
C[NH+](C)[C@H](CNC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)c1ccco1	ZINC000054920336	1076065012	/nfs/dbraw/zinc/06/50/12/1076065012.db2.gz	LCOJTSNTWGULPD-LJQANCHMSA-N	1	1	413.522	1.526	20	0		HDADMO
S=C(NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1ccc2c(c1)OCCCO2	ZINC000727277813	1076089294	/nfs/dbraw/zinc/08/92/94/1076089294.db2.gz	NVOIQGSDHPMVAU-KRWDZBQOSA-N	1	1	420.579	1.788	20	0		HDADMO
CCNC(=O)NC(=O)COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000733530943	1076095645	/nfs/dbraw/zinc/09/56/45/1076095645.db2.gz	LYRTVFOOHJUEPL-QGZVFWFLSA-N	1	1	401.385	1.830	20	0		HDADMO
C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(S(N)(=O)=O)c1	ZINC000727317431	1076096057	/nfs/dbraw/zinc/09/60/57/1076096057.db2.gz	PAXGNQLWPMBSOO-LBPRGKRZSA-N	1	1	411.505	1.027	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2Br)CC1	ZINC000727450731	1076131258	/nfs/dbraw/zinc/13/12/58/1076131258.db2.gz	JKWAGLRVRBNODN-NTUHNPAUSA-N	1	1	416.341	1.503	20	0		HDADMO
COC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1	ZINC000733666237	1076146284	/nfs/dbraw/zinc/14/62/84/1076146284.db2.gz	IPMYZRSJPWAXPL-HNNXBMFYSA-N	1	1	408.930	1.915	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H](OC)C(F)(F)F)CC2)CC1	ZINC000733659418	1076164613	/nfs/dbraw/zinc/16/46/13/1076164613.db2.gz	FYHBARLVAOXZAI-HNNXBMFYSA-N	1	1	408.465	1.540	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1F	ZINC000727609245	1076179148	/nfs/dbraw/zinc/17/91/48/1076179148.db2.gz	XEDKOPXTUQXMPB-AWEZNQCLSA-N	1	1	410.446	1.416	20	0		HDADMO
COC(=O)Nc1cc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F	ZINC000727610794	1076181021	/nfs/dbraw/zinc/18/10/21/1076181021.db2.gz	LKBZUCFEBRZYBW-BETUJISGSA-N	1	1	410.446	1.558	20	0		HDADMO
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)C2=O)c1	ZINC000733794664	1076215092	/nfs/dbraw/zinc/21/50/92/1076215092.db2.gz	FTDDWBUFNVBIOW-OAQYLSRUSA-N	1	1	420.510	1.224	20	0		HDADMO
C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[N@@H+](C)C1CC1	ZINC000727742477	1076216363	/nfs/dbraw/zinc/21/63/63/1076216363.db2.gz	RULMWUJZABMAAM-XJKSGUPXSA-N	1	1	421.519	1.223	20	0		HDADMO
C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)C[C@H](C)O1	ZINC000727765819	1076219806	/nfs/dbraw/zinc/21/98/06/1076219806.db2.gz	IWIZUAVJJWCCNR-BWPNAZKDSA-N	1	1	419.522	1.374	20	0		HDADMO
C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[N@H+]1CCC[C@H](C)C1	ZINC000727766844	1076221041	/nfs/dbraw/zinc/22/10/41/1076221041.db2.gz	MBYGSGLDPJYDLU-CUDHKJQZSA-N	1	1	403.523	1.995	20	0		HDADMO
C[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[N@H+]1CCC[C@@H](C)C1	ZINC000727766843	1076221063	/nfs/dbraw/zinc/22/10/63/1076221063.db2.gz	MBYGSGLDPJYDLU-BWPNAZKDSA-N	1	1	403.523	1.995	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)c1	ZINC000727755722	1076229553	/nfs/dbraw/zinc/22/95/53/1076229553.db2.gz	FGHZZNJKMCWVKU-OAHLLOKOSA-N	1	1	411.491	1.559	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)c1	ZINC000727755722	1076229557	/nfs/dbraw/zinc/22/95/57/1076229557.db2.gz	FGHZZNJKMCWVKU-OAHLLOKOSA-N	1	1	411.491	1.559	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)no1	ZINC000532805063	1076239298	/nfs/dbraw/zinc/23/92/98/1076239298.db2.gz	ZHHBWLYDKRUJOE-MSOLQXFVSA-N	1	1	403.527	1.988	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NCCCN2CCC[N@H+](C)CC2)c1	ZINC000733885516	1076239851	/nfs/dbraw/zinc/23/98/51/1076239851.db2.gz	HKDKMVYXLSEEEN-UHFFFAOYSA-N	1	1	402.568	1.686	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NCCC[N@H+]2CCCN(C)CC2)c1	ZINC000733885516	1076239857	/nfs/dbraw/zinc/23/98/57/1076239857.db2.gz	HKDKMVYXLSEEEN-UHFFFAOYSA-N	1	1	402.568	1.686	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CC(=O)NCCC[N@@H+]2CCCN(C)CC2)c1	ZINC000733885516	1076239861	/nfs/dbraw/zinc/23/98/61/1076239861.db2.gz	HKDKMVYXLSEEEN-UHFFFAOYSA-N	1	1	402.568	1.686	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1	ZINC000733885496	1076239897	/nfs/dbraw/zinc/23/98/97/1076239897.db2.gz	GSWOENTWSYNPFS-UHFFFAOYSA-N	1	1	412.531	1.024	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1	ZINC000733885496	1076239900	/nfs/dbraw/zinc/23/99/00/1076239900.db2.gz	GSWOENTWSYNPFS-UHFFFAOYSA-N	1	1	412.531	1.024	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1	ZINC000733885496	1076239903	/nfs/dbraw/zinc/23/99/03/1076239903.db2.gz	GSWOENTWSYNPFS-UHFFFAOYSA-N	1	1	412.531	1.024	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C1	ZINC000533831056	1076245481	/nfs/dbraw/zinc/24/54/81/1076245481.db2.gz	KBPCGWHWXNXVRS-UNMCSNQZSA-N	1	1	418.497	1.765	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C1	ZINC000533831056	1076245485	/nfs/dbraw/zinc/24/54/85/1076245485.db2.gz	KBPCGWHWXNXVRS-UNMCSNQZSA-N	1	1	418.497	1.765	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)C1	ZINC000533831041	1076245497	/nfs/dbraw/zinc/24/54/97/1076245497.db2.gz	KBPCGWHWXNXVRS-IFMALSPDSA-N	1	1	418.497	1.765	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)C1	ZINC000533831041	1076245500	/nfs/dbraw/zinc/24/55/00/1076245500.db2.gz	KBPCGWHWXNXVRS-IFMALSPDSA-N	1	1	418.497	1.765	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1	ZINC000533849268	1076245966	/nfs/dbraw/zinc/24/59/66/1076245966.db2.gz	NETRIULNRIGFRN-QFIPXVFZSA-N	1	1	421.545	1.817	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1	ZINC000533849268	1076245976	/nfs/dbraw/zinc/24/59/76/1076245976.db2.gz	NETRIULNRIGFRN-QFIPXVFZSA-N	1	1	421.545	1.817	20	0		HDADMO
CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1	ZINC001299316712	1076246236	/nfs/dbraw/zinc/24/62/36/1076246236.db2.gz	ZLNYVPPBRARUTF-UHFFFAOYSA-N	1	1	400.593	1.336	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000534545937	1076248453	/nfs/dbraw/zinc/24/84/53/1076248453.db2.gz	GQFDYIYGAJIMFW-IBGZPJMESA-N	1	1	408.506	1.208	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000534545937	1076248456	/nfs/dbraw/zinc/24/84/56/1076248456.db2.gz	GQFDYIYGAJIMFW-IBGZPJMESA-N	1	1	408.506	1.208	20	0		HDADMO
CN1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1	ZINC000534559006	1076248881	/nfs/dbraw/zinc/24/88/81/1076248881.db2.gz	BTDVQJDSAOSTCI-OAQYLSRUSA-N	1	1	413.566	1.759	20	0		HDADMO
CN1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1	ZINC000534559006	1076248885	/nfs/dbraw/zinc/24/88/85/1076248885.db2.gz	BTDVQJDSAOSTCI-OAQYLSRUSA-N	1	1	413.566	1.759	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1	ZINC000535292270	1076252320	/nfs/dbraw/zinc/25/23/20/1076252320.db2.gz	FEXBORBSXKXCQF-GOSISDBHSA-N	1	1	406.494	1.382	20	0		HDADMO
Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1	ZINC000535292270	1076252323	/nfs/dbraw/zinc/25/23/23/1076252323.db2.gz	FEXBORBSXKXCQF-GOSISDBHSA-N	1	1	406.494	1.382	20	0		HDADMO
COc1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1S(=O)(=O)N(C)C	ZINC000536031942	1076254139	/nfs/dbraw/zinc/25/41/39/1076254139.db2.gz	GPXZQNFJQMEEBW-QGZVFWFLSA-N	1	1	403.504	1.862	20	0		HDADMO
COc1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1S(=O)(=O)N(C)C	ZINC000536031942	1076254145	/nfs/dbraw/zinc/25/41/45/1076254145.db2.gz	GPXZQNFJQMEEBW-QGZVFWFLSA-N	1	1	403.504	1.862	20	0		HDADMO
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1	ZINC000536209408	1076256246	/nfs/dbraw/zinc/25/62/46/1076256246.db2.gz	WJQVFTPFNDQFNR-INIZCTEOSA-N	1	1	411.568	1.682	20	0		HDADMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@H](C)O1	ZINC000536859631	1076256832	/nfs/dbraw/zinc/25/68/32/1076256832.db2.gz	UDNPAIKZPFOSQZ-TXEJJXNPSA-N	1	1	403.932	1.605	20	0		HDADMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@H](C)O1	ZINC000536859631	1076256835	/nfs/dbraw/zinc/25/68/35/1076256835.db2.gz	UDNPAIKZPFOSQZ-TXEJJXNPSA-N	1	1	403.932	1.605	20	0		HDADMO
C[NH+](C)C1(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCOCC1	ZINC000733898570	1076259208	/nfs/dbraw/zinc/25/92/08/1076259208.db2.gz	LILOGTLUTPJOGZ-UHFFFAOYSA-N	1	1	410.945	1.133	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1	ZINC000727806933	1076259607	/nfs/dbraw/zinc/25/96/07/1076259607.db2.gz	LWYYVUUHXHIARJ-SFHVURJKSA-N	1	1	404.511	1.490	20	0		HDADMO
COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1	ZINC000727836272	1076265565	/nfs/dbraw/zinc/26/55/65/1076265565.db2.gz	LREPOGUDAOAVHA-SNVBAGLBSA-N	1	1	405.314	1.997	20	0		HDADMO
CCCOC(=O)c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000727836965	1076266151	/nfs/dbraw/zinc/26/61/51/1076266151.db2.gz	INROFJNHFVPULL-UHFFFAOYSA-N	1	1	410.536	1.986	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)C1	ZINC000727820189	1076267539	/nfs/dbraw/zinc/26/75/39/1076267539.db2.gz	VSLUTIMXPXXFGU-ZUHIPDPLSA-N	1	1	422.570	1.944	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)C1	ZINC000727820189	1076267542	/nfs/dbraw/zinc/26/75/42/1076267542.db2.gz	VSLUTIMXPXXFGU-ZUHIPDPLSA-N	1	1	422.570	1.944	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1	ZINC000727853022	1076272429	/nfs/dbraw/zinc/27/24/29/1076272429.db2.gz	FCJMUOQRTSWTFW-KGLIPLIRSA-N	1	1	420.432	1.090	20	0		HDADMO
COCCN(CC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000733951627	1076273209	/nfs/dbraw/zinc/27/32/09/1076273209.db2.gz	LDOLZECHOZMASQ-FGTMMUONSA-N	1	1	413.559	1.970	20	0		HDADMO
COCCN(CC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000733951627	1076273213	/nfs/dbraw/zinc/27/32/13/1076273213.db2.gz	LDOLZECHOZMASQ-FGTMMUONSA-N	1	1	413.559	1.970	20	0		HDADMO
C[NH+](C)CCN1CCC(CNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1	ZINC000733976378	1076280753	/nfs/dbraw/zinc/28/07/53/1076280753.db2.gz	OZPWVHRIWDGGMA-UHFFFAOYSA-N	1	1	418.563	1.885	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1C	ZINC000733970067	1076287620	/nfs/dbraw/zinc/28/76/20/1076287620.db2.gz	HVQQBNKTALIHEA-UHFFFAOYSA-N	1	1	420.477	1.570	20	0		HDADMO
COc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c1	ZINC001083151832	1076317534	/nfs/dbraw/zinc/31/75/34/1076317534.db2.gz	WESPWLYBYBTDSD-OFOKGCAXSA-N	1	1	402.491	1.158	20	0		HDADMO
COc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c1	ZINC001083151832	1076317538	/nfs/dbraw/zinc/31/75/38/1076317538.db2.gz	WESPWLYBYBTDSD-OFOKGCAXSA-N	1	1	402.491	1.158	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)C1	ZINC000728041938	1076318022	/nfs/dbraw/zinc/31/80/22/1076318022.db2.gz	FNQXUJUMPNBCJB-JKSBSHDWSA-N	1	1	416.522	1.583	20	0		HDADMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)C1	ZINC000728041938	1076318025	/nfs/dbraw/zinc/31/80/25/1076318025.db2.gz	FNQXUJUMPNBCJB-JKSBSHDWSA-N	1	1	416.522	1.583	20	0		HDADMO
COc1ccccc1C[NH+]1CCN(Cn2nc(N3CCOCC3)n(C)c2=S)CC1	ZINC000728048615	1076318983	/nfs/dbraw/zinc/31/89/83/1076318983.db2.gz	XJMQERQWOWNYIH-UHFFFAOYSA-N	1	1	418.567	1.572	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000728053560	1076320866	/nfs/dbraw/zinc/32/08/66/1076320866.db2.gz	OWKSKRXHMSMMNB-GOSISDBHSA-N	1	1	407.555	1.759	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@@H](C3OCCO3)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000728053442	1076321411	/nfs/dbraw/zinc/32/14/11/1076321411.db2.gz	KGPDMICSKZXDQR-APWZRJJASA-N	1	1	415.490	1.895	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1	ZINC000728072214	1076333000	/nfs/dbraw/zinc/33/30/00/1076333000.db2.gz	ABXBAZWFVZJNHZ-MRXNPFEDSA-N	1	1	419.526	1.973	20	0		HDADMO
CC(=O)[C@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)=NN1c1ccccc1	ZINC000728073103	1076333765	/nfs/dbraw/zinc/33/37/65/1076333765.db2.gz	PUTIORJDNRJGLM-WOJBJXKFSA-N	1	1	413.522	1.269	20	0		HDADMO
CCCc1ccc(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1	ZINC000728077933	1076334499	/nfs/dbraw/zinc/33/44/99/1076334499.db2.gz	REZSNTXNVXXXSQ-RBUKOAKNSA-N	1	1	414.550	1.696	20	0		HDADMO
C[N@@H+](CCOc1cccc(CNC(=O)N2CCCNC(=O)C2)c1)C1CCOCC1	ZINC000728133488	1076339352	/nfs/dbraw/zinc/33/93/52/1076339352.db2.gz	HOMDDSFRKMGINQ-UHFFFAOYSA-N	1	1	404.511	1.208	20	0		HDADMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccco1	ZINC000728136736	1076340363	/nfs/dbraw/zinc/34/03/63/1076340363.db2.gz	WUJGAQFRZYZQIS-KRWDZBQOSA-N	1	1	404.442	1.613	20	0		HDADMO
CCc1noc2ncc(C(=O)OCC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc12	ZINC000728103644	1076340595	/nfs/dbraw/zinc/34/05/95/1076340595.db2.gz	QOAFNXKQUWNODO-HNNXBMFYSA-N	1	1	404.467	1.415	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@H+]1CCCC[C@H]1C	ZINC000728137416	1076340698	/nfs/dbraw/zinc/34/06/98/1076340698.db2.gz	XSJJDJFHKSAIPW-HZPDHXFCSA-N	1	1	406.502	1.980	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1F	ZINC000728152254	1076348662	/nfs/dbraw/zinc/34/86/62/1076348662.db2.gz	ZHLRLUWOSGHGEE-GOSISDBHSA-N	1	1	415.450	1.666	20	0		HDADMO
CC[N@@H+](CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)C1CCCCC1	ZINC000027285373	1076358806	/nfs/dbraw/zinc/35/88/06/1076358806.db2.gz	COOZRHWNVNTNLX-UHFFFAOYSA-N	1	1	423.558	1.409	20	0		HDADMO
COc1ccc(C[N@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1	ZINC000027346989	1076358998	/nfs/dbraw/zinc/35/89/98/1076358998.db2.gz	OOYKIKUVQPFHMB-AWEZNQCLSA-N	1	1	403.504	1.752	20	0		HDADMO
COc1ccc(C[N@@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1	ZINC000027346989	1076359003	/nfs/dbraw/zinc/35/90/03/1076359003.db2.gz	OOYKIKUVQPFHMB-AWEZNQCLSA-N	1	1	403.504	1.752	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)C1	ZINC000729980347	1076404969	/nfs/dbraw/zinc/40/49/69/1076404969.db2.gz	NVPPAQUZWVQGQX-CYBMUJFWSA-N	1	1	417.478	1.246	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1	ZINC000729981130	1076406108	/nfs/dbraw/zinc/40/61/08/1076406108.db2.gz	VIRGRIGLVXJIMS-ZDUSSCGKSA-N	1	1	408.300	1.870	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1	ZINC000729982863	1076407429	/nfs/dbraw/zinc/40/74/29/1076407429.db2.gz	ILTSQAVNKQXSET-INIZCTEOSA-N	1	1	424.505	1.681	20	0		HDADMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1	ZINC000730129939	1076459563	/nfs/dbraw/zinc/45/95/63/1076459563.db2.gz	GJVPDKUDKJGJFF-BBRMVZONSA-N	1	1	404.433	1.554	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)C2=O)cc1	ZINC000730252007	1076497546	/nfs/dbraw/zinc/49/75/46/1076497546.db2.gz	KIUDUEXRXOVUSH-LAUBAEHRSA-N	1	1	402.495	1.354	20	0		HDADMO
COc1ccc(C[C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@@H](CNC(C)=O)C3)C2=O)cc1	ZINC000730252007	1076497553	/nfs/dbraw/zinc/49/75/53/1076497553.db2.gz	KIUDUEXRXOVUSH-LAUBAEHRSA-N	1	1	402.495	1.354	20	0		HDADMO
COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000730266713	1076507467	/nfs/dbraw/zinc/50/74/67/1076507467.db2.gz	ZYMSRQJTDFSUGM-UONOGXRCSA-N	1	1	400.520	1.472	20	0		HDADMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCC(=O)N1CCOc2ccccc21	ZINC000730283315	1076512918	/nfs/dbraw/zinc/51/29/18/1076512918.db2.gz	WEAXMAKDHLMOSO-GOSISDBHSA-N	1	1	416.522	1.251	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1	ZINC000730286407	1076514848	/nfs/dbraw/zinc/51/48/48/1076514848.db2.gz	MYWXASWHMXRQPE-CYBMUJFWSA-N	1	1	408.959	1.639	20	0		HDADMO
C[NH+](C)CCN1C(=O)C[C@H](N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O	ZINC000730272499	1076516905	/nfs/dbraw/zinc/51/69/05/1076516905.db2.gz	RGVAXHLHGKEOHE-ROUUACIJSA-N	1	1	422.570	1.787	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1=O	ZINC000730293785	1076531130	/nfs/dbraw/zinc/53/11/30/1076531130.db2.gz	PJJMNKOXPPEJPI-BRWVUGGUSA-N	1	1	408.543	1.445	20	0		HDADMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C[C@@H](C)O1	ZINC000730384935	1076552467	/nfs/dbraw/zinc/55/24/67/1076552467.db2.gz	IOPPESFGFNZTRA-HUUCEWRRSA-N	1	1	417.485	1.954	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC1	ZINC000730385008	1076565889	/nfs/dbraw/zinc/56/58/89/1076565889.db2.gz	KYMMSHFWZPBLMU-UHFFFAOYSA-N	1	1	416.501	1.484	20	0		HDADMO
CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1	ZINC000730536260	1076593118	/nfs/dbraw/zinc/59/31/18/1076593118.db2.gz	GJILXORXUIDVHS-HNNXBMFYSA-N	1	1	411.553	1.253	20	0		HDADMO
CN(C(=O)OC(C)(C)C)C1CC[NH+](CC(=O)NCC(C)(C)N2CCOCC2)CC1	ZINC000730571734	1076606971	/nfs/dbraw/zinc/60/69/71/1076606971.db2.gz	LIPGMLWBIJXMJP-UHFFFAOYSA-N	1	1	412.575	1.545	20	0		HDADMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O	ZINC000730785810	1076657509	/nfs/dbraw/zinc/65/75/09/1076657509.db2.gz	JYDJRRFBZCVFDI-ZSDSOXJFSA-N	1	1	404.486	1.972	20	0		HDADMO
CS(=O)(=O)c1cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1F	ZINC000730815797	1076669586	/nfs/dbraw/zinc/66/95/86/1076669586.db2.gz	VQVGIEZDUSEHNX-AWEZNQCLSA-N	1	1	404.529	1.868	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3Cc4ccccc4C(=O)O3)c2)C1	ZINC000730971388	1076702182	/nfs/dbraw/zinc/70/21/82/1076702182.db2.gz	WEWCTMSYNIVLHQ-TZIWHRDSSA-N	1	1	421.497	1.782	20	0		HDADMO
COC(=O)N[C@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C(C)C	ZINC000730964009	1076703199	/nfs/dbraw/zinc/70/31/99/1076703199.db2.gz	HMGSGMLVYGRWPE-IBGZPJMESA-N	1	1	420.510	1.344	20	0		HDADMO
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000731008659	1076709350	/nfs/dbraw/zinc/70/93/50/1076709350.db2.gz	LRIGDCZVOKTHQA-CRAIPNDOSA-N	1	1	418.538	1.913	20	0		HDADMO
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000731008662	1076709709	/nfs/dbraw/zinc/70/97/09/1076709709.db2.gz	LRIGDCZVOKTHQA-YJBOKZPZSA-N	1	1	418.538	1.913	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(-n4ccnc4)nc3)c2)C1	ZINC000731008618	1076709746	/nfs/dbraw/zinc/70/97/46/1076709746.db2.gz	KRYASNDCTUOOHB-HXUWFJFHSA-N	1	1	418.501	1.895	20	0		HDADMO
CCOC(=O)N[C@@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)C	ZINC000731008885	1076709994	/nfs/dbraw/zinc/70/99/94/1076709994.db2.gz	VTBWQTDHPCSAHI-RBUKOAKNSA-N	1	1	418.538	1.771	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1	ZINC000731008327	1076710081	/nfs/dbraw/zinc/71/00/81/1076710081.db2.gz	ZFUVIMHVVONCAQ-ZDUSSCGKSA-N	1	1	421.535	1.987	20	0		HDADMO
NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1	ZINC000731020288	1076712292	/nfs/dbraw/zinc/71/22/92/1076712292.db2.gz	QKPBIHKFJNXJSW-MCFDBRLESA-N	1	1	410.518	1.390	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1	ZINC000731024871	1076712997	/nfs/dbraw/zinc/71/29/97/1076712997.db2.gz	JNDAHKFKIHRWAD-ZBFHGGJFSA-N	1	1	421.519	1.082	20	0		HDADMO
CCCC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@H]1CCS(=O)(=O)C1	ZINC000731214425	1076749264	/nfs/dbraw/zinc/74/92/64/1076749264.db2.gz	NROFYNRJFGLCHR-HNDQUVLASA-N	1	1	404.554	1.256	20	0		HDADMO
CCOC(=O)N(C)C1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1	ZINC000731232750	1076761129	/nfs/dbraw/zinc/76/11/29/1076761129.db2.gz	JVPWHUMKRRXVFA-SJLPKXTDSA-N	1	1	408.543	1.399	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1	ZINC000731216452	1076766217	/nfs/dbraw/zinc/76/62/17/1076766217.db2.gz	LPPBYFMJNHBFOR-UHFFFAOYSA-N	1	1	414.959	1.690	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)CCCS(C)(=O)=O)CC1	ZINC000731257767	1076772076	/nfs/dbraw/zinc/77/20/76/1076772076.db2.gz	LXZIPUPEFCESNL-UHFFFAOYSA-N	1	1	410.536	1.397	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3ncnc4cc(Cl)cnc43)CC2)C1=O	ZINC001164638275	719276266	/nfs/dbraw/zinc/27/62/66/719276266.db2.gz	FJEODALAVKVGBG-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4cc(Cl)cnc43)CC2)C1=O	ZINC001164638275	719276270	/nfs/dbraw/zinc/27/62/70/719276270.db2.gz	FJEODALAVKVGBG-UHFFFAOYSA-N	1	1	404.902	1.438	20	0		HDADMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(S(N)(=O)=O)cc1Cl)CC2	ZINC001164649772	719310024	/nfs/dbraw/zinc/31/00/24/719310024.db2.gz	SNZQFICTWQUWAZ-UHFFFAOYSA-N	1	1	412.947	1.784	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H](NC(=O)CC4CC4)[C@@H]4OCCC[C@H]4C3)n2)CC1	ZINC001164656666	719326568	/nfs/dbraw/zinc/32/65/68/719326568.db2.gz	ZVFIDDJUBJHFJO-WAOWUJCRSA-N	1	1	414.554	1.129	20	0		HDADMO
C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@@H]21	ZINC001164674841	719442014	/nfs/dbraw/zinc/44/20/14/719442014.db2.gz	XQDRAFPXXLFDFA-JKSUJKDBSA-N	1	1	415.563	1.531	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2	ZINC001164685462	719732742	/nfs/dbraw/zinc/73/27/42/719732742.db2.gz	LFUSOFHDWZVJHC-UHFFFAOYSA-N	1	1	421.567	1.047	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)nc1OC)CC2	ZINC001164685441	719734161	/nfs/dbraw/zinc/73/41/61/719734161.db2.gz	KYNGTCVILJQZDT-UHFFFAOYSA-N	1	1	403.861	1.864	20	0		HDADMO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)CC2	ZINC001164689347	719737875	/nfs/dbraw/zinc/73/78/75/719737875.db2.gz	BUWCXQUIOWVZTG-UHFFFAOYSA-N	1	1	420.901	1.579	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)CC2	ZINC001164689347	719737883	/nfs/dbraw/zinc/73/78/83/719737883.db2.gz	BUWCXQUIOWVZTG-UHFFFAOYSA-N	1	1	420.901	1.579	20	0		HDADMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(OC)nc(N3CCCCCC3)n1)CC2	ZINC001164689390	719739437	/nfs/dbraw/zinc/73/94/37/719739437.db2.gz	DVFOGTOIFWZLNQ-UHFFFAOYSA-N	1	1	417.558	1.441	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1)C1CC1	ZINC001164703622	719923089	/nfs/dbraw/zinc/92/30/89/719923089.db2.gz	LCJHFDXKKPOFQP-RLLQIKCJSA-N	1	1	400.523	1.929	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2	ZINC001164815377	720067697	/nfs/dbraw/zinc/06/76/97/720067697.db2.gz	YWKBDKJPCXRBPU-KBXCAEBGSA-N	1	1	414.959	1.718	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)C2	ZINC001164816811	720186782	/nfs/dbraw/zinc/18/67/82/720186782.db2.gz	MUXJJFSKTVSDHW-NPPFBWRTSA-N	1	1	414.554	1.115	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4ccc(F)cc43)C2)C1	ZINC001164720376	720230028	/nfs/dbraw/zinc/23/00/28/720230028.db2.gz	ZPNQHMRHGKXKKW-NRFANRHFSA-N	1	1	401.486	1.742	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4ccc(F)cc43)C2)C1	ZINC001164720376	720230032	/nfs/dbraw/zinc/23/00/32/720230032.db2.gz	ZPNQHMRHGKXKKW-NRFANRHFSA-N	1	1	401.486	1.742	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1	ZINC001164718703	720236767	/nfs/dbraw/zinc/23/67/67/720236767.db2.gz	HFVWRFVYOOTGSP-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1	ZINC001164718703	720236787	/nfs/dbraw/zinc/23/67/87/720236787.db2.gz	HFVWRFVYOOTGSP-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164816712	720246211	/nfs/dbraw/zinc/24/62/11/720246211.db2.gz	LRHLGNAIUZWKMU-UHFFFAOYSA-N	1	1	419.917	1.297	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1	ZINC001164718196	720255318	/nfs/dbraw/zinc/25/53/18/720255318.db2.gz	CVDYJHBSZOQJLR-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1	ZINC001164718196	720255327	/nfs/dbraw/zinc/25/53/27/720255327.db2.gz	CVDYJHBSZOQJLR-HXUWFJFHSA-N	1	1	403.914	1.948	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(F)c(OC)cc43)C2)C1	ZINC001164721490	720267220	/nfs/dbraw/zinc/26/72/20/720267220.db2.gz	JXMURTPZUVUYOH-OAQYLSRUSA-N	1	1	417.485	1.442	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(F)c(OC)cc43)C2)C1	ZINC001164721490	720267231	/nfs/dbraw/zinc/26/72/31/720267231.db2.gz	JXMURTPZUVUYOH-OAQYLSRUSA-N	1	1	417.485	1.442	20	0		HDADMO
CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)C1	ZINC001164723710	720293226	/nfs/dbraw/zinc/29/32/26/720293226.db2.gz	XBIHLXPMVQGHMX-JOCHJYFZSA-N	1	1	401.555	1.341	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(SC)nc(SC)n3)C2)C1	ZINC001164724635	720307966	/nfs/dbraw/zinc/30/79/66/720307966.db2.gz	SQLULQGRIRHGEA-SFHVURJKSA-N	1	1	411.597	1.585	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(SC)nc(SC)n3)C2)C1	ZINC001164724635	720307972	/nfs/dbraw/zinc/30/79/72/720307972.db2.gz	SQLULQGRIRHGEA-SFHVURJKSA-N	1	1	411.597	1.585	20	0		HDADMO
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2c2ccc(C[N@@H+](C)C3CC3)cn2)O1	ZINC001164723068	720324141	/nfs/dbraw/zinc/32/41/41/720324141.db2.gz	GWKOYFPXKYGLJS-SLFFLAALSA-N	1	1	402.539	1.907	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2n[nH]c(Cl)c3ncnc2-3)CC1	ZINC001164823330	720326678	/nfs/dbraw/zinc/32/66/78/720326678.db2.gz	AOWYVOAGAPRLIA-KGLIPLIRSA-N	1	1	403.918	1.918	20	0		HDADMO
Clc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCOCC2)n1	ZINC001164726074	720353171	/nfs/dbraw/zinc/35/31/71/720353171.db2.gz	PLNWPVKYZPEDDG-HZPDHXFCSA-N	1	1	401.902	1.610	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CC[C@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)n2)CC1	ZINC001164732774	720503352	/nfs/dbraw/zinc/50/33/52/720503352.db2.gz	XCJOZTXTZAHAFU-XMSQKQJNSA-N	1	1	423.521	1.248	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cnc3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164842450	720528975	/nfs/dbraw/zinc/52/89/75/720528975.db2.gz	XKXPXNNJTUKBIW-SOUVJXGZSA-N	1	1	403.918	1.803	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(S(N)(=O)=O)n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164843237	720647942	/nfs/dbraw/zinc/64/79/42/720647942.db2.gz	VSASUMQXMSCPQL-IXDOHACOSA-N	1	1	404.540	1.303	20	0		HDADMO
CCOC(=O)c1cc(Cl)nnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164745710	720653031	/nfs/dbraw/zinc/65/30/31/720653031.db2.gz	VQNJZOGCPJGLRC-QWHCGFSZSA-N	1	1	404.858	1.439	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1S(N)(=O)=O)CC2	ZINC001164841942	720666174	/nfs/dbraw/zinc/66/61/74/720666174.db2.gz	RDXKRDCYATXJMV-SFHVURJKSA-N	1	1	416.547	1.989	20	0		HDADMO
CCOC(=O)c1cnc2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)[nH]cc1-2	ZINC001164739006	720749168	/nfs/dbraw/zinc/74/91/68/720749168.db2.gz	HKQABBQDSIDCAJ-CABCVRRESA-N	1	1	408.462	1.872	20	0		HDADMO
c1nc2c(ncnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1-c1ccccc1	ZINC001164751986	720796664	/nfs/dbraw/zinc/79/66/64/720796664.db2.gz	YIYQFHRCTHKXBP-MSOLQXFVSA-N	1	1	414.473	1.947	20	0		HDADMO
CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2C1	ZINC001164743518	720801534	/nfs/dbraw/zinc/80/15/34/720801534.db2.gz	GHQQVXGXSVAFFO-ZIAGYGMSSA-N	1	1	401.902	1.250	20	0		HDADMO
Clc1cc(O[C@@H]2CCOC2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164743501	720804331	/nfs/dbraw/zinc/80/43/31/720804331.db2.gz	GEXLUDUOQUMVKT-KFWWJZLASA-N	1	1	418.885	1.430	20	0		HDADMO
Clc1nc2nc[nH]c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164750068	720810961	/nfs/dbraw/zinc/81/09/61/720810961.db2.gz	VCLWEKQXYVENHY-RBSFLKMASA-N	1	1	413.917	1.977	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1Cl	ZINC001164750399	720813843	/nfs/dbraw/zinc/81/38/43/720813843.db2.gz	VMJXEOMXVYHYCP-RLFYNMQTSA-N	1	1	415.929	1.805	20	0		HDADMO
NC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1Cl	ZINC001164750395	720814123	/nfs/dbraw/zinc/81/41/23/720814123.db2.gz	VMJXEOMXVYHYCP-HDMKZQKVSA-N	1	1	415.929	1.805	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@@H]43)c2)CC1	ZINC001164847297	720822774	/nfs/dbraw/zinc/82/27/74/720822774.db2.gz	ITRDNOMJLGDBGT-SLFFLAALSA-N	1	1	416.522	1.845	20	0		HDADMO
CN(C)C(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164741376	720824124	/nfs/dbraw/zinc/82/41/24/720824124.db2.gz	NMZNDMSGMKCKKB-XUVXKRRUSA-N	1	1	409.538	1.754	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CCCCC3)CC[C@@H]2C1	ZINC001164856554	720836305	/nfs/dbraw/zinc/83/63/05/720836305.db2.gz	WTWYCQUFFYPKGT-QUCCMNQESA-N	1	1	402.539	1.881	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc4cc(C(=O)OC)ccc4n3)CC[C@H]2C1	ZINC001164850938	720839485	/nfs/dbraw/zinc/83/94/85/720839485.db2.gz	FRSMJRSXTDBMAT-QFBILLFUSA-N	1	1	400.479	1.590	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)CC[C@H]2C1	ZINC001164853279	720840860	/nfs/dbraw/zinc/84/08/60/720840860.db2.gz	NUIFXBMAZANNTK-HOTGVXAUSA-N	1	1	407.515	1.997	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC)c(OC)cc43)CC[C@H]2C1	ZINC001164853243	720841845	/nfs/dbraw/zinc/84/18/45/720841845.db2.gz	NMNQUNSQEYWIBJ-MGPUTAFESA-N	1	1	402.495	1.821	20	0		HDADMO
NC(=S)Nc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164754026	720854295	/nfs/dbraw/zinc/85/42/95/720854295.db2.gz	ZQSXHOXKAZQQOH-RYQLBKOJSA-N	1	1	412.567	1.708	20	0		HDADMO
Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164743835	720854513	/nfs/dbraw/zinc/85/45/13/720854513.db2.gz	AALQGBODSAVECD-GBESFXJTSA-N	1	1	420.525	1.337	20	0		HDADMO
CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1	ZINC001164856659	720854818	/nfs/dbraw/zinc/85/48/18/720854818.db2.gz	OVJPJMTWKJQYNV-AEFFLSMTSA-N	1	1	404.511	1.704	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C/C(=O)OC)cc4cc[nH]c43)CC[C@@H]2C1	ZINC001164852033	720868322	/nfs/dbraw/zinc/86/83/22/720868322.db2.gz	BUUKDWWOAYDXDO-JFZXIXNHSA-N	1	1	414.506	1.923	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@@H]2C1	ZINC001164865293	720877418	/nfs/dbraw/zinc/87/74/18/720877418.db2.gz	ZSMFXYCYZIKQQR-VXGBXAGGSA-N	1	1	416.860	1.676	20	0		HDADMO
NC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1	ZINC001164747896	720878567	/nfs/dbraw/zinc/87/85/67/720878567.db2.gz	CGBJOEONFKDWLE-AUSIDOKSSA-N	1	1	422.533	1.726	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c(OC)cc(OC)cc43)CC[C@H]2C1	ZINC001164864431	720890367	/nfs/dbraw/zinc/89/03/67/720890367.db2.gz	VSKYOAIMXLTFBG-HNAYVOBHSA-N	1	1	402.495	1.821	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(S(=O)(=O)N(C)C)cn1)[C@H]2C	ZINC001164859814	721002101	/nfs/dbraw/zinc/00/21/01/721002101.db2.gz	MSGSYKKADIBZFE-HNNXBMFYSA-N	1	1	406.556	1.950	20	0		HDADMO
Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)cn1	ZINC001164766622	721039462	/nfs/dbraw/zinc/03/94/62/721039462.db2.gz	RJNHOCBOUQPNQP-PMACEKPBSA-N	1	1	410.522	1.782	20	0		HDADMO
COC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12	ZINC001164866638	721105104	/nfs/dbraw/zinc/10/51/04/721105104.db2.gz	UKCAYCILNJCUGG-CVEARBPZSA-N	1	1	408.462	1.619	20	0		HDADMO
CNC(=O)c1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl	ZINC001164863397	721106955	/nfs/dbraw/zinc/10/69/55/721106955.db2.gz	CFKFHKCGFFMXMR-HZPDHXFCSA-N	1	1	401.898	1.969	20	0		HDADMO
CNC(=O)c1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl	ZINC001164863400	721107247	/nfs/dbraw/zinc/10/72/47/721107247.db2.gz	CFKFHKCGFFMXMR-JKSUJKDBSA-N	1	1	401.898	1.969	20	0		HDADMO
CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c21	ZINC001164872218	721130384	/nfs/dbraw/zinc/13/03/84/721130384.db2.gz	GYEFNIKBJQAPHU-HZPDHXFCSA-N	1	1	416.913	1.833	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@@H]3C2)cn1	ZINC001164764303	721163849	/nfs/dbraw/zinc/16/38/49/721163849.db2.gz	GZZSIYOBHSYUJQ-MOPGFXCFSA-N	1	1	408.506	1.422	20	0		HDADMO
CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1	ZINC001164764059	721196633	/nfs/dbraw/zinc/19/66/33/721196633.db2.gz	GCXAWGJJEYMPLE-ROUUACIJSA-N	1	1	418.567	1.460	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ccc4S(N)(=O)=O)C[C@@H]3C2)cn1	ZINC001164765936	721225901	/nfs/dbraw/zinc/22/59/01/721225901.db2.gz	IRJWZDMYGYTINY-KBPBESRZSA-N	1	1	410.931	1.074	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1	ZINC001164760691	721247198	/nfs/dbraw/zinc/24/71/98/721247198.db2.gz	FXXRFMXQUYNIIJ-GJZGRUSLSA-N	1	1	403.918	1.572	20	0		HDADMO
COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164877307	721260472	/nfs/dbraw/zinc/26/04/72/721260472.db2.gz	QPOHLSRMPMJWTD-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4[nH]ccc43)CC2)C1	ZINC001164871791	721261114	/nfs/dbraw/zinc/26/11/14/721261114.db2.gz	AEQZNMLOSIQIJN-UHFFFAOYSA-N	1	1	406.918	1.618	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3ncn4C)CC2)C1	ZINC001164868949	721269868	/nfs/dbraw/zinc/26/98/68/721269868.db2.gz	GTRXANJFPRQQNM-UHFFFAOYSA-N	1	1	421.933	1.024	20	0		HDADMO
CSc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164872760	721275520	/nfs/dbraw/zinc/27/55/20/721275520.db2.gz	FRBOEUJKKJVYLU-UHFFFAOYSA-N	1	1	413.975	1.859	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3Cc4cncn4C[C@@H](COc4cccnc4)C3)n2)CC1	ZINC001164766201	721276999	/nfs/dbraw/zinc/27/69/99/721276999.db2.gz	ACHYKAZJOAKTKC-SFHVURJKSA-N	1	1	420.521	1.535	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)n2)CC1	ZINC001164881919	721314555	/nfs/dbraw/zinc/31/45/55/721314555.db2.gz	YABYYLRIMHRPEJ-CEXWTWQISA-N	1	1	410.522	1.686	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1	ZINC001164882486	721338065	/nfs/dbraw/zinc/33/80/65/721338065.db2.gz	FHNXQZWZDOYQFF-XXBNENTESA-N	1	1	414.550	1.768	20	0		HDADMO
CCOC(=O)c1cncnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164886344	721378891	/nfs/dbraw/zinc/37/88/91/721378891.db2.gz	FIGQDLMBHVMXLC-LAUBAEHRSA-N	1	1	403.527	1.419	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C(N)=O)c(Cl)cn4)C3)O2)CC1	ZINC001164894104	721386781	/nfs/dbraw/zinc/38/67/81/721386781.db2.gz	XRAPXNBRXDLQKM-QRWLVFNGSA-N	1	1	407.946	1.599	20	0		HDADMO
Clc1ncc(N2CCOCC2)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1	ZINC001164789017	721411556	/nfs/dbraw/zinc/41/15/56/721411556.db2.gz	UIUDIPAMWUFEEN-ZIAGYGMSSA-N	1	1	406.943	1.991	20	0		HDADMO
CN(C)c1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2nc[nH]c21	ZINC001164886570	721419549	/nfs/dbraw/zinc/41/95/49/721419549.db2.gz	JZABIBDIQITRKY-IERDGZPVSA-N	1	1	414.558	1.184	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(S(C)(=O)=O)cn4)C3)O2)CC1	ZINC001164896786	721429221	/nfs/dbraw/zinc/42/92/21/721429221.db2.gz	RZUWPWJWVWSIDD-XLIONFOSSA-N	1	1	408.568	1.251	20	0		HDADMO
O=S(=O)(c1ccnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1)N1CCCC1	ZINC001164785696	721432004	/nfs/dbraw/zinc/43/20/04/721432004.db2.gz	OBFSPESTUGBGGD-IYBDPMFKSA-N	1	1	419.576	1.891	20	0		HDADMO
O=S(=O)(c1ccnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1)N1CCCC1	ZINC001164785696	721432005	/nfs/dbraw/zinc/43/20/05/721432005.db2.gz	OBFSPESTUGBGGD-IYBDPMFKSA-N	1	1	419.576	1.891	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(Cn5cncn5)cn4)C3)O2)CC1	ZINC001164899371	721434979	/nfs/dbraw/zinc/43/49/79/721434979.db2.gz	YIZURXCASYTBJI-IRLDBZIGSA-N	1	1	411.554	1.487	20	0		HDADMO
CCCNC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164888775	721436325	/nfs/dbraw/zinc/43/63/25/721436325.db2.gz	AVQZUMVQFFXINO-REWPJTCUSA-N	1	1	415.582	1.987	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(NC(N)=S)cn4)C3)O2)CC1	ZINC001164894249	721443383	/nfs/dbraw/zinc/44/33/83/721443383.db2.gz	LDIPFCLYAMMNBJ-YLJYHZDGSA-N	1	1	404.584	1.503	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(NC(N)=S)cn4)C3)O2)CC1	ZINC001164894247	721443462	/nfs/dbraw/zinc/44/34/62/721443462.db2.gz	LDIPFCLYAMMNBJ-XLIONFOSSA-N	1	1	404.584	1.503	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4NC(=O)CS5)C3)O2)CC1	ZINC001164892026	721451085	/nfs/dbraw/zinc/45/10/85/721451085.db2.gz	VUFWCIVKGIWBSQ-FOIQADDNSA-N	1	1	418.567	1.286	20	0		HDADMO
CNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164887089	721451231	/nfs/dbraw/zinc/45/12/31/721451231.db2.gz	IRTPSDGMJKUEEH-MGPUTAFESA-N	1	1	422.961	1.255	20	0		HDADMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cn1)CC2	ZINC001164787756	721453122	/nfs/dbraw/zinc/45/31/22/721453122.db2.gz	QBYIMDDXVQCPEB-LJQANCHMSA-N	1	1	418.538	1.997	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCC4(CCC(=O)N4Cc4ccncc4)CC3)n2)CC1	ZINC001164896875	721507124	/nfs/dbraw/zinc/50/71/24/721507124.db2.gz	BQLOGXSJBAHPOM-UHFFFAOYSA-N	1	1	421.549	1.785	20	0		HDADMO
CN1CCN(c2nccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1	ZINC001164905404	721561264	/nfs/dbraw/zinc/56/12/64/721561264.db2.gz	HGBFHVQMZIEMAK-ICSRJNTNSA-N	1	1	412.513	1.709	20	0		HDADMO
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@H]12	ZINC001164800352	721569743	/nfs/dbraw/zinc/56/97/43/721569743.db2.gz	FCUZZHMQENITQL-XJUOHMSHSA-N	1	1	408.550	1.754	20	0		HDADMO
COC(=O)c1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1OC	ZINC001164800020	721591299	/nfs/dbraw/zinc/59/12/99/721591299.db2.gz	BFVMJWMECGROFJ-SOLBZPMBSA-N	1	1	413.478	1.535	20	0		HDADMO
COC(=O)c1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1OC	ZINC001164800020	721591303	/nfs/dbraw/zinc/59/13/03/721591303.db2.gz	BFVMJWMECGROFJ-SOLBZPMBSA-N	1	1	413.478	1.535	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@@H]2CCCO[C@H]21	ZINC001164808874	721591885	/nfs/dbraw/zinc/59/18/85/721591885.db2.gz	QZYFHSKMPMHTEQ-QWFCFKBJSA-N	1	1	408.506	1.716	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@@H]2CCCO[C@H]21	ZINC001164808874	721591886	/nfs/dbraw/zinc/59/18/86/721591886.db2.gz	QZYFHSKMPMHTEQ-QWFCFKBJSA-N	1	1	408.506	1.716	20	0		HDADMO
NS(=O)(=O)c1cccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC001164912194	721736935	/nfs/dbraw/zinc/73/69/35/721736935.db2.gz	MOOVICGXPLBLSB-GOSISDBHSA-N	1	1	423.489	1.862	20	0		HDADMO
C[N@@H+](Cc1ccc(N2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1)C1CC1	ZINC001165023739	721777493	/nfs/dbraw/zinc/77/74/93/721777493.db2.gz	UNHANGASDHNGIB-REWPJTCUSA-N	1	1	414.550	1.910	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(N)(=O)=O)ccn3)C[C@@H]21	ZINC001165024112	721827762	/nfs/dbraw/zinc/82/77/62/721827762.db2.gz	JSWWILXJIMBASI-ZYSHUDEJSA-N	1	1	401.536	1.861	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1	ZINC001164925765	721852774	/nfs/dbraw/zinc/85/27/74/721852774.db2.gz	FYUXFCJCURCQLU-IAGOWNOFSA-N	1	1	402.568	1.743	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1	ZINC001164925765	721852775	/nfs/dbraw/zinc/85/27/75/721852775.db2.gz	FYUXFCJCURCQLU-IAGOWNOFSA-N	1	1	402.568	1.743	20	0		HDADMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1	ZINC001164925767	721853111	/nfs/dbraw/zinc/85/31/11/721853111.db2.gz	FYUXFCJCURCQLU-IRXDYDNUSA-N	1	1	402.568	1.743	20	0		HDADMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1	ZINC001164925767	721853113	/nfs/dbraw/zinc/85/31/13/721853113.db2.gz	FYUXFCJCURCQLU-IRXDYDNUSA-N	1	1	402.568	1.743	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)CC1	ZINC001164921012	721870877	/nfs/dbraw/zinc/87/08/77/721870877.db2.gz	BUDZWQSONJVBEL-QZTJIDSGSA-N	1	1	402.543	1.081	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)CC1	ZINC001164921012	721870878	/nfs/dbraw/zinc/87/08/78/721870878.db2.gz	BUDZWQSONJVBEL-QZTJIDSGSA-N	1	1	402.543	1.081	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164933024	721881408	/nfs/dbraw/zinc/88/14/08/721881408.db2.gz	KVHJSFKIVBEPCF-RBUKOAKNSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164933024	721881410	/nfs/dbraw/zinc/88/14/10/721881410.db2.gz	KVHJSFKIVBEPCF-RBUKOAKNSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1	ZINC001164935107	721881512	/nfs/dbraw/zinc/88/15/12/721881512.db2.gz	VZRLUGKHODHHBI-ROUUACIJSA-N	1	1	409.600	1.763	20	0		HDADMO
CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1	ZINC001164935107	721881513	/nfs/dbraw/zinc/88/15/13/721881513.db2.gz	VZRLUGKHODHHBI-ROUUACIJSA-N	1	1	409.600	1.763	20	0		HDADMO
Cc1nc(N2CCCC2)cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)[nH+]1	ZINC001164931641	721902955	/nfs/dbraw/zinc/90/29/55/721902955.db2.gz	WBEQNONTKQMOTH-UHFFFAOYSA-N	1	1	411.554	1.990	20	0		HDADMO
COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(C)noc1C	ZINC001164944004	721938257	/nfs/dbraw/zinc/93/82/57/721938257.db2.gz	QSHLKWBSUNLMLB-SJORKVTESA-N	1	1	412.450	1.391	20	0		HDADMO
CCN(CCC(N)=O)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1	ZINC001165048416	721983776	/nfs/dbraw/zinc/98/37/76/721983776.db2.gz	WWJNETODVMDHLM-OAHLLOKOSA-N	1	1	405.543	1.582	20	0		HDADMO
c1cc(C[N@H+]2CCOCC3(CCN(c4ccnc(N5CCOCC5)n4)CC3)C2)ccn1	ZINC001164964039	722057754	/nfs/dbraw/zinc/05/77/54/722057754.db2.gz	RAXWNTQSGOMTNY-UHFFFAOYSA-N	1	1	424.549	1.827	20	0		HDADMO
Cc1cc2c(c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n1)C(=O)NC2=O	ZINC001164960679	722059165	/nfs/dbraw/zinc/05/91/65/722059165.db2.gz	HBJWOCZFDFJAHD-UHFFFAOYSA-N	1	1	421.501	1.788	20	0		HDADMO
CC(C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1	ZINC001164967765	722075988	/nfs/dbraw/zinc/07/59/88/722075988.db2.gz	VLJUBUUQTWCFLU-HDICACEKSA-N	1	1	408.568	1.705	20	0		HDADMO
CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]12	ZINC001164985227	722098167	/nfs/dbraw/zinc/09/81/67/722098167.db2.gz	VPSYBSZAAPCFJD-SBHAEUEKSA-N	1	1	421.549	1.774	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1OC	ZINC001164978199	722103760	/nfs/dbraw/zinc/10/37/60/722103760.db2.gz	GDNZEGXEKQASLC-PXNSSMCTSA-N	1	1	412.490	1.999	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164982041	722133580	/nfs/dbraw/zinc/13/35/80/722133580.db2.gz	QUQLBFWLPGSIGC-QUCCMNQESA-N	1	1	411.506	1.837	20	0		HDADMO
COc1ccc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1	ZINC001164997110	722231341	/nfs/dbraw/zinc/23/13/41/722231341.db2.gz	PUKDCMYLADHWEK-UHFFFAOYSA-N	1	1	405.506	1.785	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nccc4c2C(=O)OC4(C)C)CC3)CC1	ZINC001164996630	722232090	/nfs/dbraw/zinc/23/20/90/722232090.db2.gz	HIPHJCOMABRONC-UHFFFAOYSA-N	1	1	408.506	1.634	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnnc(Cl)c2)CC3)CC1	ZINC001164997771	722233795	/nfs/dbraw/zinc/23/37/95/722233795.db2.gz	WGDWYSKKGDHUQA-UHFFFAOYSA-N	1	1	409.872	1.822	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4cc(Cl)cnc42)CC3)CC1	ZINC001164996408	722235101	/nfs/dbraw/zinc/23/51/01/722235101.db2.gz	GPUKBSQTRRURNW-UHFFFAOYSA-N	1	1	410.913	1.825	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccncc4)nn2)CC3)CC1	ZINC001165001780	722238472	/nfs/dbraw/zinc/23/84/72/722238472.db2.gz	LUOVWTBCCYSUNK-UHFFFAOYSA-N	1	1	402.506	1.686	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC3)CC1	ZINC001165003335	722240110	/nfs/dbraw/zinc/24/01/10/722240110.db2.gz	JZXMWCUXTJWZEJ-UHFFFAOYSA-N	1	1	424.883	1.665	20	0		HDADMO
O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1	ZINC000429043961	1073458451	/nfs/dbraw/zinc/45/84/51/1073458451.db2.gz	TWMFSXNFTVPABL-NRFANRHFSA-N	1	1	415.534	1.524	20	0		HDADMO
COC(=O)C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1	ZINC000429046412	1073462467	/nfs/dbraw/zinc/46/24/67/1073462467.db2.gz	NJCJXIBVQAOVHM-RBUKOAKNSA-N	1	1	405.495	1.251	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000673639495	1073468347	/nfs/dbraw/zinc/46/83/47/1073468347.db2.gz	DTGCMGVTMQLQJR-IBGZPJMESA-N	1	1	402.520	1.613	20	0		HDADMO
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000673639495	1073468350	/nfs/dbraw/zinc/46/83/50/1073468350.db2.gz	DTGCMGVTMQLQJR-IBGZPJMESA-N	1	1	402.520	1.613	20	0		HDADMO
O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000429049279	1073469245	/nfs/dbraw/zinc/46/92/45/1073469245.db2.gz	UMUKNXZUYGINAD-FCHUYYIVSA-N	1	1	416.566	1.641	20	0		HDADMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000429049279	1073469252	/nfs/dbraw/zinc/46/92/52/1073469252.db2.gz	UMUKNXZUYGINAD-FCHUYYIVSA-N	1	1	416.566	1.641	20	0		HDADMO
CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O	ZINC000429050587	1073470917	/nfs/dbraw/zinc/47/09/17/1073470917.db2.gz	ZCPTUMIKGMJICK-OXJNMPFZSA-N	1	1	404.536	1.441	20	0		HDADMO
CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1=O	ZINC000429050587	1073470925	/nfs/dbraw/zinc/47/09/25/1073470925.db2.gz	ZCPTUMIKGMJICK-OXJNMPFZSA-N	1	1	404.536	1.441	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C[C@@H]1O	ZINC000509078318	1073481061	/nfs/dbraw/zinc/48/10/61/1073481061.db2.gz	AETJVFAGJZZQBE-BEFAXECRSA-N	1	1	407.536	1.063	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C[C@@H]1O	ZINC000509078318	1073481066	/nfs/dbraw/zinc/48/10/66/1073481066.db2.gz	AETJVFAGJZZQBE-BEFAXECRSA-N	1	1	407.536	1.063	20	0		HDADMO
COC(=O)CC1(NC(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)CCC1	ZINC000429057483	1073489188	/nfs/dbraw/zinc/48/91/88/1073489188.db2.gz	AFCWBJDCZBHVTH-UHFFFAOYSA-N	1	1	418.494	1.690	20	0		HDADMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O	ZINC001299281572	1073493332	/nfs/dbraw/zinc/49/33/32/1073493332.db2.gz	PBPWTMNVIOHXNL-PGRDOPGGSA-N	1	1	407.514	1.779	20	0		HDADMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O	ZINC001299281572	1073493335	/nfs/dbraw/zinc/49/33/35/1073493335.db2.gz	PBPWTMNVIOHXNL-PGRDOPGGSA-N	1	1	407.514	1.779	20	0		HDADMO
COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1	ZINC000429062643	1073497377	/nfs/dbraw/zinc/49/73/77/1073497377.db2.gz	UXXSEGPIDNYFSB-MJGOQNOKSA-N	1	1	409.552	1.732	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCOc1ncccc1F	ZINC000429073014	1073515481	/nfs/dbraw/zinc/51/54/81/1073515481.db2.gz	HZANRTIJNYFUEA-MRXNPFEDSA-N	1	1	402.474	1.504	20	0		HDADMO
CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000429075054	1073517830	/nfs/dbraw/zinc/51/78/30/1073517830.db2.gz	IQRLPCWDXFDDHR-INIZCTEOSA-N	1	1	410.540	1.513	20	0		HDADMO
CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000429075054	1073517843	/nfs/dbraw/zinc/51/78/43/1073517843.db2.gz	IQRLPCWDXFDDHR-INIZCTEOSA-N	1	1	410.540	1.513	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2csc(N(C)C)n2)cc1F	ZINC000671405273	1073520380	/nfs/dbraw/zinc/52/03/80/1073520380.db2.gz	QAHFGRWDKCZYOL-UHFFFAOYSA-N	1	1	416.482	1.775	20	0		HDADMO
O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625183916	1073552033	/nfs/dbraw/zinc/55/20/33/1073552033.db2.gz	OWVKDZFYPIKQNZ-SFHVURJKSA-N	1	1	424.501	1.337	20	0		HDADMO
C[C@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[C@@H]1O	ZINC000509114609	1073573431	/nfs/dbraw/zinc/57/34/31/1073573431.db2.gz	WYMQCDUTDODMCQ-JSGCOSHPSA-N	1	1	402.358	1.467	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1	ZINC000673657318	1073597092	/nfs/dbraw/zinc/59/70/92/1073597092.db2.gz	XJGPLHFHJJBBPB-KXBFYZLASA-N	1	1	402.520	1.832	20	0		HDADMO
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1	ZINC000673657318	1073597104	/nfs/dbraw/zinc/59/71/04/1073597104.db2.gz	XJGPLHFHJJBBPB-KXBFYZLASA-N	1	1	402.520	1.832	20	0		HDADMO
O=C(CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1)NC1CCCCC1	ZINC000673658106	1073598286	/nfs/dbraw/zinc/59/82/86/1073598286.db2.gz	LFMXHNTXNIULTG-NRFANRHFSA-N	1	1	413.566	1.639	20	0		HDADMO
O=C(CN1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1)NC1CCCCC1	ZINC000673658106	1073598297	/nfs/dbraw/zinc/59/82/97/1073598297.db2.gz	LFMXHNTXNIULTG-NRFANRHFSA-N	1	1	413.566	1.639	20	0		HDADMO
CN(c1ccc(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1)S(C)(=O)=O	ZINC000673669380	1073622510	/nfs/dbraw/zinc/62/25/10/1073622510.db2.gz	JBGAPZOSGKNBTI-NRFANRHFSA-N	1	1	417.531	1.336	20	0		HDADMO
NC(=O)C1(c2ccccc2)CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000673673744	1073630102	/nfs/dbraw/zinc/63/01/02/1073630102.db2.gz	VYGIRWKXRNVVHA-DEOSSOPVSA-N	1	1	407.514	1.669	20	0		HDADMO
CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673701187	1073643394	/nfs/dbraw/zinc/64/33/94/1073643394.db2.gz	VKVPYEKZDFTPAN-GOSISDBHSA-N	1	1	417.531	1.836	20	0		HDADMO
CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000673700892	1073643966	/nfs/dbraw/zinc/64/39/66/1073643966.db2.gz	XESYACYFZOSMSV-PMACEKPBSA-N	1	1	400.523	1.237	20	0		HDADMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000766019914	1073650639	/nfs/dbraw/zinc/65/06/39/1073650639.db2.gz	NUGIUYJMCOTBHR-LJQANCHMSA-N	1	1	419.501	1.433	20	0		HDADMO
CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c(=O)[nH]c1=O	ZINC000673713290	1073652701	/nfs/dbraw/zinc/65/27/01/1073652701.db2.gz	MVKIZUXGFXNFNC-INIZCTEOSA-N	1	1	410.478	1.597	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000673716604	1073655096	/nfs/dbraw/zinc/65/50/96/1073655096.db2.gz	XLGQYGJEUFUXCE-CTNGQTDRSA-N	1	1	408.550	1.720	20	0		HDADMO
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000673716610	1073655135	/nfs/dbraw/zinc/65/51/35/1073655135.db2.gz	XLGQYGJEUFUXCE-TZIWHRDSSA-N	1	1	408.550	1.720	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000673716608	1073655209	/nfs/dbraw/zinc/65/52/09/1073655209.db2.gz	XLGQYGJEUFUXCE-PZJWPPBQSA-N	1	1	408.550	1.720	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NC)C1	ZINC001545674759	1073662778	/nfs/dbraw/zinc/66/27/78/1073662778.db2.gz	KYSOIMYEWVYMMI-PKOBYXMFSA-N	1	1	413.570	1.957	20	0		HDADMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CNC(=O)Nc3ccccc3)c2)CC1	ZINC000673752214	1073684990	/nfs/dbraw/zinc/68/49/90/1073684990.db2.gz	OGSFHCSHXOTSSX-UHFFFAOYSA-N	1	1	409.490	1.763	20	0		HDADMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1	ZINC000509135745	1073700146	/nfs/dbraw/zinc/70/01/46/1073700146.db2.gz	GVWHAVDIZFTXTL-IBGZPJMESA-N	1	1	409.552	1.354	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3cnn(Cc4ccccn4)c3)CC2)CC1	ZINC000673765431	1073709750	/nfs/dbraw/zinc/70/97/50/1073709750.db2.gz	RCMXMRCKWNCXAU-UHFFFAOYSA-N	1	1	411.510	1.344	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)C2CCCC2)c(=O)[nH]c1=O	ZINC000429134221	1073738964	/nfs/dbraw/zinc/73/89/64/1073738964.db2.gz	JMYDUAATBUZTKR-HOCLYGCPSA-N	1	1	421.542	1.452	20	0		HDADMO
CCCCn1c(N)c(N(C(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)C2CCCC2)c(=O)[nH]c1=O	ZINC000429134221	1073738971	/nfs/dbraw/zinc/73/89/71/1073738971.db2.gz	JMYDUAATBUZTKR-HOCLYGCPSA-N	1	1	421.542	1.452	20	0		HDADMO
O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000673810386	1073754712	/nfs/dbraw/zinc/75/47/12/1073754712.db2.gz	XVBAGOUDDYGIPR-SJLPKXTDSA-N	1	1	400.479	1.220	20	0		HDADMO
CCS(=O)(=O)N1CC(CNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1	ZINC000429141591	1073755914	/nfs/dbraw/zinc/75/59/14/1073755914.db2.gz	JYXGUAJRIOOXPQ-IBGZPJMESA-N	1	1	410.584	1.724	20	0		HDADMO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000673824580	1073768215	/nfs/dbraw/zinc/76/82/15/1073768215.db2.gz	NOLTZFUIQUBFPQ-KRWDZBQOSA-N	1	1	412.519	1.947	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000673824580	1073768217	/nfs/dbraw/zinc/76/82/17/1073768217.db2.gz	NOLTZFUIQUBFPQ-KRWDZBQOSA-N	1	1	412.519	1.947	20	0		HDADMO
Cn1c2ncn(CC[N@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)c2c(=O)n(C)c1=O	ZINC000429156150	1073802486	/nfs/dbraw/zinc/80/24/86/1073802486.db2.gz	DVXXQMCWAYECQE-HNNXBMFYSA-N	1	1	419.938	1.954	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000509161231	1073805957	/nfs/dbraw/zinc/80/59/57/1073805957.db2.gz	ARQBUZGEPFBMIE-ZCNNSNEGSA-N	1	1	421.563	1.496	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(OC[C@H]2CCCO2)c1	ZINC000466548071	1073851348	/nfs/dbraw/zinc/85/13/48/1073851348.db2.gz	KYWCQJAGRDGIOS-AZUAARDMSA-N	1	1	404.555	1.988	20	0		HDADMO
CN(C)c1nc(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cs1	ZINC000673887890	1073860426	/nfs/dbraw/zinc/86/04/26/1073860426.db2.gz	WHGZRMCFXUPFJI-UHFFFAOYSA-N	1	1	417.535	1.339	20	0		HDADMO
O=C(Nc1cccc(CN2CCCC2=O)c1)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000673890996	1073864449	/nfs/dbraw/zinc/86/44/49/1073864449.db2.gz	IGCPTWWPQLPNDD-UHFFFAOYSA-N	1	1	414.506	1.071	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@@H](N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2=O)c1	ZINC000673914915	1073886626	/nfs/dbraw/zinc/88/66/26/1073886626.db2.gz	GXTXTSDMYXWIQE-LAUBAEHRSA-N	1	1	402.539	1.521	20	0		HDADMO
Cc1c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000673935789	1073908403	/nfs/dbraw/zinc/90/84/03/1073908403.db2.gz	STWPMLPTSISQIT-RBBKRZOGSA-N	1	1	403.486	1.952	20	0		HDADMO
CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1	ZINC000140786154	1073924592	/nfs/dbraw/zinc/92/45/92/1073924592.db2.gz	LTXQZVTUCHVJNL-KRWDZBQOSA-N	1	1	418.542	1.362	20	0		HDADMO
C[C@H]1C[C@@H](O)CC[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000429169791	1073927798	/nfs/dbraw/zinc/92/77/98/1073927798.db2.gz	VFSYETCAGMBEND-STQMWFEESA-N	1	1	403.932	1.764	20	0		HDADMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1	ZINC000429176183	1073952011	/nfs/dbraw/zinc/95/20/11/1073952011.db2.gz	MURUVHWDHGVJJP-KDURUIRLSA-N	1	1	415.586	1.645	20	0		HDADMO
C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1nc(-c2ccccc2)cs1	ZINC000543516191	1073954575	/nfs/dbraw/zinc/95/45/75/1073954575.db2.gz	VDMBMNUYYRTHPK-MRXNPFEDSA-N	1	1	415.563	1.693	20	0		HDADMO
Cc1c([C@H](C)[NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)cnn1C	ZINC000543517487	1073966414	/nfs/dbraw/zinc/96/64/14/1073966414.db2.gz	BVBBFHRBPLVAIV-NSHDSACASA-N	1	1	408.300	1.897	20	0		HDADMO
Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1	ZINC000543520937	1073987775	/nfs/dbraw/zinc/98/77/75/1073987775.db2.gz	UAWYUNHERWVPHK-MRXNPFEDSA-N	1	1	424.505	1.351	20	0		HDADMO
C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C(=O)N3CCO[C@@H](C)C3)cc2)C[C@H]1C	ZINC000670443935	1073990305	/nfs/dbraw/zinc/99/03/05/1073990305.db2.gz	WXAXEJWITSCBCD-OTWHNJEPSA-N	1	1	417.550	1.559	20	0		HDADMO
C[NH+]1CCN([C@H](C(=O)NCc2nc(CN3CCCCC3)no2)c2ccccc2)CC1	ZINC000670445813	1073996905	/nfs/dbraw/zinc/99/69/05/1073996905.db2.gz	SKPYHCURERRWOI-NRFANRHFSA-N	1	1	412.538	1.660	20	0		HDADMO
CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1	ZINC000670446812	1074007492	/nfs/dbraw/zinc/00/74/92/1074007492.db2.gz	SIHONIDBJYUEDD-IBGZPJMESA-N	1	1	420.579	1.227	20	0		HDADMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)C1	ZINC000543531087	1074022842	/nfs/dbraw/zinc/02/28/42/1074022842.db2.gz	HECQORTUDIJZQB-OAHLLOKOSA-N	1	1	412.494	1.066	20	0		HDADMO
C[C@H](CNC(=O)C(=O)Nc1cccnc1N1CCCCC1)CN1CC[NH+](C)CC1	ZINC000509191868	1074026548	/nfs/dbraw/zinc/02/65/48/1074026548.db2.gz	MOBYTNGCTDQEEH-QGZVFWFLSA-N	1	1	402.543	1.010	20	0		HDADMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCC2CCS(=O)(=O)CC2)[C@@H](C)C1	ZINC000509193880	1074040177	/nfs/dbraw/zinc/04/01/77/1074040177.db2.gz	FSWPHXCUJFYUBU-FUHWJXTLSA-N	1	1	403.589	1.638	20	0		HDADMO
O=S(=O)(N1CCOCC1)N1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1	ZINC000674005704	1074043147	/nfs/dbraw/zinc/04/31/47/1074043147.db2.gz	HTLSGQADEHPCII-UHFFFAOYSA-N	1	1	421.485	1.833	20	0		HDADMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)CC2	ZINC000466599396	1074062070	/nfs/dbraw/zinc/06/20/70/1074062070.db2.gz	UVXLHLWOLAELDZ-ZWKOTPCHSA-N	1	1	418.538	1.795	20	0		HDADMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)CC2	ZINC000466599396	1074062077	/nfs/dbraw/zinc/06/20/77/1074062077.db2.gz	UVXLHLWOLAELDZ-ZWKOTPCHSA-N	1	1	418.538	1.795	20	0		HDADMO
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000228950864	1074065081	/nfs/dbraw/zinc/06/50/81/1074065081.db2.gz	ZZVKZGZMBGYQFZ-AEFFLSMTSA-N	1	1	406.502	1.284	20	0		HDADMO
O=C(COc1ccccc1NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCOCC1	ZINC000674026122	1074093307	/nfs/dbraw/zinc/09/33/07/1074093307.db2.gz	SXDPDNFUTQRYAU-KRWDZBQOSA-N	1	1	402.495	1.530	20	0		HDADMO
O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc2c1OCO2	ZINC000509203843	1074098242	/nfs/dbraw/zinc/09/82/42/1074098242.db2.gz	AZCHVSTXMXTELC-IAGOWNOFSA-N	1	1	404.488	1.577	20	0		HDADMO
O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc2c1OCO2	ZINC000509203843	1074098250	/nfs/dbraw/zinc/09/82/50/1074098250.db2.gz	AZCHVSTXMXTELC-IAGOWNOFSA-N	1	1	404.488	1.577	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000509205719	1074099651	/nfs/dbraw/zinc/09/96/51/1074099651.db2.gz	NNBRYXQFTKWAPJ-CRAIPNDOSA-N	1	1	415.581	1.432	20	0		HDADMO
CCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)C1	ZINC000674041017	1074124217	/nfs/dbraw/zinc/12/42/17/1074124217.db2.gz	ZSAZYXWNLSFFCS-QGZVFWFLSA-N	1	1	416.522	1.288	20	0		HDADMO
CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1	ZINC000543570514	1074130087	/nfs/dbraw/zinc/13/00/87/1074130087.db2.gz	BFZGSGYXHLMHRT-UHFFFAOYSA-N	1	1	400.523	1.683	20	0		HDADMO
CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccnn2C2CCCC2)CC1	ZINC000164639264	1074148624	/nfs/dbraw/zinc/14/86/24/1074148624.db2.gz	NXHIQRUKORTREZ-UHFFFAOYSA-N	1	1	404.559	1.813	20	0		HDADMO
CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)Nc2ccnn2C2CCCC2)CC1	ZINC000164639264	1074148628	/nfs/dbraw/zinc/14/86/28/1074148628.db2.gz	NXHIQRUKORTREZ-UHFFFAOYSA-N	1	1	404.559	1.813	20	0		HDADMO
O=C(NC[C@@H]1CS(=O)(=O)CCO1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000509214028	1074152477	/nfs/dbraw/zinc/15/24/77/1074152477.db2.gz	WWMUCYUFGFWNRH-LSDHHAIUSA-N	1	1	401.554	1.073	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCc4nn(C)c(=O)cc4C3)cc2)CC1	ZINC000674057446	1074174941	/nfs/dbraw/zinc/17/49/41/1074174941.db2.gz	OWQFZBJDUUZFRX-UHFFFAOYSA-N	1	1	424.505	1.148	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)C1	ZINC000674091740	1074180537	/nfs/dbraw/zinc/18/05/37/1074180537.db2.gz	VJFGGRCFPOYGSI-FXAWDEMLSA-N	1	1	404.486	1.581	20	0		HDADMO
Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1	ZINC000509219316	1074191716	/nfs/dbraw/zinc/19/17/16/1074191716.db2.gz	TUPZBROKRROPEY-OAQYLSRUSA-N	1	1	400.567	1.591	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCO)[C@H]1CCCc2ccccc21	ZINC000674160209	1074196584	/nfs/dbraw/zinc/19/65/84/1074196584.db2.gz	RWLKSMPHOSTRSE-IRLDBZIGSA-N	1	1	416.566	1.474	20	0		HDADMO
CC[C@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1nnc2n1CCCCC2	ZINC000674169248	1074201533	/nfs/dbraw/zinc/20/15/33/1074201533.db2.gz	PHHZSAYJOMAIPE-MSOLQXFVSA-N	1	1	403.575	1.877	20	0		HDADMO
O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000674217749	1074229851	/nfs/dbraw/zinc/22/98/51/1074229851.db2.gz	HEOQPSSEGRVVEW-PKOBYXMFSA-N	1	1	409.490	1.292	20	0		HDADMO
CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCc3ccccc3)nc2)CC1	ZINC000674222227	1074232857	/nfs/dbraw/zinc/23/28/57/1074232857.db2.gz	LIWVCKKWCPTASJ-LJQANCHMSA-N	1	1	412.490	1.514	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1	ZINC000674224727	1074233150	/nfs/dbraw/zinc/23/31/50/1074233150.db2.gz	HJIYYCQPMLLPCN-UWJYYQICSA-N	1	1	422.529	1.940	20	0		HDADMO
O=C(Nc1cccnc1Oc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000674229384	1074235828	/nfs/dbraw/zinc/23/58/28/1074235828.db2.gz	KKGWWOPXXPADQC-QGZVFWFLSA-N	1	1	410.474	1.993	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1	ZINC000140173146	1074245945	/nfs/dbraw/zinc/24/59/45/1074245945.db2.gz	UPOXGLSDYWZLSQ-QZTJIDSGSA-N	1	1	414.510	1.158	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1	ZINC000140173146	1074245951	/nfs/dbraw/zinc/24/59/51/1074245951.db2.gz	UPOXGLSDYWZLSQ-QZTJIDSGSA-N	1	1	414.510	1.158	20	0		HDADMO
CSc1ccncc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000674272870	1074252695	/nfs/dbraw/zinc/25/26/95/1074252695.db2.gz	JEKYCKNHVLLMHV-HXUWFJFHSA-N	1	1	400.504	1.495	20	0		HDADMO
CNS(=O)(=O)c1ccc(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1	ZINC000674282778	1074255271	/nfs/dbraw/zinc/25/52/71/1074255271.db2.gz	MSGUUECISFMVSC-UHFFFAOYSA-N	1	1	418.523	1.792	20	0		HDADMO
CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1	ZINC000674292895	1074257440	/nfs/dbraw/zinc/25/74/40/1074257440.db2.gz	VWUVEPNDPXIBDL-FQEVSTJZSA-N	1	1	415.582	1.545	20	0		HDADMO
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000674299051	1074262796	/nfs/dbraw/zinc/26/27/96/1074262796.db2.gz	FZNWVNNBFKHVQC-ZWKOTPCHSA-N	1	1	406.914	1.952	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)C[N@H+]1C1CC1	ZINC000674300622	1074264161	/nfs/dbraw/zinc/26/41/61/1074264161.db2.gz	LYSIQQBDQDPFRQ-QFBILLFUSA-N	1	1	415.534	1.740	20	0		HDADMO
CCN(C(=O)C[N@@H+](C)C(C)(C)COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000429226384	1074269558	/nfs/dbraw/zinc/26/95/58/1074269558.db2.gz	KOZCONUCJHZBEM-UHFFFAOYSA-N	1	1	417.510	1.289	20	0		HDADMO
COc1nc(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)ncc1Br	ZINC000674329095	1074277904	/nfs/dbraw/zinc/27/79/04/1074277904.db2.gz	WVMXERQUSATNFB-LBPRGKRZSA-N	1	1	413.320	1.174	20	0		HDADMO
CCN1CCN(C(=O)Cc2ccc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1	ZINC000674318910	1074279941	/nfs/dbraw/zinc/27/99/41/1074279941.db2.gz	KVWOJEFYFPWVFH-NRFANRHFSA-N	1	1	413.566	1.999	20	0		HDADMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCOC[C@H]3CCOC3)cc2)CC1	ZINC000674319694	1074281436	/nfs/dbraw/zinc/28/14/36/1074281436.db2.gz	OKTDQOXDDSGUDG-IBGZPJMESA-N	1	1	418.538	1.568	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1	ZINC000674333563	1074287618	/nfs/dbraw/zinc/28/76/18/1074287618.db2.gz	XWBFDJFMQZIRKK-NZSAHSFTSA-N	1	1	408.568	1.763	20	0		HDADMO
COc1ccc(C(=O)CCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1F	ZINC000674358770	1074291248	/nfs/dbraw/zinc/29/12/48/1074291248.db2.gz	RLOWRZYAQRBZRG-KRWDZBQOSA-N	1	1	405.470	1.738	20	0		HDADMO
Cc1c(C(=O)N2CCC(c3nnc[nH]3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674364790	1074294672	/nfs/dbraw/zinc/29/46/72/1074294672.db2.gz	UANPONJNBFQXCC-UHFFFAOYSA-N	1	1	406.494	1.702	20	0		HDADMO
Cc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000674364790	1074294675	/nfs/dbraw/zinc/29/46/75/1074294675.db2.gz	UANPONJNBFQXCC-UHFFFAOYSA-N	1	1	406.494	1.702	20	0		HDADMO
Cc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674364790	1074294681	/nfs/dbraw/zinc/29/46/81/1074294681.db2.gz	UANPONJNBFQXCC-UHFFFAOYSA-N	1	1	406.494	1.702	20	0		HDADMO
CC(C)CN(C(=O)C[NH2+][C@@H](Cn1cccn1)c1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000674372342	1074299958	/nfs/dbraw/zinc/29/99/58/1074299958.db2.gz	ZQCCSKVTGSMYSK-PMACEKPBSA-N	1	1	418.563	1.886	20	0		HDADMO
C[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[N@@H+]1CCc2sccc2C1	ZINC000674423680	1074327250	/nfs/dbraw/zinc/32/72/50/1074327250.db2.gz	AJAHGAOEANUNTC-CQSZACIVSA-N	1	1	400.570	1.172	20	0		HDADMO
C[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[N@H+]1CCc2sccc2C1	ZINC000674423680	1074327255	/nfs/dbraw/zinc/32/72/55/1074327255.db2.gz	AJAHGAOEANUNTC-CQSZACIVSA-N	1	1	400.570	1.172	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1	ZINC000674438403	1074337135	/nfs/dbraw/zinc/33/71/35/1074337135.db2.gz	IEWGOMBNQLTRKT-AVRDEDQJSA-N	1	1	413.522	1.543	20	0		HDADMO
C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CCN1CCCS1(=O)=O	ZINC000674463767	1074355600	/nfs/dbraw/zinc/35/56/00/1074355600.db2.gz	RTGLINXSOCHGNX-UHFFFAOYSA-N	1	1	408.524	1.109	20	0		HDADMO
COc1cc(CNC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1OCc1ccccc1	ZINC000674466302	1074356191	/nfs/dbraw/zinc/35/61/91/1074356191.db2.gz	ZSRKUVZYWQNMPU-KDURUIRLSA-N	1	1	400.475	1.318	20	0		HDADMO
COc1cc(CNC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)ccc1OCc1ccccc1	ZINC000674466302	1074356198	/nfs/dbraw/zinc/35/61/98/1074356198.db2.gz	ZSRKUVZYWQNMPU-KDURUIRLSA-N	1	1	400.475	1.318	20	0		HDADMO
COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000674466670	1074365179	/nfs/dbraw/zinc/36/51/79/1074365179.db2.gz	MPWYPVANCNSKOD-KRWDZBQOSA-N	1	1	411.524	1.065	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000674466670	1074365190	/nfs/dbraw/zinc/36/51/90/1074365190.db2.gz	MPWYPVANCNSKOD-KRWDZBQOSA-N	1	1	411.524	1.065	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1	ZINC000674468177	1074365756	/nfs/dbraw/zinc/36/57/56/1074365756.db2.gz	ATUQHZYPRMDVRO-LJQANCHMSA-N	1	1	405.539	1.767	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1	ZINC000674468175	1074365941	/nfs/dbraw/zinc/36/59/41/1074365941.db2.gz	ATUQHZYPRMDVRO-IBGZPJMESA-N	1	1	405.539	1.767	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@@H]3COC)cc2)CC1	ZINC000674477753	1074375294	/nfs/dbraw/zinc/37/52/94/1074375294.db2.gz	IWRZFFXQLFJLFP-GOSISDBHSA-N	1	1	402.495	1.040	20	0		HDADMO
COC[C@@H]1CCC[N@@H+]1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674499715	1074393270	/nfs/dbraw/zinc/39/32/70/1074393270.db2.gz	FHAKYGVYENNCLN-HNNXBMFYSA-N	1	1	409.531	1.287	20	0		HDADMO
COC[C@@H]1CCC[N@H+]1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674499715	1074393280	/nfs/dbraw/zinc/39/32/80/1074393280.db2.gz	FHAKYGVYENNCLN-HNNXBMFYSA-N	1	1	409.531	1.287	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@H](O)c1cccc(Br)c1	ZINC001626099909	1074408710	/nfs/dbraw/zinc/40/87/10/1074408710.db2.gz	CJOANOKODBYCDT-MRXNPFEDSA-N	1	1	413.312	1.480	20	0		HDADMO
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC001128735689	1074410605	/nfs/dbraw/zinc/41/06/05/1074410605.db2.gz	HJFOSUYDSHZOCR-FBVQUNGASA-N	1	1	408.587	1.763	20	0		HDADMO
C[C@@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674514709	1074411808	/nfs/dbraw/zinc/41/18/08/1074411808.db2.gz	WAFCSOGVHAKDFT-IEBWSBKVSA-N	1	1	423.579	1.754	20	0		HDADMO
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)C[C@H]2C)CC1	ZINC000674539564	1074429136	/nfs/dbraw/zinc/42/91/36/1074429136.db2.gz	RLTYBBZBPWDIRD-BPQIPLTHSA-N	1	1	418.563	1.364	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O	ZINC000674583198	1074448566	/nfs/dbraw/zinc/44/85/66/1074448566.db2.gz	JPLKPXQSAWFEET-YVHKJVDXSA-N	1	1	416.497	1.874	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O	ZINC000674584609	1074466318	/nfs/dbraw/zinc/46/63/18/1074466318.db2.gz	SMHUWMQYNSDCMH-HMFYCAOWSA-N	1	1	414.506	1.114	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O	ZINC000674584609	1074466323	/nfs/dbraw/zinc/46/63/23/1074466323.db2.gz	SMHUWMQYNSDCMH-HMFYCAOWSA-N	1	1	414.506	1.114	20	0		HDADMO
CC(C)([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1F	ZINC000429233842	1074477455	/nfs/dbraw/zinc/47/74/55/1074477455.db2.gz	APISTCHRXNQSSV-CVEARBPZSA-N	1	1	412.527	1.845	20	0		HDADMO
CCn1nc2c(cc1=O)CN(C(=O)NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)CC2	ZINC000674624715	1074491903	/nfs/dbraw/zinc/49/19/03/1074491903.db2.gz	ARHILKYNHDXSGV-LJQANCHMSA-N	1	1	409.534	1.896	20	0		HDADMO
C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1Oc2ccccc2[C@@H]1C	ZINC000674631749	1074496002	/nfs/dbraw/zinc/49/60/02/1074496002.db2.gz	URBSRGNNBHQRLI-LXGFNABISA-N	1	1	402.539	1.645	20	0		HDADMO
CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(=O)N1CCOCC1	ZINC000674647829	1074496608	/nfs/dbraw/zinc/49/66/08/1074496608.db2.gz	YHUCSBAJAHKNAC-FQEVSTJZSA-N	1	1	402.539	1.850	20	0		HDADMO
C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674672475	1074516590	/nfs/dbraw/zinc/51/65/90/1074516590.db2.gz	QMFVUVPVVAPNGJ-VGSWGCGISA-N	1	1	416.543	1.947	20	0		HDADMO
C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674668307	1074518588	/nfs/dbraw/zinc/51/85/88/1074518588.db2.gz	XPPNICPOZVMTCB-LPHOPBHVSA-N	1	1	407.580	1.821	20	0		HDADMO
C[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674668307	1074518594	/nfs/dbraw/zinc/51/85/94/1074518594.db2.gz	XPPNICPOZVMTCB-LPHOPBHVSA-N	1	1	407.580	1.821	20	0		HDADMO
C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000674667914	1074519359	/nfs/dbraw/zinc/51/93/59/1074519359.db2.gz	PPIHCTFWBCWTOL-MJGOQNOKSA-N	1	1	407.580	1.822	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(N2CCOCC2)c1	ZINC000674700021	1074528806	/nfs/dbraw/zinc/52/88/06/1074528806.db2.gz	ZYOCECSBTBBQQC-HXUWFJFHSA-N	1	1	415.582	1.799	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(N2CCOCC2)c1	ZINC000674700021	1074528811	/nfs/dbraw/zinc/52/88/11/1074528811.db2.gz	ZYOCECSBTBBQQC-HXUWFJFHSA-N	1	1	415.582	1.799	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+](CC)C(C)C)c1	ZINC000509235552	1074543241	/nfs/dbraw/zinc/54/32/41/1074543241.db2.gz	BVNDDNGDGDNPOS-UHFFFAOYSA-N	1	1	405.586	1.726	20	0		HDADMO
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000670482920	1074550486	/nfs/dbraw/zinc/55/04/86/1074550486.db2.gz	RQTZIPNCMYGVEL-GHTZIAJQSA-N	1	1	400.567	1.751	20	0		HDADMO
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000670482920	1074550493	/nfs/dbraw/zinc/55/04/93/1074550493.db2.gz	RQTZIPNCMYGVEL-GHTZIAJQSA-N	1	1	400.567	1.751	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)nn2)cc1	ZINC000674777599	1074552736	/nfs/dbraw/zinc/55/27/36/1074552736.db2.gz	BJRGEPGZVKIACY-INIZCTEOSA-N	1	1	413.526	1.244	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)nn2)cc1	ZINC000674777599	1074552744	/nfs/dbraw/zinc/55/27/44/1074552744.db2.gz	BJRGEPGZVKIACY-INIZCTEOSA-N	1	1	413.526	1.244	20	0		HDADMO
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000674808872	1074575385	/nfs/dbraw/zinc/57/53/85/1074575385.db2.gz	KYIYUBAQZQOOBX-SJORKVTESA-N	1	1	419.551	1.210	20	0		HDADMO
CN(CCOCC1CC1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674851217	1074592061	/nfs/dbraw/zinc/59/20/61/1074592061.db2.gz	UVNVQHVFDRNHBD-UHFFFAOYSA-N	1	1	417.554	1.787	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@H]([C@@H]4CCCO4)C3)CC2)cc1	ZINC000674913853	1074611896	/nfs/dbraw/zinc/61/18/96/1074611896.db2.gz	QWMJXFVJWQMVIA-VXKWHMMOSA-N	1	1	417.550	1.609	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1	ZINC000674918246	1074620494	/nfs/dbraw/zinc/62/04/94/1074620494.db2.gz	RVRJLUVBRBZVKP-PMACEKPBSA-N	1	1	416.522	1.164	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(OCCCO)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000674982414	1074658382	/nfs/dbraw/zinc/65/83/82/1074658382.db2.gz	CPMKLSOMYJZJES-WIYYLYMNSA-N	1	1	405.539	1.849	20	0		HDADMO
C[C@@H](NC(=O)N1CCC(OCCCO)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000674982414	1074658385	/nfs/dbraw/zinc/65/83/85/1074658385.db2.gz	CPMKLSOMYJZJES-WIYYLYMNSA-N	1	1	405.539	1.849	20	0		HDADMO
CC(C)c1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)no1	ZINC000564628396	1074661138	/nfs/dbraw/zinc/66/11/38/1074661138.db2.gz	RYRKDNGHCZTHDZ-AWEZNQCLSA-N	1	1	405.524	1.903	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1	ZINC000429312726	1074667287	/nfs/dbraw/zinc/66/72/87/1074667287.db2.gz	TUPFYLDVJXPPHI-HXUWFJFHSA-N	1	1	402.539	1.584	20	0		HDADMO
O=C(Cn1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1)N1CCOCC1	ZINC000469534949	1074689800	/nfs/dbraw/zinc/68/98/00/1074689800.db2.gz	GMYYGZJYIOQIHL-IBGZPJMESA-N	1	1	411.506	1.735	20	0		HDADMO
O=C(Cn1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1)N1CCOCC1	ZINC000469534949	1074689804	/nfs/dbraw/zinc/68/98/04/1074689804.db2.gz	GMYYGZJYIOQIHL-IBGZPJMESA-N	1	1	411.506	1.735	20	0		HDADMO
CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O	ZINC000675095521	1074707881	/nfs/dbraw/zinc/70/78/81/1074707881.db2.gz	QEWAQGVMYKXOOX-RBUKOAKNSA-N	1	1	413.522	1.577	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000675096878	1074708293	/nfs/dbraw/zinc/70/82/93/1074708293.db2.gz	DUKYJMOVUPPYCD-QMTHXVAHSA-N	1	1	405.829	1.393	20	0		HDADMO
C[C@@H](NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000675096878	1074708298	/nfs/dbraw/zinc/70/82/98/1074708298.db2.gz	DUKYJMOVUPPYCD-QMTHXVAHSA-N	1	1	405.829	1.393	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)NCc2nc3ccccc3n2CC)CC[N@@H+]1CCOC	ZINC000785475502	1074710224	/nfs/dbraw/zinc/71/02/24/1074710224.db2.gz	VQFIWMWTYPCITR-QGZVFWFLSA-N	1	1	415.538	1.632	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)NCc2nc3ccccc3n2CC)CC[N@H+]1CCOC	ZINC000785475502	1074710235	/nfs/dbraw/zinc/71/02/35/1074710235.db2.gz	VQFIWMWTYPCITR-QGZVFWFLSA-N	1	1	415.538	1.632	20	0		HDADMO
O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1ccn(-c2ccccc2Cl)n1	ZINC000490467173	1074722124	/nfs/dbraw/zinc/72/21/24/1074722124.db2.gz	AFFKCASUTOCHOF-HNNXBMFYSA-N	1	1	419.913	1.817	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3COc4c3cccc4Cl)CC2)CC1	ZINC000675123100	1074724957	/nfs/dbraw/zinc/72/49/57/1074724957.db2.gz	JSPXMVWQWRDVSN-KRWDZBQOSA-N	1	1	406.914	1.969	20	0		HDADMO
Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1N1CCOC1=O	ZINC000766091796	1074726664	/nfs/dbraw/zinc/72/66/64/1074726664.db2.gz	PFRWRGJJEBMLNL-KRWDZBQOSA-N	1	1	415.494	1.722	20	0		HDADMO
COc1ccc(C(C)(C)C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1OC	ZINC000675137030	1074728632	/nfs/dbraw/zinc/72/86/32/1074728632.db2.gz	MLDMQJORJQFBQW-KRWDZBQOSA-N	1	1	403.523	1.922	20	0		HDADMO
O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	ZINC000766092587	1074733314	/nfs/dbraw/zinc/73/33/14/1074733314.db2.gz	BPZXORANZSXTJJ-LLVKDONJSA-N	1	1	404.383	1.421	20	0		HDADMO
Cc1cnn(-c2ccc(S(=O)(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc2F)c1	ZINC000675130677	1074736286	/nfs/dbraw/zinc/73/62/86/1074736286.db2.gz	RSPIKQNQKJFMBB-QGZVFWFLSA-N	1	1	421.542	1.720	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1	ZINC000675141128	1074740528	/nfs/dbraw/zinc/74/05/28/1074740528.db2.gz	KIBVVWYKOBIXMF-HDICACEKSA-N	1	1	417.554	1.569	20	0		HDADMO
Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)C2=O)cc1	ZINC000675189542	1074752589	/nfs/dbraw/zinc/75/25/89/1074752589.db2.gz	PHGJYWZLRPWLIC-OALUTQOASA-N	1	1	400.523	1.011	20	0		HDADMO
Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)C2=O)cc1	ZINC000675189542	1074752599	/nfs/dbraw/zinc/75/25/99/1074752599.db2.gz	PHGJYWZLRPWLIC-OALUTQOASA-N	1	1	400.523	1.011	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C[NH+]1CCOCC1	ZINC000670496265	1074753518	/nfs/dbraw/zinc/75/35/18/1074753518.db2.gz	KDUJCVMDRAAUOF-ZDUSSCGKSA-N	1	1	402.322	1.737	20	0		HDADMO
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000675218932	1074760657	/nfs/dbraw/zinc/76/06/57/1074760657.db2.gz	MIFJHAODFPQOQV-OAHLLOKOSA-N	1	1	416.547	1.660	20	0		HDADMO
Cn1nc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c2ccccc21	ZINC000429323927	1074767541	/nfs/dbraw/zinc/76/75/41/1074767541.db2.gz	CABQWDHMXPJURH-GOSISDBHSA-N	1	1	406.486	1.954	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cn2c[nH+]c3c2CCCC3)cc1	ZINC000543617833	1074770040	/nfs/dbraw/zinc/77/00/40/1074770040.db2.gz	GLZRMFWHWXPCKG-UHFFFAOYSA-N	1	1	404.536	1.906	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2=O)cc1	ZINC000766100149	1074770436	/nfs/dbraw/zinc/77/04/36/1074770436.db2.gz	YLVRRHZUCGASTO-REDKUUPNSA-N	1	1	414.506	1.405	20	0		HDADMO
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2=O)cc1	ZINC000766100148	1074770618	/nfs/dbraw/zinc/77/06/18/1074770618.db2.gz	YLVRRHZUCGASTO-QRFQSNJMSA-N	1	1	414.506	1.405	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3C=CCCC3)c2)CC1	ZINC000466670343	1074794033	/nfs/dbraw/zinc/79/40/33/1074794033.db2.gz	JBOSJTDSWYHRHF-MRXNPFEDSA-N	1	1	420.535	1.176	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3C=CCCC3)c2)CC1	ZINC000466670343	1074794036	/nfs/dbraw/zinc/79/40/36/1074794036.db2.gz	JBOSJTDSWYHRHF-MRXNPFEDSA-N	1	1	420.535	1.176	20	0		HDADMO
O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCC[NH+]1Cc2ccccc2C1	ZINC000675307860	1074796615	/nfs/dbraw/zinc/79/66/15/1074796615.db2.gz	WIVLNYINBLNICW-UHFFFAOYSA-N	1	1	401.488	1.127	20	0		HDADMO
C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000675317518	1074797759	/nfs/dbraw/zinc/79/77/59/1074797759.db2.gz	LWHRJBFJZFFQPX-UXPWSPDFSA-N	1	1	402.539	1.998	20	0		HDADMO
COc1cc2ncn(CCCC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(=O)c2cc1OC	ZINC001128982723	1074805496	/nfs/dbraw/zinc/80/54/96/1074805496.db2.gz	PMYWHNYMOVUFIB-MQVJKMGUSA-N	1	1	414.506	1.935	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@H]21	ZINC000766108693	1074813068	/nfs/dbraw/zinc/81/30/68/1074813068.db2.gz	KWERAVGLVFJLBA-IAQYHMDHSA-N	1	1	416.341	1.653	20	0		HDADMO
C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1	ZINC000675363743	1074814017	/nfs/dbraw/zinc/81/40/17/1074814017.db2.gz	PLGLBRNLBSHIFL-XHDPSFHLSA-N	1	1	413.305	1.425	20	0		HDADMO
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429333368	1074819600	/nfs/dbraw/zinc/81/96/00/1074819600.db2.gz	YTAXDWBRRSJGAZ-MSOLQXFVSA-N	1	1	411.568	1.358	20	0		HDADMO
COc1cc(NC(=O)CC[NH+]2CCC(CS(C)(=O)=O)CC2)cc(OC)c1OC	ZINC000429247197	1075092497	/nfs/dbraw/zinc/09/24/97/1075092497.db2.gz	VJIKMLIHNFFWCA-UHFFFAOYSA-N	1	1	414.524	1.798	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cccc(C(F)(F)F)c3)CC2)C1	ZINC000670506232	1075093720	/nfs/dbraw/zinc/09/37/20/1075093720.db2.gz	MCOKGFIHLABALX-KRWDZBQOSA-N	1	1	412.456	1.560	20	0		HDADMO
CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nn1	ZINC000429334681	1075100181	/nfs/dbraw/zinc/10/01/81/1075100181.db2.gz	UPKBAKJDMHADPG-GOSISDBHSA-N	1	1	413.522	1.914	20	0		HDADMO
CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nn1	ZINC000429334685	1075100195	/nfs/dbraw/zinc/10/01/95/1075100195.db2.gz	UPKBAKJDMHADPG-SFHVURJKSA-N	1	1	413.522	1.914	20	0		HDADMO
CN(C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CC[N@H+](C2CC2)C1	ZINC000675379830	1075119223	/nfs/dbraw/zinc/11/92/23/1075119223.db2.gz	QRNSAMFAKXGBSJ-WMLDXEAASA-N	1	1	422.888	1.396	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)C1	ZINC000675394643	1075124985	/nfs/dbraw/zinc/12/49/85/1075124985.db2.gz	KHOWTXJCFRCOKD-MJGOQNOKSA-N	1	1	413.522	1.904	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@H+]1Cc1ccccc1	ZINC000466676531	1075129667	/nfs/dbraw/zinc/12/96/67/1075129667.db2.gz	AYWZQJJLUYTNEZ-QAPCUYQASA-N	1	1	405.462	1.380	20	0		HDADMO
COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1	ZINC000441673125	1075147980	/nfs/dbraw/zinc/14/79/80/1075147980.db2.gz	RYZGWONPVSRYJT-HNNXBMFYSA-N	1	1	410.478	2.230	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC(c2ccccn2)CC1	ZINC000670526807	1075148959	/nfs/dbraw/zinc/14/89/59/1075148959.db2.gz	OJVFOIRWOJDSHQ-UHFFFAOYSA-N	1	1	414.550	1.939	20	0		HDADMO
Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)cc1F	ZINC000675458380	1075156164	/nfs/dbraw/zinc/15/61/64/1075156164.db2.gz	IOESLWHHWAVIIC-OAHLLOKOSA-N	1	1	403.907	1.890	20	0		HDADMO
Cc1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)cc1F	ZINC000675458380	1075156167	/nfs/dbraw/zinc/15/61/67/1075156167.db2.gz	IOESLWHHWAVIIC-OAHLLOKOSA-N	1	1	403.907	1.890	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC[N@@H+]1CCOC	ZINC000535749235	1075161818	/nfs/dbraw/zinc/16/18/18/1075161818.db2.gz	WNFOAKLXCTUKMH-IBGZPJMESA-N	1	1	413.522	1.829	20	0		HDADMO
CCC[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC[N@H+]1CCOC	ZINC000535749235	1075161820	/nfs/dbraw/zinc/16/18/20/1075161820.db2.gz	WNFOAKLXCTUKMH-IBGZPJMESA-N	1	1	413.522	1.829	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)C1	ZINC000675461535	1075163369	/nfs/dbraw/zinc/16/33/69/1075163369.db2.gz	NJUIJAOIBOHWSI-HNNXBMFYSA-N	1	1	406.552	1.317	20	0		HDADMO
O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)NCCc1cnn(-c2ccccc2)c1	ZINC000042566493	1075164378	/nfs/dbraw/zinc/16/43/78/1075164378.db2.gz	SIQKZAFBXHBESO-UHFFFAOYSA-N	1	1	409.534	1.865	20	0		HDADMO
COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1	ZINC000499200258	1075164812	/nfs/dbraw/zinc/16/48/12/1075164812.db2.gz	BKWMDYYAWMCUCN-UHFFFAOYSA-N	1	1	405.543	1.755	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C[N@H+]1Cc1ccccc1	ZINC000466681210	1075169053	/nfs/dbraw/zinc/16/90/53/1075169053.db2.gz	NKMOLSVPNWLZKT-WBVHZDCISA-N	1	1	405.462	1.380	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1	ZINC000675481431	1075171421	/nfs/dbraw/zinc/17/14/21/1075171421.db2.gz	FCYPARRWHKUXMQ-OAHLLOKOSA-N	1	1	415.460	1.947	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1	ZINC000675481431	1075171423	/nfs/dbraw/zinc/17/14/23/1075171423.db2.gz	FCYPARRWHKUXMQ-OAHLLOKOSA-N	1	1	415.460	1.947	20	0		HDADMO
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429352409	1075171398	/nfs/dbraw/zinc/17/13/98/1075171398.db2.gz	WKKYKNYKJJAJBW-UHOSZYNNSA-N	1	1	411.568	1.358	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cn(-c2ccccc2)nn1	ZINC000675486252	1075173047	/nfs/dbraw/zinc/17/30/47/1075173047.db2.gz	XMJWOYJPSOUOSA-QZTJIDSGSA-N	1	1	413.526	1.034	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000448489045	1075173969	/nfs/dbraw/zinc/17/39/69/1075173969.db2.gz	VOSNIKKLVHRGHD-UHFFFAOYSA-N	1	1	409.412	2.118	20	0		HDADMO
CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)c1	ZINC000675500295	1075180353	/nfs/dbraw/zinc/18/03/53/1075180353.db2.gz	KSXLWFVUJPCFRV-QHCPKHFHSA-N	1	1	417.550	1.943	20	0		HDADMO
Cc1c(C(=O)NC[C@H](CO)Cc2ccco2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000675515803	1075181446	/nfs/dbraw/zinc/18/14/46/1075181446.db2.gz	ADNBCAGIYWSDSN-MRXNPFEDSA-N	1	1	409.490	1.738	20	0		HDADMO
COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000675518859	1075184660	/nfs/dbraw/zinc/18/46/60/1075184660.db2.gz	DJVNJLSTOXLWJQ-UHFFFAOYSA-N	1	1	418.538	1.554	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)no1	ZINC000675519875	1075184933	/nfs/dbraw/zinc/18/49/33/1075184933.db2.gz	NKDBTLCXWVVVNP-ZWKOTPCHSA-N	1	1	400.479	1.971	20	0		HDADMO
CCc1cc(NC(=O)C(=O)N[C@@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1	ZINC000675519875	1075184938	/nfs/dbraw/zinc/18/49/38/1075184938.db2.gz	NKDBTLCXWVVVNP-ZWKOTPCHSA-N	1	1	400.479	1.971	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC(NC(C)=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500796	1075185486	/nfs/dbraw/zinc/18/54/86/1075185486.db2.gz	LTSFRVHNQLNHAO-RTWAWAEBSA-N	1	1	402.539	1.976	20	0		HDADMO
CC[C@@H](NC(=O)N1CCC(NC(C)=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500796	1075185491	/nfs/dbraw/zinc/18/54/91/1075185491.db2.gz	LTSFRVHNQLNHAO-RTWAWAEBSA-N	1	1	402.539	1.976	20	0		HDADMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1	ZINC000675532358	1075192514	/nfs/dbraw/zinc/19/25/14/1075192514.db2.gz	NFCROZSLOOJMLP-QGZVFWFLSA-N	1	1	421.973	1.972	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1Cc1ccccc1	ZINC000466685139	1075201477	/nfs/dbraw/zinc/20/14/77/1075201477.db2.gz	WBEOGFZTYONOPX-CRAIPNDOSA-N	1	1	415.515	1.808	20	0		HDADMO
O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000504523594	1075201740	/nfs/dbraw/zinc/20/17/40/1075201740.db2.gz	FPVWIQXTBJGMGI-UHFFFAOYSA-N	1	1	418.501	1.999	20	0		HDADMO
CN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675577138	1075210051	/nfs/dbraw/zinc/21/00/51/1075210051.db2.gz	XDWVVQPGINOLOW-YADHBBJMSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1	ZINC000675577138	1075210053	/nfs/dbraw/zinc/21/00/53/1075210053.db2.gz	XDWVVQPGINOLOW-YADHBBJMSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000675577138	1075210060	/nfs/dbraw/zinc/21/00/60/1075210060.db2.gz	XDWVVQPGINOLOW-YADHBBJMSA-N	1	1	415.582	1.309	20	0		HDADMO
CN(C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000675577138	1075210062	/nfs/dbraw/zinc/21/00/62/1075210062.db2.gz	XDWVVQPGINOLOW-YADHBBJMSA-N	1	1	415.582	1.309	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000804219397	1075213644	/nfs/dbraw/zinc/21/36/44/1075213644.db2.gz	XDFQUHULMVXJDR-HRAATJIYSA-N	1	1	410.559	1.692	20	0		HDADMO
CCC(=O)N1CC[C@H](NC(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)C1	ZINC000675567620	1075218218	/nfs/dbraw/zinc/21/82/18/1075218218.db2.gz	NEOPBPNCOGXWOJ-SFHVURJKSA-N	1	1	401.511	1.597	20	0		HDADMO
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC[N@H+]2CCCOCC2)nc1	ZINC000445664021	1075220057	/nfs/dbraw/zinc/22/00/57/1075220057.db2.gz	JLAKKPNVYFPBQH-UHFFFAOYSA-N	1	1	404.536	2.431	20	0		HDADMO
CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675606189	1075222247	/nfs/dbraw/zinc/22/22/47/1075222247.db2.gz	YBBPFZJNBMCJFT-HNNXBMFYSA-N	1	1	410.921	1.836	20	0		HDADMO
CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675606189	1075222249	/nfs/dbraw/zinc/22/22/49/1075222249.db2.gz	YBBPFZJNBMCJFT-HNNXBMFYSA-N	1	1	410.921	1.836	20	0		HDADMO
CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675606193	1075222310	/nfs/dbraw/zinc/22/23/10/1075222310.db2.gz	YBBPFZJNBMCJFT-OAHLLOKOSA-N	1	1	410.921	1.836	20	0		HDADMO
CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675606193	1075222312	/nfs/dbraw/zinc/22/23/12/1075222312.db2.gz	YBBPFZJNBMCJFT-OAHLLOKOSA-N	1	1	410.921	1.836	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)no1	ZINC000465362719	1075226000	/nfs/dbraw/zinc/22/60/00/1075226000.db2.gz	GPGPENHRWTXJIR-ZDUSSCGKSA-N	1	1	419.507	2.182	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	ZINC000490443546	1075229803	/nfs/dbraw/zinc/22/98/03/1075229803.db2.gz	KAUXYUYTAFRIMQ-LBPRGKRZSA-N	1	1	410.400	1.825	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(NC(=O)c2cccs2)cc1	ZINC000675594486	1075231552	/nfs/dbraw/zinc/23/15/52/1075231552.db2.gz	YDVUQRSFNRVGQR-UHFFFAOYSA-N	1	1	400.504	1.846	20	0		HDADMO
C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000675621864	1075242034	/nfs/dbraw/zinc/24/20/34/1075242034.db2.gz	QCFAAXKJNYPASE-DGCLKSJQSA-N	1	1	400.292	1.846	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1	ZINC000426704794	1075245977	/nfs/dbraw/zinc/24/59/77/1075245977.db2.gz	MJPKLGSEAUZYMZ-HKUYNNGSSA-N	1	1	413.522	1.710	20	0		HDADMO
NC(=O)c1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1	ZINC000675650495	1075247366	/nfs/dbraw/zinc/24/73/66/1075247366.db2.gz	FWSGXBKFBWFRTK-HQRMLTQVSA-N	1	1	415.538	1.307	20	0		HDADMO
Cn1cccc1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1	ZINC000675655987	1075250014	/nfs/dbraw/zinc/25/00/14/1075250014.db2.gz	JUZAXLPNRDLPQA-MSOLQXFVSA-N	1	1	403.527	1.136	20	0		HDADMO
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC1	ZINC000509359867	1075250309	/nfs/dbraw/zinc/25/03/09/1075250309.db2.gz	TWBUTHVNGHXTEW-IBGZPJMESA-N	1	1	407.534	1.624	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C3)CC[N@H+]1C	ZINC001005751812	1075251943	/nfs/dbraw/zinc/25/19/43/1075251943.db2.gz	WESFSUBKQCAGLM-ZRSRNVLSSA-N	1	1	401.555	1.676	20	0		HDADMO
COCc1nnc(NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)s1	ZINC000477193151	1075259646	/nfs/dbraw/zinc/25/96/46/1075259646.db2.gz	LBPAUDJSYVVOKX-UHFFFAOYSA-N	1	1	419.551	1.882	20	0		HDADMO
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000675699208	1075260198	/nfs/dbraw/zinc/26/01/98/1075260198.db2.gz	RKUPZHHAQRBPAZ-YOEHRIQHSA-N	1	1	422.551	1.302	20	0		HDADMO
Cc1ccc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1S(=O)(=O)N(C)C	ZINC000429377724	1075267020	/nfs/dbraw/zinc/26/70/20/1075267020.db2.gz	NLGQAAXIEADJLH-MRXNPFEDSA-N	1	1	422.595	1.990	20	0		HDADMO
NC(=O)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1	ZINC000544456186	1075268746	/nfs/dbraw/zinc/26/87/46/1075268746.db2.gz	FUNMIQKOGNHHHS-UKRRQHHQSA-N	1	1	402.264	1.375	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000675786721	1075271568	/nfs/dbraw/zinc/27/15/68/1075271568.db2.gz	ZSFZWDZAQSYGMP-IBGZPJMESA-N	1	1	402.539	1.342	20	0		HDADMO
Cc1noc([C@@H]2CCC[N@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C2)n1	ZINC000509366362	1075272375	/nfs/dbraw/zinc/27/23/75/1075272375.db2.gz	NZLHDCATSDXWKR-QGZVFWFLSA-N	1	1	406.508	1.779	20	0		HDADMO
Cc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C2)n1	ZINC000509366362	1075272377	/nfs/dbraw/zinc/27/23/77/1075272377.db2.gz	NZLHDCATSDXWKR-QGZVFWFLSA-N	1	1	406.508	1.779	20	0		HDADMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000429380786	1075274046	/nfs/dbraw/zinc/27/40/46/1075274046.db2.gz	VGNZKEWUKHMNRE-HUUCEWRRSA-N	1	1	424.567	1.630	20	0		HDADMO
COc1cccc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CCO2)c1	ZINC000675821633	1075277609	/nfs/dbraw/zinc/27/76/09/1075277609.db2.gz	KFLJGWAXUNGDSP-NQIIRXRSSA-N	1	1	402.539	1.947	20	0		HDADMO
COc1cccc([C@@H]2CN(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CCO2)c1	ZINC000675821633	1075277612	/nfs/dbraw/zinc/27/76/12/1075277612.db2.gz	KFLJGWAXUNGDSP-NQIIRXRSSA-N	1	1	402.539	1.947	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)Cc3cnccc3C)n2)c1C	ZINC000485037855	1075277661	/nfs/dbraw/zinc/27/76/61/1075277661.db2.gz	XBPYWQXBONZJRY-UHFFFAOYSA-N	1	1	423.477	1.647	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC4(CCC4)[C@@H]3C3CC3)n2)c1C	ZINC000577685914	1075277929	/nfs/dbraw/zinc/27/79/29/1075277929.db2.gz	LNSMMCLJEKJUEZ-SFHVURJKSA-N	1	1	424.505	2.076	20	0		HDADMO
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1	ZINC001129074292	1075278976	/nfs/dbraw/zinc/27/89/76/1075278976.db2.gz	QVLNQNUETKPGON-MJGOQNOKSA-N	1	1	407.536	1.452	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466698423	1075279288	/nfs/dbraw/zinc/27/92/88/1075279288.db2.gz	XLPBVSNCJYDOHF-QFBILLFUSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[N@H+]1Cc1ccccc1	ZINC000466701990	1075282253	/nfs/dbraw/zinc/28/22/53/1075282253.db2.gz	ANPXNEZZXUGXKS-MAUKXSAKSA-N	1	1	422.485	1.760	20	0		HDADMO
Cc1ccc(Cc2nnc(NC(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)s2)cc1	ZINC000466133189	1075287111	/nfs/dbraw/zinc/28/71/11/1075287111.db2.gz	DSGNTCPAEHQENG-MRXNPFEDSA-N	1	1	402.568	2.442	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)cc2)CC1	ZINC000675883549	1075288716	/nfs/dbraw/zinc/28/87/16/1075288716.db2.gz	OYQSUJVZOSQXIJ-AEFFLSMTSA-N	1	1	401.511	1.630	20	0		HDADMO
C[C@@H]1N(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CCOC1(C)C	ZINC000675886071	1075289553	/nfs/dbraw/zinc/28/95/53/1075289553.db2.gz	MLUZKKDOYOHVTP-KRWDZBQOSA-N	1	1	417.554	1.928	20	0		HDADMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1	ZINC000675917754	1075291094	/nfs/dbraw/zinc/29/10/94/1075291094.db2.gz	CPLILOUHVJMUIU-KRWDZBQOSA-N	1	1	418.925	1.845	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C[N@H+]1Cc1ccccc1	ZINC000466706635	1075297590	/nfs/dbraw/zinc/29/75/90/1075297590.db2.gz	QSQJZEHPGZPSIL-PBHICJAKSA-N	1	1	408.458	1.849	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O	ZINC000479102978	1075297611	/nfs/dbraw/zinc/29/76/11/1075297611.db2.gz	UNCGSOOLPMWARA-ZDUSSCGKSA-N	1	1	416.349	1.956	20	0		HDADMO
C[C@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@H+]1CC(C)(C)O	ZINC000479102978	1075297616	/nfs/dbraw/zinc/29/76/16/1075297616.db2.gz	UNCGSOOLPMWARA-ZDUSSCGKSA-N	1	1	416.349	1.956	20	0		HDADMO
COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OC(C)C	ZINC000467563871	1075301465	/nfs/dbraw/zinc/30/14/65/1075301465.db2.gz	HUBPPYROJRGQLJ-MRXNPFEDSA-N	1	1	405.495	1.602	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)C2)nc(C)[nH+]1	ZINC000731294479	1075305207	/nfs/dbraw/zinc/30/52/07/1075305207.db2.gz	LXDDDJPQQCFBQM-ZACQAIPSSA-N	1	1	400.479	1.781	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1-c1ncco1	ZINC000675928113	1075305510	/nfs/dbraw/zinc/30/55/10/1075305510.db2.gz	IMTUEVIVXNDPJS-GOSISDBHSA-N	1	1	411.506	1.827	20	0		HDADMO
CNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1	ZINC000731295696	1075305550	/nfs/dbraw/zinc/30/55/50/1075305550.db2.gz	JOWPFEMPQDBJGH-MRXNPFEDSA-N	1	1	404.492	1.827	20	0		HDADMO
Cc1cc(N2CCC[C@@H](OC(=O)CN3C(=O)NC4(CCCCC4)C3=O)C2)nc(C)[nH+]1	ZINC000731296992	1075305936	/nfs/dbraw/zinc/30/59/36/1075305936.db2.gz	ZOLCVBFMVHONTC-MRXNPFEDSA-N	1	1	415.494	1.860	20	0		HDADMO
COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000429387848	1075308760	/nfs/dbraw/zinc/30/87/60/1075308760.db2.gz	PTXUPJKJTXACGJ-QGZVFWFLSA-N	1	1	402.539	1.710	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=S)Nc3ccc(C(N)=O)cc3)CC2)CC1	ZINC000731316793	1075309535	/nfs/dbraw/zinc/30/95/35/1075309535.db2.gz	DSGODCVXKZSKCU-UHFFFAOYSA-N	1	1	403.552	1.358	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(CN3C(=O)CC4(CCCCC4)C3=O)CC2)CC1	ZINC000731354141	1075316929	/nfs/dbraw/zinc/31/69/29/1075316929.db2.gz	JMRCUVYAWRLWGZ-UHFFFAOYSA-N	1	1	404.555	1.529	20	0		HDADMO
CCN(C1CC[NH+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1)S(C)(=O)=O	ZINC000731355089	1075318034	/nfs/dbraw/zinc/31/80/34/1075318034.db2.gz	LSTCBTPYMUEUCZ-UHFFFAOYSA-N	1	1	421.519	1.997	20	0		HDADMO
CN(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1	ZINC000676022525	1075327097	/nfs/dbraw/zinc/32/70/97/1075327097.db2.gz	HQSXMSHKFKBOJC-IBGZPJMESA-N	1	1	415.925	1.803	20	0		HDADMO
CCN1CCN(C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)[C@@H](C)C1=O	ZINC000429389012	1075331944	/nfs/dbraw/zinc/33/19/44/1075331944.db2.gz	WZSQGTKDHBZJCG-HNNXBMFYSA-N	1	1	417.510	1.167	20	0		HDADMO
CSc1cccc(S(=O)(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1	ZINC000509377906	1075332367	/nfs/dbraw/zinc/33/23/67/1075332367.db2.gz	ZSTKAKFWBPPWCB-UHFFFAOYSA-N	1	1	411.593	1.973	20	0		HDADMO
Cc1noc(C[C@@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c2ccccc2)n1	ZINC000429390157	1075333578	/nfs/dbraw/zinc/33/35/78/1075333578.db2.gz	YEYLJKKDQKMXFF-XLIONFOSSA-N	1	1	403.483	1.044	20	0		HDADMO
C[N@H+](CCOC(C)(C)C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000676041341	1075338448	/nfs/dbraw/zinc/33/84/48/1075338448.db2.gz	GSYPGYKTBQZHDO-LJQANCHMSA-N	1	1	419.522	1.244	20	0		HDADMO
C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000676041341	1075338451	/nfs/dbraw/zinc/33/84/51/1075338451.db2.gz	GSYPGYKTBQZHDO-LJQANCHMSA-N	1	1	419.522	1.244	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1	ZINC000676044869	1075338777	/nfs/dbraw/zinc/33/87/77/1075338777.db2.gz	LPWYJWGSLVHNPW-MRXNPFEDSA-N	1	1	403.433	1.909	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1COC1CCOCC1	ZINC000676050939	1075341272	/nfs/dbraw/zinc/34/12/72/1075341272.db2.gz	HOLMNVBMBSKLQQ-HXUWFJFHSA-N	1	1	417.550	1.519	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H]1C=CCCC1	ZINC000466710166	1075342629	/nfs/dbraw/zinc/34/26/29/1075342629.db2.gz	KIEKVDVIFAQSMY-MRXNPFEDSA-N	1	1	400.479	1.246	20	0		HDADMO
CC(C)N1C(=S)N=NC1CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000731447203	1075342910	/nfs/dbraw/zinc/34/29/10/1075342910.db2.gz	SYQVHZWRICRBEE-GOSISDBHSA-N	1	1	402.568	1.795	20	0		HDADMO
Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)[nH]c2c1	ZINC000676093458	1075354354	/nfs/dbraw/zinc/35/43/54/1075354354.db2.gz	JPUNVFPEIGZKLE-SFHVURJKSA-N	1	1	409.494	1.932	20	0		HDADMO
C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC000676094700	1075355603	/nfs/dbraw/zinc/35/56/03/1075355603.db2.gz	ZOVIRFRJDVKIFZ-UHFFFAOYSA-N	1	1	408.462	1.463	20	0		HDADMO
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c1	ZINC000731467249	1075357748	/nfs/dbraw/zinc/35/77/48/1075357748.db2.gz	NVODTVJYVAWFIM-MRXNPFEDSA-N	1	1	423.560	1.619	20	0		HDADMO
COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)cc1	ZINC000541370993	1075373495	/nfs/dbraw/zinc/37/34/95/1075373495.db2.gz	QAFBMZJCPLBZAS-UHFFFAOYSA-N	1	1	414.510	1.715	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)cc1	ZINC000541370993	1075373501	/nfs/dbraw/zinc/37/35/01/1075373501.db2.gz	QAFBMZJCPLBZAS-UHFFFAOYSA-N	1	1	414.510	1.715	20	0		HDADMO
COCCOc1ncccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000466713944	1075379562	/nfs/dbraw/zinc/37/95/62/1075379562.db2.gz	SHBZGXCOTQQDBT-AEFFLSMTSA-N	1	1	412.490	1.825	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O	ZINC000466713536	1075381198	/nfs/dbraw/zinc/38/11/98/1075381198.db2.gz	OPNKHDYKJVTALJ-GOEBONIOSA-N	1	1	405.520	1.878	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O	ZINC000466713536	1075381202	/nfs/dbraw/zinc/38/12/02/1075381202.db2.gz	OPNKHDYKJVTALJ-GOEBONIOSA-N	1	1	405.520	1.878	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)CC1	ZINC000731607066	1075398099	/nfs/dbraw/zinc/39/80/99/1075398099.db2.gz	GLQFUAUFYFQMGN-UHFFFAOYSA-N	1	1	413.474	1.920	20	0		HDADMO
C[C@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC[N@H+](C2CCC2)C1	ZINC000429399420	1075405368	/nfs/dbraw/zinc/40/53/68/1075405368.db2.gz	CGSPUELATKAGMA-HNNXBMFYSA-N	1	1	402.495	1.912	20	0		HDADMO
Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1	ZINC000643605685	1075411500	/nfs/dbraw/zinc/41/15/00/1075411500.db2.gz	QGOXDNMQEITSRD-HXUWFJFHSA-N	1	1	419.485	2.325	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1	ZINC000533317542	1075420395	/nfs/dbraw/zinc/42/03/95/1075420395.db2.gz	LZRCHMZULPCPPN-UHFFFAOYSA-N	1	1	402.474	1.986	20	0		HDADMO
Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000556435733	1075421293	/nfs/dbraw/zinc/42/12/93/1075421293.db2.gz	RINMOQGGVPGZND-AWEZNQCLSA-N	1	1	414.485	1.986	20	0		HDADMO
CC(=O)NCCc1ccc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000676203849	1075426232	/nfs/dbraw/zinc/42/62/32/1075426232.db2.gz	NWFZRKZHRSADPO-IRXDYDNUSA-N	1	1	411.568	1.533	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)nn1	ZINC000551765657	1075428034	/nfs/dbraw/zinc/42/80/34/1075428034.db2.gz	MIIRZTYPKGISKR-UHFFFAOYSA-N	1	1	409.446	1.965	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)nn1	ZINC000551765657	1075428036	/nfs/dbraw/zinc/42/80/36/1075428036.db2.gz	MIIRZTYPKGISKR-UHFFFAOYSA-N	1	1	409.446	1.965	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1	ZINC000556563878	1075431503	/nfs/dbraw/zinc/43/15/03/1075431503.db2.gz	OHKFIUHRPBYHSN-AWEZNQCLSA-N	1	1	423.395	1.833	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1	ZINC000556563878	1075431509	/nfs/dbraw/zinc/43/15/09/1075431509.db2.gz	OHKFIUHRPBYHSN-AWEZNQCLSA-N	1	1	423.395	1.833	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC000509389732	1075435095	/nfs/dbraw/zinc/43/50/95/1075435095.db2.gz	UARBLLYHXHUFJX-DLBZAZTESA-N	1	1	409.552	1.851	20	0		HDADMO
CC(C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1	ZINC000466719390	1075441161	/nfs/dbraw/zinc/44/11/61/1075441161.db2.gz	RKRBDTLBOSDBNF-GHTZIAJQSA-N	1	1	415.534	1.865	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676241873	1075443630	/nfs/dbraw/zinc/44/36/30/1075443630.db2.gz	JHTABVAMQGBEBM-QAPCUYQASA-N	1	1	412.556	1.033	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676241873	1075443632	/nfs/dbraw/zinc/44/36/32/1075443632.db2.gz	JHTABVAMQGBEBM-QAPCUYQASA-N	1	1	412.556	1.033	20	0		HDADMO
C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676243203	1075444959	/nfs/dbraw/zinc/44/49/59/1075444959.db2.gz	FJLHUUMUKYYUON-APWZRJJASA-N	1	1	424.567	1.106	20	0		HDADMO
C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676243203	1075444962	/nfs/dbraw/zinc/44/49/62/1075444962.db2.gz	FJLHUUMUKYYUON-APWZRJJASA-N	1	1	424.567	1.106	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676242547	1075444995	/nfs/dbraw/zinc/44/49/95/1075444995.db2.gz	XQJRKRNWWQEXSH-APWZRJJASA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676242547	1075444998	/nfs/dbraw/zinc/44/49/98/1075444998.db2.gz	XQJRKRNWWQEXSH-APWZRJJASA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)[C@H]1C[N@H+](C)CCO1	ZINC000676248079	1075448466	/nfs/dbraw/zinc/44/84/66/1075448466.db2.gz	MEUKJXVHPXQXHE-RLFYNMQTSA-N	1	1	417.510	1.111	20	0		HDADMO
C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1	ZINC000676248079	1075448468	/nfs/dbraw/zinc/44/84/68/1075448468.db2.gz	MEUKJXVHPXQXHE-RLFYNMQTSA-N	1	1	417.510	1.111	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676259084	1075453800	/nfs/dbraw/zinc/45/38/00/1075453800.db2.gz	QSYGBMNAWXWZAO-MDZRGWNJSA-N	1	1	409.552	1.556	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259084	1075453803	/nfs/dbraw/zinc/45/38/03/1075453803.db2.gz	QSYGBMNAWXWZAO-MDZRGWNJSA-N	1	1	409.552	1.556	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676259024	1075454746	/nfs/dbraw/zinc/45/47/46/1075454746.db2.gz	ZUSHVQQPCMRBTD-RDTXWAMCSA-N	1	1	413.540	1.175	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676259024	1075454749	/nfs/dbraw/zinc/45/47/49/1075454749.db2.gz	ZUSHVQQPCMRBTD-RDTXWAMCSA-N	1	1	413.540	1.175	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258547	1075455774	/nfs/dbraw/zinc/45/57/74/1075455774.db2.gz	JFOBHCKFIHVZQO-XEZPLFJOSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258547	1075455778	/nfs/dbraw/zinc/45/57/78/1075455778.db2.gz	JFOBHCKFIHVZQO-XEZPLFJOSA-N	1	1	410.312	1.637	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676259799	1075456365	/nfs/dbraw/zinc/45/63/65/1075456365.db2.gz	BUNUAMGCWJGRJP-WMLDXEAASA-N	1	1	412.556	1.745	20	0		HDADMO
C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676259799	1075456370	/nfs/dbraw/zinc/45/63/70/1075456370.db2.gz	BUNUAMGCWJGRJP-WMLDXEAASA-N	1	1	412.556	1.745	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676259849	1075456426	/nfs/dbraw/zinc/45/64/26/1075456426.db2.gz	QPFDCDQLZYVKDG-QFBILLFUSA-N	1	1	411.568	1.485	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676259849	1075456433	/nfs/dbraw/zinc/45/64/33/1075456433.db2.gz	QPFDCDQLZYVKDG-QFBILLFUSA-N	1	1	411.568	1.485	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c(C)c1	ZINC000676260735	1075458350	/nfs/dbraw/zinc/45/83/50/1075458350.db2.gz	WVNUVPBBHRLDNF-HKUYNNGSSA-N	1	1	423.579	1.539	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c(C)c1	ZINC000676260735	1075458356	/nfs/dbraw/zinc/45/83/56/1075458356.db2.gz	WVNUVPBBHRLDNF-HKUYNNGSSA-N	1	1	423.579	1.539	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676260593	1075458885	/nfs/dbraw/zinc/45/88/85/1075458885.db2.gz	GCULXHBRSBUUTN-OXJNMPFZSA-N	1	1	417.531	1.614	20	0		HDADMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676260593	1075458888	/nfs/dbraw/zinc/45/88/88/1075458888.db2.gz	GCULXHBRSBUUTN-OXJNMPFZSA-N	1	1	417.531	1.614	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)C2)s1	ZINC000676260307	1075459230	/nfs/dbraw/zinc/45/92/30/1075459230.db2.gz	SYIOBDQDUKVSPK-PMPSAXMXSA-N	1	1	415.581	1.293	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)s1	ZINC000676260307	1075459232	/nfs/dbraw/zinc/45/92/32/1075459232.db2.gz	SYIOBDQDUKVSPK-PMPSAXMXSA-N	1	1	415.581	1.293	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)N1CCCCC1	ZINC000676262273	1075461558	/nfs/dbraw/zinc/46/15/58/1075461558.db2.gz	WYGNAARZBMRUPE-WMZOPIPTSA-N	1	1	409.552	1.619	20	0		HDADMO
Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)N1CCCCC1	ZINC000676262273	1075461560	/nfs/dbraw/zinc/46/15/60/1075461560.db2.gz	WYGNAARZBMRUPE-WMZOPIPTSA-N	1	1	409.552	1.619	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1CN(C)CCO1	ZINC000676262268	1075461813	/nfs/dbraw/zinc/46/18/13/1075461813.db2.gz	BUGRVMKSVKUMSV-LAUBAEHRSA-N	1	1	415.538	1.814	20	0		HDADMO
C[N@@H+](CCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C1CCCCC1	ZINC000731680472	1075462314	/nfs/dbraw/zinc/46/23/14/1075462314.db2.gz	MXXMCTPYYLCEKO-UHFFFAOYSA-N	1	1	402.605	1.449	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676248416	1075466026	/nfs/dbraw/zinc/46/60/26/1075466026.db2.gz	SSGUIIPLIWTUGV-IEBWSBKVSA-N	1	1	403.527	1.285	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248416	1075466031	/nfs/dbraw/zinc/46/60/31/1075466031.db2.gz	SSGUIIPLIWTUGV-IEBWSBKVSA-N	1	1	403.527	1.285	20	0		HDADMO
COc1cc(OC)cc([C@H](NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c2nccn2C)c1	ZINC000676251428	1075469605	/nfs/dbraw/zinc/46/96/05/1075469605.db2.gz	MKPSJESRONSPIM-KYNGSXCRSA-N	1	1	417.510	1.545	20	0		HDADMO
COc1cc(OC)cc([C@H](NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c2nccn2C)c1	ZINC000676251428	1075469610	/nfs/dbraw/zinc/46/96/10/1075469610.db2.gz	MKPSJESRONSPIM-KYNGSXCRSA-N	1	1	417.510	1.545	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676252257	1075470078	/nfs/dbraw/zinc/47/00/78/1075470078.db2.gz	QTEVEYORHRWLKX-UYAOXDASSA-N	1	1	402.539	1.582	20	0		HDADMO
C[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676252257	1075470084	/nfs/dbraw/zinc/47/00/84/1075470084.db2.gz	QTEVEYORHRWLKX-UYAOXDASSA-N	1	1	402.539	1.582	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676252438	1075470662	/nfs/dbraw/zinc/47/06/62/1075470662.db2.gz	VSPHQNNEEOUVPH-FXAWDEMLSA-N	1	1	418.538	1.201	20	0		HDADMO
COc1ccc(CCC(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676252438	1075470668	/nfs/dbraw/zinc/47/06/68/1075470668.db2.gz	VSPHQNNEEOUVPH-FXAWDEMLSA-N	1	1	418.538	1.201	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676253208	1075471195	/nfs/dbraw/zinc/47/11/95/1075471195.db2.gz	ZHJTVJQZCCIJLF-MSOLQXFVSA-N	1	1	424.567	1.038	20	0		HDADMO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676253208	1075471198	/nfs/dbraw/zinc/47/11/98/1075471198.db2.gz	ZHJTVJQZCCIJLF-MSOLQXFVSA-N	1	1	424.567	1.038	20	0		HDADMO
COc1ccc(OC)c(CN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676253298	1075471838	/nfs/dbraw/zinc/47/18/38/1075471838.db2.gz	VOGXCYUKGFKGMQ-OXJNMPFZSA-N	1	1	406.527	1.250	20	0		HDADMO
COc1ccc(OC)c(CN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676253298	1075471840	/nfs/dbraw/zinc/47/18/40/1075471840.db2.gz	VOGXCYUKGFKGMQ-OXJNMPFZSA-N	1	1	406.527	1.250	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000804220634	1075472786	/nfs/dbraw/zinc/47/27/86/1075472786.db2.gz	GPXFGNSHGFMOBM-YESZJQIVSA-N	1	1	410.559	1.833	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676277967	1075477013	/nfs/dbraw/zinc/47/70/13/1075477013.db2.gz	CSHVIYBFNVPLFH-OXQOHEQNSA-N	1	1	424.501	1.737	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676277967	1075477014	/nfs/dbraw/zinc/47/70/14/1075477014.db2.gz	CSHVIYBFNVPLFH-OXQOHEQNSA-N	1	1	424.501	1.737	20	0		HDADMO
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc2F)n1	ZINC000676278685	1075480476	/nfs/dbraw/zinc/48/04/76/1075480476.db2.gz	JXLJCHHUFSNCCV-RDTXWAMCSA-N	1	1	403.458	1.402	20	0		HDADMO
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc2F)n1	ZINC000676278685	1075480479	/nfs/dbraw/zinc/48/04/79/1075480479.db2.gz	JXLJCHHUFSNCCV-RDTXWAMCSA-N	1	1	403.458	1.402	20	0		HDADMO
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676278418	1075481226	/nfs/dbraw/zinc/48/12/26/1075481226.db2.gz	HPNQYXXYXWVRRA-VQIMIIECSA-N	1	1	418.538	1.723	20	0		HDADMO
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676278418	1075481233	/nfs/dbraw/zinc/48/12/33/1075481233.db2.gz	HPNQYXXYXWVRRA-VQIMIIECSA-N	1	1	418.538	1.723	20	0		HDADMO
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1	ZINC000676278417	1075481480	/nfs/dbraw/zinc/48/14/80/1075481480.db2.gz	HPNQYXXYXWVRRA-QFBILLFUSA-N	1	1	418.538	1.723	20	0		HDADMO
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1	ZINC000676278417	1075481484	/nfs/dbraw/zinc/48/14/84/1075481484.db2.gz	HPNQYXXYXWVRRA-QFBILLFUSA-N	1	1	418.538	1.723	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1C[N@H+](C)CCO1	ZINC000676280009	1075482115	/nfs/dbraw/zinc/48/21/15/1075482115.db2.gz	SKSMLFSYNJNUNG-YGRLFVJLSA-N	1	1	414.275	1.313	20	0		HDADMO
C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280009	1075482120	/nfs/dbraw/zinc/48/21/20/1075482120.db2.gz	SKSMLFSYNJNUNG-YGRLFVJLSA-N	1	1	414.275	1.313	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CN(C)CCO1	ZINC000676279621	1075483885	/nfs/dbraw/zinc/48/38/85/1075483885.db2.gz	PKFQRXUJSYNYRP-AXVVYFOYSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CN(C)CCO1	ZINC000676279621	1075483887	/nfs/dbraw/zinc/48/38/87/1075483887.db2.gz	PKFQRXUJSYNYRP-AXVVYFOYSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279589	1075483894	/nfs/dbraw/zinc/48/38/94/1075483894.db2.gz	DHCSEGAYMZWXDF-PWSUYJOCSA-N	1	1	422.379	1.135	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279589	1075483897	/nfs/dbraw/zinc/48/38/97/1075483897.db2.gz	DHCSEGAYMZWXDF-PWSUYJOCSA-N	1	1	422.379	1.135	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1C[N@H+](C)CCO1	ZINC000676279571	1075483922	/nfs/dbraw/zinc/48/39/22/1075483922.db2.gz	CYAIBZMPBYTFSK-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1C[N@@H+](C)CCO1	ZINC000676279571	1075483925	/nfs/dbraw/zinc/48/39/25/1075483925.db2.gz	CYAIBZMPBYTFSK-NOZJJQNGSA-N	1	1	404.692	1.876	20	0		HDADMO
CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676279449	1075484480	/nfs/dbraw/zinc/48/44/80/1075484480.db2.gz	NSPSMXAAXYPZJJ-BBRMVZONSA-N	1	1	413.902	1.529	20	0		HDADMO
CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279449	1075484483	/nfs/dbraw/zinc/48/44/83/1075484483.db2.gz	NSPSMXAAXYPZJJ-BBRMVZONSA-N	1	1	413.902	1.529	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676279405	1075484532	/nfs/dbraw/zinc/48/45/32/1075484532.db2.gz	PCEAYCGFQCKESN-RDTXWAMCSA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676279405	1075484533	/nfs/dbraw/zinc/48/45/33/1075484533.db2.gz	PCEAYCGFQCKESN-RDTXWAMCSA-N	1	1	411.462	1.108	20	0		HDADMO
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1Cl	ZINC000676280282	1075486654	/nfs/dbraw/zinc/48/66/54/1075486654.db2.gz	UUJQXZQLYTUSCX-SUMWQHHRSA-N	1	1	424.929	1.596	20	0		HDADMO
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1Cl	ZINC000676280282	1075486659	/nfs/dbraw/zinc/48/66/59/1075486659.db2.gz	UUJQXZQLYTUSCX-SUMWQHHRSA-N	1	1	424.929	1.596	20	0		HDADMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1Br	ZINC000711749114	1075487304	/nfs/dbraw/zinc/48/73/04/1075487304.db2.gz	KYGUDUXTWKKTFI-SFHVURJKSA-N	1	1	407.312	1.892	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281220	1075487918	/nfs/dbraw/zinc/48/79/18/1075487918.db2.gz	XZCCYDZEAVUKGG-YZLZLFLDSA-N	1	1	418.538	1.070	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281220	1075487922	/nfs/dbraw/zinc/48/79/22/1075487922.db2.gz	XZCCYDZEAVUKGG-YZLZLFLDSA-N	1	1	418.538	1.070	20	0		HDADMO
COCCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1	ZINC000509401372	1075488256	/nfs/dbraw/zinc/48/82/56/1075488256.db2.gz	SCSMAESVHDBQEI-KRWDZBQOSA-N	1	1	419.547	1.862	20	0		HDADMO
CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676281603	1075488780	/nfs/dbraw/zinc/48/87/80/1075488780.db2.gz	YZKGXTDYLZQYGL-IAQYHMDHSA-N	1	1	414.300	1.622	20	0		HDADMO
CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676281603	1075488782	/nfs/dbraw/zinc/48/87/82/1075488782.db2.gz	YZKGXTDYLZQYGL-IAQYHMDHSA-N	1	1	414.300	1.622	20	0		HDADMO
Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676281570	1075488806	/nfs/dbraw/zinc/48/88/06/1075488806.db2.gz	NVPLBWWWSIWCNF-WMLDXEAASA-N	1	1	415.519	1.710	20	0		HDADMO
Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676281570	1075488810	/nfs/dbraw/zinc/48/88/10/1075488810.db2.gz	NVPLBWWWSIWCNF-WMLDXEAASA-N	1	1	415.519	1.710	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676282684	1075490068	/nfs/dbraw/zinc/49/00/68/1075490068.db2.gz	UFWQFBNTJJPGIS-LPHOPBHVSA-N	1	1	416.522	1.015	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676282684	1075490075	/nfs/dbraw/zinc/49/00/75/1075490075.db2.gz	UFWQFBNTJJPGIS-LPHOPBHVSA-N	1	1	416.522	1.015	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1C[N@H+](C)CCO1	ZINC000676283333	1075490376	/nfs/dbraw/zinc/49/03/76/1075490376.db2.gz	YTFMLKBXLZKBQC-KBXCAEBGSA-N	1	1	403.479	1.892	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1C[N@@H+](C)CCO1	ZINC000676283333	1075490378	/nfs/dbraw/zinc/49/03/78/1075490378.db2.gz	YTFMLKBXLZKBQC-KBXCAEBGSA-N	1	1	403.479	1.892	20	0		HDADMO
COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)N2CCOCC2)cc1	ZINC000676289072	1075492253	/nfs/dbraw/zinc/49/22/53/1075492253.db2.gz	KZTLNNPENUMEHN-UXPWSPDFSA-N	1	1	406.527	1.087	20	0		HDADMO
COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)N2CCOCC2)cc1	ZINC000676289072	1075492259	/nfs/dbraw/zinc/49/22/59/1075492259.db2.gz	KZTLNNPENUMEHN-UXPWSPDFSA-N	1	1	406.527	1.087	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1	ZINC000676288838	1075492759	/nfs/dbraw/zinc/49/27/59/1075492759.db2.gz	SORZHXGWEKESPQ-VQIMIIECSA-N	1	1	424.567	1.166	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1	ZINC000676288838	1075492762	/nfs/dbraw/zinc/49/27/62/1075492762.db2.gz	SORZHXGWEKESPQ-VQIMIIECSA-N	1	1	424.567	1.166	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676288907	1075492768	/nfs/dbraw/zinc/49/27/68/1075492768.db2.gz	AMZYHYPKNMJDGS-XKQJLSEDSA-N	1	1	424.339	1.889	20	0		HDADMO
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676288907	1075492771	/nfs/dbraw/zinc/49/27/71/1075492771.db2.gz	AMZYHYPKNMJDGS-XKQJLSEDSA-N	1	1	424.339	1.889	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1	ZINC000676307491	1075493187	/nfs/dbraw/zinc/49/31/87/1075493187.db2.gz	ZGMWCUJWGUAJEI-KFWWJZLASA-N	1	1	408.465	1.538	20	0		HDADMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1	ZINC000676307491	1075493191	/nfs/dbraw/zinc/49/31/91/1075493191.db2.gz	ZGMWCUJWGUAJEI-KFWWJZLASA-N	1	1	408.465	1.538	20	0		HDADMO
C[C@@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676291291	1075495439	/nfs/dbraw/zinc/49/54/39/1075495439.db2.gz	OHSHRXQQOFGRIM-BEFAXECRSA-N	1	1	400.479	1.728	20	0		HDADMO
C[C@@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676291291	1075495446	/nfs/dbraw/zinc/49/54/46/1075495446.db2.gz	OHSHRXQQOFGRIM-BEFAXECRSA-N	1	1	400.479	1.728	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1	ZINC000676291838	1075495914	/nfs/dbraw/zinc/49/59/14/1075495914.db2.gz	LFCCKLKPTMHMEX-QGZVFWFLSA-N	1	1	407.584	1.376	20	0		HDADMO
CCO[C@H]1COCC[C@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000546825372	1075501427	/nfs/dbraw/zinc/50/14/27/1075501427.db2.gz	SGCVMQHEOGJMDT-UXHICEINSA-N	1	1	406.527	1.510	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCO1	ZINC000676303986	1075501734	/nfs/dbraw/zinc/50/17/34/1075501734.db2.gz	IOCRODKGRVFPSN-HUBLWGQQSA-N	1	1	406.310	1.751	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[N@@H+](C)CCO1	ZINC000676303986	1075501738	/nfs/dbraw/zinc/50/17/38/1075501738.db2.gz	IOCRODKGRVFPSN-HUBLWGQQSA-N	1	1	406.310	1.751	20	0		HDADMO
CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000676304052	1075501942	/nfs/dbraw/zinc/50/19/42/1075501942.db2.gz	JIKMZHQGPPYOKE-APWZRJJASA-N	1	1	404.511	1.272	20	0		HDADMO
CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000676304052	1075501947	/nfs/dbraw/zinc/50/19/47/1075501947.db2.gz	JIKMZHQGPPYOKE-APWZRJJASA-N	1	1	404.511	1.272	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676306233	1075503982	/nfs/dbraw/zinc/50/39/82/1075503982.db2.gz	KTOHYYJVNQOHIU-MAUKXSAKSA-N	1	1	424.929	1.292	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676306233	1075503986	/nfs/dbraw/zinc/50/39/86/1075503986.db2.gz	KTOHYYJVNQOHIU-MAUKXSAKSA-N	1	1	424.929	1.292	20	0		HDADMO
C[C@@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676306925	1075504255	/nfs/dbraw/zinc/50/42/55/1075504255.db2.gz	XCOCATXBMOTKGY-FOIQADDNSA-N	1	1	400.523	1.972	20	0		HDADMO
C[C@@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676306925	1075504261	/nfs/dbraw/zinc/50/42/61/1075504261.db2.gz	XCOCATXBMOTKGY-FOIQADDNSA-N	1	1	400.523	1.972	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676306527	1075504351	/nfs/dbraw/zinc/50/43/51/1075504351.db2.gz	VIFQLQNMAHJASO-QWFCFKBJSA-N	1	1	418.538	1.335	20	0		HDADMO
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676306527	1075504354	/nfs/dbraw/zinc/50/43/54/1075504354.db2.gz	VIFQLQNMAHJASO-QWFCFKBJSA-N	1	1	418.538	1.335	20	0		HDADMO
CC(C)NS(=O)(=O)Cc1ccc(CNc2nc(N3CCOCC3)cc[nH+]2)cc1	ZINC000676307788	1075505107	/nfs/dbraw/zinc/50/51/07/1075505107.db2.gz	DVHAIEFUEBTKDA-UHFFFAOYSA-N	1	1	405.524	1.753	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cncc(-c2ccc3c(c2)CCO3)c1	ZINC000676336588	1075511414	/nfs/dbraw/zinc/51/14/14/1075511414.db2.gz	RPIMOJCJAONZRM-JOCHJYFZSA-N	1	1	422.529	1.820	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cc(C(C)C)on3)CC2)oc1C	ZINC000441865619	1075515764	/nfs/dbraw/zinc/51/57/64/1075515764.db2.gz	JNIJFFPIYFSUSQ-UHFFFAOYSA-N	1	1	403.483	2.370	20	0		HDADMO
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000676346617	1075519919	/nfs/dbraw/zinc/51/99/19/1075519919.db2.gz	BWSOXXJNTCUTBK-QAETUUGQSA-N	1	1	412.575	1.048	20	0		HDADMO
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000676346617	1075519922	/nfs/dbraw/zinc/51/99/22/1075519922.db2.gz	BWSOXXJNTCUTBK-QAETUUGQSA-N	1	1	412.575	1.048	20	0		HDADMO
O=S1(=O)CC[C@@H](SCc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1	ZINC000731805151	1075526753	/nfs/dbraw/zinc/52/67/53/1075526753.db2.gz	XEXSGMBMDNQOPF-MRXNPFEDSA-N	1	1	409.533	1.989	20	0		HDADMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429428538	1075527696	/nfs/dbraw/zinc/52/76/96/1075527696.db2.gz	PHHBHTGBYWLLIW-AWEZNQCLSA-N	1	1	402.499	2.153	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)C1	ZINC000676359410	1075533165	/nfs/dbraw/zinc/53/31/65/1075533165.db2.gz	QDZJHGCFIIZDAP-IRXDYDNUSA-N	1	1	414.506	1.423	20	0		HDADMO
O=C(Cc1cc(F)ccc1Br)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676380860	1075539084	/nfs/dbraw/zinc/53/90/84/1075539084.db2.gz	XXJWJKRPMQDVPD-MRXNPFEDSA-N	1	1	414.319	1.653	20	0		HDADMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000550353822	1075542949	/nfs/dbraw/zinc/54/29/49/1075542949.db2.gz	PVSDKQSMNUNCLK-UHFFFAOYSA-N	1	1	417.267	1.895	20	0		HDADMO
COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000731842894	1075548073	/nfs/dbraw/zinc/54/80/73/1075548073.db2.gz	JULWOZBGRFPUOV-FJSNCCPHSA-N	1	1	410.584	1.068	20	0		HDADMO
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)C1=O	ZINC000731842951	1075548556	/nfs/dbraw/zinc/54/85/56/1075548556.db2.gz	LGSLDCJYEKSTRY-NRFANRHFSA-N	1	1	404.511	1.605	20	0		HDADMO
O=C(CC[NH+]1CCOCC1)Nc1cccc(CN2C(=O)[C@@H]3C[C@H](F)CN3C2=O)c1	ZINC000804145125	1075548741	/nfs/dbraw/zinc/54/87/41/1075548741.db2.gz	XXBJEOPXTAYTSX-RDJZCZTQSA-N	1	1	404.442	1.222	20	0		HDADMO
CCCOc1ccc2c(c1)CCN(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2	ZINC000676420782	1075549661	/nfs/dbraw/zinc/54/96/61/1075549661.db2.gz	QFROQUSBKBYREP-NRFANRHFSA-N	1	1	416.566	1.950	20	0		HDADMO
CC(C)[N@H+]1CCC[C@@H](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1	ZINC000804149544	1075551725	/nfs/dbraw/zinc/55/17/25/1075551725.db2.gz	PPFNSQYUNHMZEV-FOIQADDNSA-N	1	1	407.536	1.978	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCc2cocn2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000676453587	1075558959	/nfs/dbraw/zinc/55/89/59/1075558959.db2.gz	YORBGHURAAMRBR-GOSISDBHSA-N	1	1	408.462	1.881	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)CC1	ZINC000731898745	1075561666	/nfs/dbraw/zinc/56/16/66/1075561666.db2.gz	NUSBKTHBDBHXSB-UHFFFAOYSA-N	1	1	419.526	1.997	20	0		HDADMO
C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](n2ccnc2)C1	ZINC000676478728	1075565968	/nfs/dbraw/zinc/56/59/68/1075565968.db2.gz	OTNLCCYQFYXRPV-ZMSDIMECSA-N	1	1	405.524	1.433	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1	ZINC000676501189	1075569800	/nfs/dbraw/zinc/56/98/00/1075569800.db2.gz	PIQANGCQKRITBW-ZFWWWQNUSA-N	1	1	405.465	1.007	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1	ZINC000676501189	1075569802	/nfs/dbraw/zinc/56/98/02/1075569802.db2.gz	PIQANGCQKRITBW-ZFWWWQNUSA-N	1	1	405.465	1.007	20	0		HDADMO
COc1cc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OCC(N)=O	ZINC000731919122	1075571217	/nfs/dbraw/zinc/57/12/17/1075571217.db2.gz	QPFMRGKIRGCVHV-QGZVFWFLSA-N	1	1	414.458	1.999	20	0		HDADMO
CCNC(=O)C(C)(C)CNC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000676520113	1075575996	/nfs/dbraw/zinc/57/59/96/1075575996.db2.gz	QZSDYUKPQBTFMU-UHFFFAOYSA-N	1	1	403.527	1.748	20	0		HDADMO
CC(C)Oc1cccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1	ZINC000731974677	1075581069	/nfs/dbraw/zinc/58/10/69/1075581069.db2.gz	WLXCZXLKWQUTIT-FQEVSTJZSA-N	1	1	403.523	1.803	20	0		HDADMO
Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)o1	ZINC000676550550	1075583167	/nfs/dbraw/zinc/58/31/67/1075583167.db2.gz	LEWGPPILTCYYBA-KRWDZBQOSA-N	1	1	414.510	1.010	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000446872209	1075585585	/nfs/dbraw/zinc/58/55/85/1075585585.db2.gz	KGQFYASWDUWNLN-IBGZPJMESA-N	1	1	404.474	1.939	20	0		HDADMO
CN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000446872209	1075585588	/nfs/dbraw/zinc/58/55/88/1075585588.db2.gz	KGQFYASWDUWNLN-IBGZPJMESA-N	1	1	404.474	1.939	20	0		HDADMO
CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1Cl	ZINC000732035808	1075592128	/nfs/dbraw/zinc/59/21/28/1075592128.db2.gz	QYFSCSXQVJAUPW-AWEZNQCLSA-N	1	1	401.916	1.831	20	0		HDADMO
O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000676546636	1075593760	/nfs/dbraw/zinc/59/37/60/1075593760.db2.gz	KOHXDWMRWUGHKQ-ZDUSSCGKSA-N	1	1	403.405	1.097	20	0		HDADMO
Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)[NH+]2CCCC2)o1	ZINC000804176287	1075603608	/nfs/dbraw/zinc/60/36/08/1075603608.db2.gz	JFBDESQFHZWLHG-IRXDYDNUSA-N	1	1	405.495	1.643	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)[NH+]2CCCC2)o1	ZINC000804176285	1075603673	/nfs/dbraw/zinc/60/36/73/1075603673.db2.gz	JFBDESQFHZWLHG-DLBZAZTESA-N	1	1	405.495	1.643	20	0		HDADMO
Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)[NH+]2CCCC2)o1	ZINC000804177215	1075604309	/nfs/dbraw/zinc/60/43/09/1075604309.db2.gz	MPXCNSNAIZRIQE-GDBMZVCRSA-N	1	1	422.526	1.871	20	0		HDADMO
CC[N@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1	ZINC000732095265	1075610461	/nfs/dbraw/zinc/61/04/61/1075610461.db2.gz	BXWHVPIIVDAMFH-UHFFFAOYSA-N	1	1	414.959	1.690	20	0		HDADMO
CC(C)(CO)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000676606289	1075611152	/nfs/dbraw/zinc/61/11/52/1075611152.db2.gz	KCALCCYBODTKLB-NHCUHLMSSA-N	1	1	418.582	1.494	20	0		HDADMO
CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1	ZINC000676614177	1075616208	/nfs/dbraw/zinc/61/62/08/1075616208.db2.gz	ADHFNYVLORCKGA-UHFFFAOYSA-N	1	1	408.453	1.514	20	0		HDADMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1=O	ZINC000429456773	1075625346	/nfs/dbraw/zinc/62/53/46/1075625346.db2.gz	XUPNNHMJEKQMDC-JUSBFGHESA-N	1	1	400.523	1.178	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c1S(=O)(=O)NC1CC1	ZINC000429454425	1075633208	/nfs/dbraw/zinc/63/32/08/1075633208.db2.gz	UCUWRTNNCJIFEP-AWEZNQCLSA-N	1	1	410.540	1.274	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c1S(=O)(=O)NC1CC1	ZINC000429454425	1075633211	/nfs/dbraw/zinc/63/32/11/1075633211.db2.gz	UCUWRTNNCJIFEP-AWEZNQCLSA-N	1	1	410.540	1.274	20	0		HDADMO
C[C@@]1(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC[N@H+](Cc2ccccc2)C1	ZINC000804192603	1075636643	/nfs/dbraw/zinc/63/66/43/1075636643.db2.gz	SPVKOMXDQYZEAF-LJQANCHMSA-N	1	1	405.520	1.398	20	0		HDADMO
C[C@@]1(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC[N@@H+](Cc2ccccc2)C1	ZINC000804192603	1075636644	/nfs/dbraw/zinc/63/66/44/1075636644.db2.gz	SPVKOMXDQYZEAF-LJQANCHMSA-N	1	1	405.520	1.398	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)n1	ZINC000448086894	1075641101	/nfs/dbraw/zinc/64/11/01/1075641101.db2.gz	HYZNJKZBKOTECS-MRXNPFEDSA-N	1	1	413.526	1.315	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732165453	1075643608	/nfs/dbraw/zinc/64/36/08/1075643608.db2.gz	GNLZNRXYAOLSLL-OABSHCPFSA-N	1	1	410.518	1.485	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O	ZINC000732149808	1075649456	/nfs/dbraw/zinc/64/94/56/1075649456.db2.gz	QSDAVOBOYCDPTH-QGZVFWFLSA-N	1	1	407.474	1.067	20	0		HDADMO
O=C(NCc1cccc(-c2ccccn2)c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676691311	1075653166	/nfs/dbraw/zinc/65/31/66/1075653166.db2.gz	UKVJGMLAFLJLOP-OAQYLSRUSA-N	1	1	409.534	1.954	20	0		HDADMO
CC(=O)N[C@H]1Cc2ccccc2N(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1	ZINC000676717985	1075654632	/nfs/dbraw/zinc/65/46/32/1075654632.db2.gz	SPVUNDRSVYEERQ-VQTJNVASSA-N	1	1	402.539	1.027	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000732195068	1075656578	/nfs/dbraw/zinc/65/65/78/1075656578.db2.gz	HRWJKVJPBVEPRX-CQSZACIVSA-N	1	1	411.528	1.248	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000732207635	1075665066	/nfs/dbraw/zinc/66/50/66/1075665066.db2.gz	YDNPVQOSBGOISW-LBPRGKRZSA-N	1	1	408.455	1.908	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000732207635	1075665067	/nfs/dbraw/zinc/66/50/67/1075665067.db2.gz	YDNPVQOSBGOISW-LBPRGKRZSA-N	1	1	408.455	1.908	20	0		HDADMO
C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000732209082	1075666315	/nfs/dbraw/zinc/66/63/15/1075666315.db2.gz	FTGOCODBUMXJCC-GPMSIDNRSA-N	1	1	411.506	1.674	20	0		HDADMO
C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000732209082	1075666316	/nfs/dbraw/zinc/66/63/16/1075666316.db2.gz	FTGOCODBUMXJCC-GPMSIDNRSA-N	1	1	411.506	1.674	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)NCc1ccc(N2CCCC2=O)cc1	ZINC000732210060	1075666333	/nfs/dbraw/zinc/66/63/33/1075666333.db2.gz	BQYKKNYXZRIZIJ-FQEVSTJZSA-N	1	1	412.534	1.907	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)NCc1ccc(N2CCCC2=O)cc1	ZINC000732210060	1075666341	/nfs/dbraw/zinc/66/63/41/1075666341.db2.gz	BQYKKNYXZRIZIJ-FQEVSTJZSA-N	1	1	412.534	1.907	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)NCc1ccc(N2CCCC2=O)cc1	ZINC000732210655	1075666784	/nfs/dbraw/zinc/66/67/84/1075666784.db2.gz	BPJPGPSAXQTHCV-NRFANRHFSA-N	1	1	414.550	1.616	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCN(Cc2ccsc2)CC1	ZINC000732210747	1075667220	/nfs/dbraw/zinc/66/72/20/1075667220.db2.gz	KKKGCYZEQRDMRG-LJQANCHMSA-N	1	1	404.580	1.869	20	0		HDADMO
O=C(CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000732211679	1075668090	/nfs/dbraw/zinc/66/80/90/1075668090.db2.gz	LNFIMMNTYJXWGZ-HXUWFJFHSA-N	1	1	400.523	1.939	20	0		HDADMO
CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000732214745	1075669953	/nfs/dbraw/zinc/66/99/53/1075669953.db2.gz	VKJGAGJTZXBOMR-GCJKJVERSA-N	1	1	413.522	1.129	20	0		HDADMO
C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc32)C1	ZINC000488905010	1075671539	/nfs/dbraw/zinc/67/15/39/1075671539.db2.gz	VWTZHRWFSZDVBX-ZFWWWQNUSA-N	1	1	403.870	1.627	20	0		HDADMO
C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc32)C1	ZINC000488905010	1075671541	/nfs/dbraw/zinc/67/15/41/1075671541.db2.gz	VWTZHRWFSZDVBX-ZFWWWQNUSA-N	1	1	403.870	1.627	20	0		HDADMO
C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CN(C)CCO1	ZINC000676740304	1075672260	/nfs/dbraw/zinc/67/22/60/1075672260.db2.gz	UAPYBBZMRFMFSU-YSIASYRMSA-N	1	1	416.566	1.239	20	0		HDADMO
C[N@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)C1CCN(S(C)(=O)=O)CC1	ZINC000469304381	1075672967	/nfs/dbraw/zinc/67/29/67/1075672967.db2.gz	VICAXPCTZPUSPS-UHFFFAOYSA-N	1	1	409.491	1.192	20	0		HDADMO
C[N@@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)C1CCN(S(C)(=O)=O)CC1	ZINC000469304381	1075672968	/nfs/dbraw/zinc/67/29/68/1075672968.db2.gz	VICAXPCTZPUSPS-UHFFFAOYSA-N	1	1	409.491	1.192	20	0		HDADMO
COc1ccc(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1S(=O)(=O)N(C)C	ZINC000507191746	1075677115	/nfs/dbraw/zinc/67/71/15/1075677115.db2.gz	BRBXIGIRJDLIQB-UHFFFAOYSA-N	1	1	421.523	1.487	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000732245025	1075678588	/nfs/dbraw/zinc/67/85/88/1075678588.db2.gz	QRPPVOWAUTWUPI-MRXNPFEDSA-N	1	1	411.547	1.239	20	0		HDADMO
CC[C@H](C)N1CC(=O)N(c2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1=O	ZINC000804205470	1075681224	/nfs/dbraw/zinc/68/12/24/1075681224.db2.gz	GUMVTRSVHOBPEK-INIZCTEOSA-N	1	1	401.511	1.464	20	0		HDADMO
CCc1ccccc1Nc1nc(N)nc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1	ZINC000488678235	1075684677	/nfs/dbraw/zinc/68/46/77/1075684677.db2.gz	NXFCIZGOBHDKLK-INIZCTEOSA-N	1	1	411.554	1.867	20	0		HDADMO
COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1	ZINC000141615299	1075686256	/nfs/dbraw/zinc/68/62/56/1075686256.db2.gz	XDWKGRUKTWXPDJ-KRWDZBQOSA-N	1	1	406.483	1.301	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000804216238	1075690586	/nfs/dbraw/zinc/69/05/86/1075690586.db2.gz	DJIHMQQATFCPTE-IRXDYDNUSA-N	1	1	412.575	1.938	20	0		HDADMO
COCC(C)(C)[N@@H+](C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000429255785	1075692061	/nfs/dbraw/zinc/69/20/61/1075692061.db2.gz	UIPFQRIZXWQOOQ-UHFFFAOYSA-N	1	1	411.547	1.533	20	0		HDADMO
C[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)Cc1ccccc1N1CCOCC1	ZINC000029119774	1075692473	/nfs/dbraw/zinc/69/24/73/1075692473.db2.gz	BNUKBRSCJJOWJU-UHFFFAOYSA-N	1	1	424.545	1.859	20	0		HDADMO
C[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)Cc1ccccc1N1CCOCC1	ZINC000029119774	1075692476	/nfs/dbraw/zinc/69/24/76/1075692476.db2.gz	BNUKBRSCJJOWJU-UHFFFAOYSA-N	1	1	424.545	1.859	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)CNC(=O)OCC(F)(F)F)c2cccs2)CC1	ZINC000732305922	1075694346	/nfs/dbraw/zinc/69/43/46/1075694346.db2.gz	HZMBATJTKMAOIO-GFCCVEGCSA-N	1	1	408.446	1.441	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)[C@H]2C1	ZINC001084996552	1075696295	/nfs/dbraw/zinc/69/62/95/1075696295.db2.gz	NPAHWSFGNKPSIZ-XTRBZBHRSA-N	1	1	400.523	1.304	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)[C@H]2C1	ZINC001084996552	1075696301	/nfs/dbraw/zinc/69/63/01/1075696301.db2.gz	NPAHWSFGNKPSIZ-XTRBZBHRSA-N	1	1	400.523	1.304	20	0		HDADMO
COc1cc(NC(=O)CC[NH+]2CCN(c3nc(N)ns3)CC2)cc(OC)c1OC	ZINC000469211547	1075698370	/nfs/dbraw/zinc/69/83/70/1075698370.db2.gz	NXBBZHPZGHMNPZ-UHFFFAOYSA-N	1	1	422.511	1.297	20	0		HDADMO
C[NH+]1CCN(CC(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1	ZINC000732286293	1075698542	/nfs/dbraw/zinc/69/85/42/1075698542.db2.gz	DSXSPDKLQIBHLX-HNNXBMFYSA-N	1	1	413.362	1.819	20	0		HDADMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1	ZINC000441020151	1075700169	/nfs/dbraw/zinc/70/01/69/1075700169.db2.gz	ZPMQBLITEGOJDZ-CJNGLKHVSA-N	1	1	404.902	1.717	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1	ZINC000547752958	1075701169	/nfs/dbraw/zinc/70/11/69/1075701169.db2.gz	HKNLRSKJYPVOJK-CYBMUJFWSA-N	1	1	407.515	2.577	20	0		HDADMO
CN(C)C(=O)Cn1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1	ZINC000466077134	1075702736	/nfs/dbraw/zinc/70/27/36/1075702736.db2.gz	KZPONHDRWJLBHI-KDOFPFPSSA-N	1	1	404.540	2.237	20	0		HDADMO
CCCS(=O)(=O)N1CCC(Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1	ZINC000554197001	1075703602	/nfs/dbraw/zinc/70/36/02/1075703602.db2.gz	MSVFBNSHRPBIQB-UHFFFAOYSA-N	1	1	409.512	1.267	20	0		HDADMO
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O	ZINC000429466371	1075704552	/nfs/dbraw/zinc/70/45/52/1075704552.db2.gz	YPSGSUIFCZIRPQ-RBSFLKMASA-N	1	1	406.449	1.292	20	0		HDADMO
C[C@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1ccc2n[nH]cc2c1	ZINC000553992166	1075713039	/nfs/dbraw/zinc/71/30/39/1075713039.db2.gz	IHCTYKWNCFWZFA-LRDDRELGSA-N	1	1	410.482	1.618	20	0		HDADMO
C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1ccc2n[nH]cc2c1	ZINC000553992166	1075713048	/nfs/dbraw/zinc/71/30/48/1075713048.db2.gz	IHCTYKWNCFWZFA-LRDDRELGSA-N	1	1	410.482	1.618	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H](C)OC(C)(C)C1	ZINC000509438716	1075716472	/nfs/dbraw/zinc/71/64/72/1075716472.db2.gz	NPLUEECESUODII-ROUUACIJSA-N	1	1	402.539	1.339	20	0		HDADMO
CN(C)CC[N@@H+](C)CCCNc1ncnc2ccc(I)cc21	ZINC000554689625	1075721300	/nfs/dbraw/zinc/72/13/00/1075721300.db2.gz	IACFGXSLKVBVQC-UHFFFAOYSA-N	1	1	413.307	2.530	20	0		HDADMO
CN(CCCNc1ncnc2ccc(I)cc21)CC[NH+](C)C	ZINC000554689625	1075721306	/nfs/dbraw/zinc/72/13/06/1075721306.db2.gz	IACFGXSLKVBVQC-UHFFFAOYSA-N	1	1	413.307	2.530	20	0		HDADMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C	ZINC000556203871	1075722728	/nfs/dbraw/zinc/72/27/28/1075722728.db2.gz	CXAYADMYQCKXOQ-UKRRQHHQSA-N	1	1	415.460	1.960	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)C1	ZINC000466640817	1075730460	/nfs/dbraw/zinc/73/04/60/1075730460.db2.gz	HNPOKXNDNMRGPL-PKOBYXMFSA-N	1	1	419.497	1.216	20	0		HDADMO
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000509442901	1075734410	/nfs/dbraw/zinc/73/44/10/1075734410.db2.gz	VHPVKIQHQCBIJG-PMACEKPBSA-N	1	1	415.582	1.114	20	0		HDADMO
C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)c1nccs1	ZINC000509442921	1075734626	/nfs/dbraw/zinc/73/46/26/1075734626.db2.gz	VJLDSWHOKLKAIN-SJORKVTESA-N	1	1	415.563	1.690	20	0		HDADMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)CC1	ZINC000429474633	1075735462	/nfs/dbraw/zinc/73/54/62/1075735462.db2.gz	XKNTVGNKAUOIBU-AEFFLSMTSA-N	1	1	416.522	1.070	20	0		HDADMO
C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1	ZINC000429474508	1075736168	/nfs/dbraw/zinc/73/61/68/1075736168.db2.gz	UFNBRAVTVUHQTG-SFHVURJKSA-N	1	1	401.555	1.016	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)C[C@H]1C	ZINC000509443091	1075738426	/nfs/dbraw/zinc/73/84/26/1075738426.db2.gz	XDRUJBLWINONRZ-ZCNNSNEGSA-N	1	1	415.582	1.254	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)C[C@H]1C	ZINC000509443091	1075738429	/nfs/dbraw/zinc/73/84/29/1075738429.db2.gz	XDRUJBLWINONRZ-ZCNNSNEGSA-N	1	1	415.582	1.254	20	0		HDADMO
CC(C)[C@H]1C[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1	ZINC000509443110	1075738522	/nfs/dbraw/zinc/73/85/22/1075738522.db2.gz	XHQUGIUCSYNWLJ-SFHLNBCPSA-N	1	1	416.566	1.633	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCSCC[C@H]1C	ZINC000509443308	1075739423	/nfs/dbraw/zinc/73/94/23/1075739423.db2.gz	ZCIPDJAOYRCUMG-QZTJIDSGSA-N	1	1	404.580	1.667	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCSCC[C@@H]1C	ZINC000509443309	1075739473	/nfs/dbraw/zinc/73/94/73/1075739473.db2.gz	ZCIPDJAOYRCUMG-ROUUACIJSA-N	1	1	404.580	1.667	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)C1	ZINC000466640814	1075740615	/nfs/dbraw/zinc/74/06/15/1075740615.db2.gz	HNPOKXNDNMRGPL-HKUYNNGSSA-N	1	1	419.497	1.216	20	0		HDADMO
CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000732449463	1075741205	/nfs/dbraw/zinc/74/12/05/1075741205.db2.gz	SOEMDYYGJMJEEX-GOSISDBHSA-N	1	1	423.558	1.382	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCCC[C@@H]1C1OCCO1	ZINC000732445878	1075747104	/nfs/dbraw/zinc/74/71/04/1075747104.db2.gz	UJMBPNFTFWINRW-LJQANCHMSA-N	1	1	406.502	1.885	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000588704165	1075748583	/nfs/dbraw/zinc/74/85/83/1075748583.db2.gz	LGRVHUUMOZENRT-OKILXGFUSA-N	1	1	415.542	1.214	20	0		HDADMO
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000732459071	1075749677	/nfs/dbraw/zinc/74/96/77/1075749677.db2.gz	NDASBRFCEGZKFV-HOTGVXAUSA-N	1	1	413.563	1.484	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000488990604	1075755482	/nfs/dbraw/zinc/75/54/82/1075755482.db2.gz	WNHPLYRKDUYCQN-IFXJQAMLSA-N	1	1	407.522	1.893	20	0		HDADMO
C[C@H](CNC(=O)NCCCNc1ccc(C(F)(F)F)cn1)CN1CC[NH+](C)CC1	ZINC000465536310	1075756401	/nfs/dbraw/zinc/75/64/01/1075756401.db2.gz	BFHJFTSUIRUACD-OAHLLOKOSA-N	1	1	416.492	2.085	20	0		HDADMO
Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000509264500	1075760929	/nfs/dbraw/zinc/76/09/29/1075760929.db2.gz	QPTVITGKJRXOGE-ZDUSSCGKSA-N	1	1	406.533	1.947	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000471379228	1075760965	/nfs/dbraw/zinc/76/09/65/1075760965.db2.gz	FNYBHRLFVZJXGF-KDURUIRLSA-N	1	1	419.533	1.846	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000467694991	1075765403	/nfs/dbraw/zinc/76/54/03/1075765403.db2.gz	CYLGDFAEPHCNHV-KDOFPFPSSA-N	1	1	407.522	2.035	20	0		HDADMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000567097722	1075766402	/nfs/dbraw/zinc/76/64/02/1075766402.db2.gz	MJGILXWPGWMQMO-AWEZNQCLSA-N	1	1	415.460	1.819	20	0		HDADMO
C[N@@H+](Cc1ccccc1)C1CN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1	ZINC000566905911	1075769175	/nfs/dbraw/zinc/76/91/75/1075769175.db2.gz	GREIQRVKOUQALE-UHFFFAOYSA-N	1	1	408.462	1.725	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000470946051	1075773676	/nfs/dbraw/zinc/77/36/76/1075773676.db2.gz	OJVUAZNUULMXJE-INIZCTEOSA-N	1	1	400.458	1.217	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000470946051	1075773685	/nfs/dbraw/zinc/77/36/85/1075773685.db2.gz	OJVUAZNUULMXJE-INIZCTEOSA-N	1	1	400.458	1.217	20	0		HDADMO
Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1	ZINC000470951312	1075773779	/nfs/dbraw/zinc/77/37/79/1075773779.db2.gz	VQKZFCMLUKAEQW-QGZVFWFLSA-N	1	1	414.535	1.203	20	0		HDADMO
C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1	ZINC000438752518	1075777294	/nfs/dbraw/zinc/77/72/94/1075777294.db2.gz	LDGQWBFLXINIRH-UHFFFAOYSA-N	1	1	418.501	2.329	20	0		HDADMO
CN(C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000509269387	1075783192	/nfs/dbraw/zinc/78/31/92/1075783192.db2.gz	SSQRJDVRELMHSO-HOCLYGCPSA-N	1	1	412.581	1.637	20	0		HDADMO
COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1	ZINC000016340089	1075786026	/nfs/dbraw/zinc/78/60/26/1075786026.db2.gz	DRQHTSSARIPOIK-INIZCTEOSA-N	1	1	419.522	1.452	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC2(CC1)OCCc1ccsc12	ZINC000487033032	1075791796	/nfs/dbraw/zinc/79/17/96/1075791796.db2.gz	LSERMXGZDVQLIY-MRXNPFEDSA-N	1	1	406.552	1.661	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ncoc2-c2ccccc2)C1	ZINC000732576666	1075794298	/nfs/dbraw/zinc/79/42/98/1075794298.db2.gz	LGTXAXLSPYRIDS-QGZVFWFLSA-N	1	1	401.463	1.971	20	0		HDADMO
CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(S(C)(=O)=O)cn2)[C@@H](c2cnn(C)c2)C1	ZINC001129302043	1075795898	/nfs/dbraw/zinc/79/58/98/1075795898.db2.gz	RHBWXNQREPJKKZ-IAGOWNOFSA-N	1	1	405.524	1.671	20	0		HDADMO
C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)C2)C1	ZINC000560150944	1075797456	/nfs/dbraw/zinc/79/74/56/1075797456.db2.gz	DGCQQKMKZMMVRV-LJQANCHMSA-N	1	1	421.423	2.384	20	0		HDADMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	ZINC000732659533	1075819438	/nfs/dbraw/zinc/81/94/38/1075819438.db2.gz	SCLCVLRQLIIMAI-ROUUACIJSA-N	1	1	408.449	1.517	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C1	ZINC000611043331	1075819722	/nfs/dbraw/zinc/81/97/22/1075819722.db2.gz	COYSKXXRXVLJQX-GBESFXJTSA-N	1	1	407.555	1.901	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CSCCC(=O)OC)c2)C[C@H]1C	ZINC000611101048	1075833321	/nfs/dbraw/zinc/83/33/21/1075833321.db2.gz	XHFJGPBFUGBHBA-OAHLLOKOSA-N	1	1	407.536	1.974	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CSCCC(=O)OC)c2)C[C@H]1C	ZINC000611101048	1075833326	/nfs/dbraw/zinc/83/33/26/1075833326.db2.gz	XHFJGPBFUGBHBA-OAHLLOKOSA-N	1	1	407.536	1.974	20	0		HDADMO
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1	ZINC000611102629	1075835192	/nfs/dbraw/zinc/83/51/92/1075835192.db2.gz	VYLWMIMRYXWAAW-GOEBONIOSA-N	1	1	413.478	1.505	20	0		HDADMO
O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000732703054	1075836898	/nfs/dbraw/zinc/83/68/98/1075836898.db2.gz	LECBRTUCLCXEMA-CQSZACIVSA-N	1	1	412.478	1.332	20	0		HDADMO
CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1	ZINC000550605669	1075843675	/nfs/dbraw/zinc/84/36/75/1075843675.db2.gz	OBKOVMCIEBGNBA-UHFFFAOYSA-N	1	1	422.327	2.420	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1	ZINC000032193161	1075844255	/nfs/dbraw/zinc/84/42/55/1075844255.db2.gz	ZJMRXZRJFAHHIJ-UHFFFAOYSA-N	1	1	423.579	1.543	20	0		HDADMO
COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C	ZINC000429294778	1075846704	/nfs/dbraw/zinc/84/67/04/1075846704.db2.gz	RYQURSDGTHMSBH-ROUUACIJSA-N	1	1	405.539	1.951	20	0		HDADMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)c3ccnc4c3nnn4C)CC2)C[C@H](C)O1	ZINC000509290580	1075848827	/nfs/dbraw/zinc/84/88/27/1075848827.db2.gz	WJJDFBDHSNZIEE-GJZGRUSLSA-N	1	1	402.499	1.094	20	0		HDADMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1	ZINC000732766212	1075849030	/nfs/dbraw/zinc/84/90/30/1075849030.db2.gz	UNONGTFKQKJQJS-UHFFFAOYSA-N	1	1	411.572	1.877	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000560200175	1075858535	/nfs/dbraw/zinc/85/85/35/1075858535.db2.gz	YEQNZWKYKVVBPH-SJORKVTESA-N	1	1	411.506	2.324	20	0		HDADMO
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000560200175	1075858540	/nfs/dbraw/zinc/85/85/40/1075858540.db2.gz	YEQNZWKYKVVBPH-SJORKVTESA-N	1	1	411.506	2.324	20	0		HDADMO
COc1ccccc1SC[C@@H](C)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1	ZINC000509295369	1075865711	/nfs/dbraw/zinc/86/57/11/1075865711.db2.gz	TUBIGDLDFIQADW-INIZCTEOSA-N	1	1	408.568	1.887	20	0		HDADMO
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)F)n1)[N@H+]1CCc2ccccc2C1	ZINC000444496034	1075866455	/nfs/dbraw/zinc/86/64/55/1075866455.db2.gz	HGNMELIXHCDCBY-QGZVFWFLSA-N	1	1	419.476	2.286	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(CC(=O)NC(=O)NCc3cccs3)CC2)CC1	ZINC000611181013	1075868195	/nfs/dbraw/zinc/86/81/95/1075868195.db2.gz	AQBLFIJBCGWIKN-UHFFFAOYSA-N	1	1	407.584	1.564	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1	ZINC000611176401	1075869596	/nfs/dbraw/zinc/86/95/96/1075869596.db2.gz	KQENSFDBRFPIIP-UHFFFAOYSA-N	1	1	422.551	1.490	20	0		HDADMO
CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732811299	1075872320	/nfs/dbraw/zinc/87/23/20/1075872320.db2.gz	SDNSFLQYGUMWOD-KRWDZBQOSA-N	1	1	412.456	1.426	20	0		HDADMO
COc1cc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc(OC)c1OC	ZINC000732811131	1075872606	/nfs/dbraw/zinc/87/26/06/1075872606.db2.gz	BKWIKKWIWLWTTP-KRWDZBQOSA-N	1	1	419.522	1.806	20	0		HDADMO
COc1cc(CNC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc(OC)c1OC	ZINC000732811131	1075872610	/nfs/dbraw/zinc/87/26/10/1075872610.db2.gz	BKWIKKWIWLWTTP-KRWDZBQOSA-N	1	1	419.522	1.806	20	0		HDADMO
CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000611209094	1075874170	/nfs/dbraw/zinc/87/41/70/1075874170.db2.gz	ZNVXJGNPMBCAHA-FQEVSTJZSA-N	1	1	405.539	1.539	20	0		HDADMO
COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1	ZINC000732813153	1075874604	/nfs/dbraw/zinc/87/46/04/1075874604.db2.gz	IGBPONVGCKRGFU-UKRRQHHQSA-N	1	1	404.385	1.308	20	0		HDADMO
COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000611198583	1075876314	/nfs/dbraw/zinc/87/63/14/1075876314.db2.gz	UNNJEROHFPDUGU-IRXDYDNUSA-N	1	1	409.552	1.428	20	0		HDADMO
C[C@H](CNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)CN1CC[NH+](C)CC1	ZINC000732838691	1075883340	/nfs/dbraw/zinc/88/33/40/1075883340.db2.gz	JKWDWTBUCHLXPG-CQSZACIVSA-N	1	1	411.572	1.781	20	0		HDADMO
CC[NH+]1CCN(C(=O)CNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1	ZINC000732838962	1075883609	/nfs/dbraw/zinc/88/36/09/1075883609.db2.gz	MLUQBUREXVOMRC-UHFFFAOYSA-N	1	1	411.528	1.062	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000611244142	1075884901	/nfs/dbraw/zinc/88/49/01/1075884901.db2.gz	DOZYENSFMMWIGD-ICSRJNTNSA-N	1	1	419.522	1.017	20	0		HDADMO
CCOC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1	ZINC000611244142	1075884906	/nfs/dbraw/zinc/88/49/06/1075884906.db2.gz	DOZYENSFMMWIGD-ICSRJNTNSA-N	1	1	419.522	1.017	20	0		HDADMO
C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000611244137	1075885092	/nfs/dbraw/zinc/88/50/92/1075885092.db2.gz	DNUKWJQOJVOUEW-CXAGYDPISA-N	1	1	405.474	1.276	20	0		HDADMO
COC(=O)[C@@]1(NCC(=O)N(C)c2nccs2)CCC[N@H+](Cc2ccccc2)C1	ZINC000611265893	1075888966	/nfs/dbraw/zinc/88/89/66/1075888966.db2.gz	OKHXAPFIZRVOJV-HXUWFJFHSA-N	1	1	402.520	1.903	20	0		HDADMO
COC(=O)[C@@]1(NCC(=O)N(C)c2nccs2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611265893	1075888969	/nfs/dbraw/zinc/88/89/69/1075888969.db2.gz	OKHXAPFIZRVOJV-HXUWFJFHSA-N	1	1	402.520	1.903	20	0		HDADMO
COC(=O)[C@]1(NCCN2C(=O)NC(C)(C)C2=O)CCC[N@@H+](Cc2ccccc2)C1	ZINC000611266079	1075888997	/nfs/dbraw/zinc/88/89/97/1075888997.db2.gz	XKCZMAQWWZLOHV-NRFANRHFSA-N	1	1	402.495	1.114	20	0		HDADMO
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCC[NH+]2CCSCC2)CC1	ZINC000732885813	1075892809	/nfs/dbraw/zinc/89/28/09/1075892809.db2.gz	NRAJURVSLONDEJ-UHFFFAOYSA-N	1	1	415.604	1.277	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000611321392	1075899708	/nfs/dbraw/zinc/89/97/08/1075899708.db2.gz	AAQRFCXALXEZDV-MRXNPFEDSA-N	1	1	405.495	1.475	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cn1	ZINC000732897329	1075900036	/nfs/dbraw/zinc/90/00/36/1075900036.db2.gz	VDJOFCVMHQLEIP-KRWDZBQOSA-N	1	1	410.478	1.518	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1	ZINC000611328062	1075907858	/nfs/dbraw/zinc/90/78/58/1075907858.db2.gz	MCDOETRILUAYLD-MSOLQXFVSA-N	1	1	410.559	1.014	20	0		HDADMO
C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000611348768	1075913413	/nfs/dbraw/zinc/91/34/13/1075913413.db2.gz	HTOBQCJLVXWINQ-YUSPZLJHSA-N	1	1	404.555	1.576	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cn1C	ZINC000611361789	1075918933	/nfs/dbraw/zinc/91/89/33/1075918933.db2.gz	RGHQHKHOXKLLED-SFHVURJKSA-N	1	1	412.490	1.873	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000732930864	1075919162	/nfs/dbraw/zinc/91/91/62/1075919162.db2.gz	SNLVTAOQLHATMD-VQTJNVASSA-N	1	1	415.607	1.768	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl	ZINC000611365462	1075919843	/nfs/dbraw/zinc/91/98/43/1075919843.db2.gz	SYJZGMSPUZYLRJ-SJORKVTESA-N	1	1	423.897	1.513	20	0		HDADMO
CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000611365406	1075920186	/nfs/dbraw/zinc/92/01/86/1075920186.db2.gz	OYZSUCYZMGIQRG-LSDHHAIUSA-N	1	1	409.508	1.229	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)[C@@H](C)C1	ZINC000611401389	1075925465	/nfs/dbraw/zinc/92/54/65/1075925465.db2.gz	QMEHBTODCRKHJO-KXBFYZLASA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)[C@@H](C)C1	ZINC000611401389	1075925470	/nfs/dbraw/zinc/92/54/70/1075925470.db2.gz	QMEHBTODCRKHJO-KXBFYZLASA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)[C@@H](C)C1	ZINC000611401536	1075925790	/nfs/dbraw/zinc/92/57/90/1075925790.db2.gz	WGQCMYUBONBYBE-HNAYVOBHSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)[C@@H](C)C1	ZINC000611401536	1075925791	/nfs/dbraw/zinc/92/57/91/1075925791.db2.gz	WGQCMYUBONBYBE-HNAYVOBHSA-N	1	1	407.486	1.676	20	0		HDADMO
COC(=O)[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1	ZINC000611438587	1075934194	/nfs/dbraw/zinc/93/41/94/1075934194.db2.gz	PZUVXTWCKFOTOR-OAQYLSRUSA-N	1	1	409.486	1.771	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1C	ZINC000611456576	1075938698	/nfs/dbraw/zinc/93/86/98/1075938698.db2.gz	YJSKKGJJTDTEHJ-HNNXBMFYSA-N	1	1	410.540	1.170	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000611456083	1075938716	/nfs/dbraw/zinc/93/87/16/1075938716.db2.gz	JZFOUXGBGXAZBG-TXEJJXNPSA-N	1	1	411.524	1.786	20	0		HDADMO
COC(=O)c1csc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C	ZINC000611456083	1075938718	/nfs/dbraw/zinc/93/87/18/1075938718.db2.gz	JZFOUXGBGXAZBG-TXEJJXNPSA-N	1	1	411.524	1.786	20	0		HDADMO
CCOC(=O)c1c2c(sc1NC(=O)C(=O)N1CC[C@H]3CC[N@@H+](C)C[C@@H]31)CCC2	ZINC000611521810	1075951812	/nfs/dbraw/zinc/95/18/12/1075951812.db2.gz	UQDQUIFLDCPVOB-OCCSQVGLSA-N	1	1	405.520	1.905	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1N1C(=O)CCC1=O	ZINC000733047745	1075953495	/nfs/dbraw/zinc/95/34/95/1075953495.db2.gz	HQFZOLQDROGRII-INIZCTEOSA-N	1	1	412.446	1.599	20	0		HDADMO
CC(C)(CO)[NH+]1CCN(C(=O)c2cccc(F)c2I)CC1	ZINC000611515791	1075953569	/nfs/dbraw/zinc/95/35/69/1075953569.db2.gz	FUAWVGYEWRKYNL-UHFFFAOYSA-N	1	1	406.239	1.959	20	0		HDADMO
CCOC(=O)[C@@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)c1ccccc1	ZINC000611546090	1075960254	/nfs/dbraw/zinc/96/02/54/1075960254.db2.gz	VNKVFQFIPGEQAK-KRWDZBQOSA-N	1	1	407.430	1.669	20	0		HDADMO
O=C(NCCCCC[NH+]1CCN(C(=O)c2ccco2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001079163089	1075966277	/nfs/dbraw/zinc/96/62/77/1075966277.db2.gz	QFACIUGQQJVNBY-YSDSKTICSA-N	1	1	401.507	1.747	20	0		HDADMO
Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)no1	ZINC001079252665	1075967686	/nfs/dbraw/zinc/96/76/86/1075967686.db2.gz	MXFYBKXICPOQHL-FYBDHJHVSA-N	1	1	413.518	1.846	20	0		HDADMO
Cc1conc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1	ZINC001079253091	1075968074	/nfs/dbraw/zinc/96/80/74/1075968074.db2.gz	ZYXJTRPNZOMSMC-VJWNIMFCSA-N	1	1	413.518	1.846	20	0		HDADMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1COCCN1CC(F)(F)F	ZINC000506509423	1075976316	/nfs/dbraw/zinc/97/63/16/1075976316.db2.gz	DPMLNKGVTPMRKG-PKOBYXMFSA-N	1	1	415.456	1.345	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)Nc3cccc(C[N@@H+]4CCC[C@H]4C(N)=O)c3)c2C)no1	ZINC000507524506	1075978815	/nfs/dbraw/zinc/97/88/15/1075978815.db2.gz	CRFTYNLIJJRYLC-SFHVURJKSA-N	1	1	423.477	1.633	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)Nc3cccc(C[N@H+]4CCC[C@H]4C(N)=O)c3)c2C)no1	ZINC000507524506	1075978816	/nfs/dbraw/zinc/97/88/16/1075978816.db2.gz	CRFTYNLIJJRYLC-SFHVURJKSA-N	1	1	423.477	1.633	20	0		HDADMO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O	ZINC000733126388	1075978822	/nfs/dbraw/zinc/97/88/22/1075978822.db2.gz	YAYKDSSOYNZHAQ-GHTZIAJQSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O	ZINC000733126388	1075978825	/nfs/dbraw/zinc/97/88/25/1075978825.db2.gz	YAYKDSSOYNZHAQ-GHTZIAJQSA-N	1	1	413.566	1.710	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(N3CCOC3=O)c2)CC1=O	ZINC000733131635	1075980181	/nfs/dbraw/zinc/98/01/81/1075980181.db2.gz	FGBZVCDJISFWLO-MAUKXSAKSA-N	1	1	400.479	1.915	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1=O	ZINC000733146133	1075982697	/nfs/dbraw/zinc/98/26/97/1075982697.db2.gz	FHYJZCIMTNVCNI-SJLPKXTDSA-N	1	1	418.513	1.934	20	0		HDADMO
Cc1c(-c2cc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)on2)cnn1C	ZINC001080159646	1075983608	/nfs/dbraw/zinc/98/36/08/1075983608.db2.gz	NYEFHWJXEPTRTE-QEFWUOTMSA-N	1	1	411.506	1.743	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)OC)C1	ZINC001545676748	1075985923	/nfs/dbraw/zinc/98/59/23/1075985923.db2.gz	JCFPYRHWZWNFHO-HOTGVXAUSA-N	1	1	406.531	1.130	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)OC)C1	ZINC001545676749	1075986075	/nfs/dbraw/zinc/98/60/75/1075986075.db2.gz	JCFPYRHWZWNFHO-HZPDHXFCSA-N	1	1	406.531	1.130	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(C3N=NC(=S)N3C)CC2)CC1=O	ZINC000733151198	1075987372	/nfs/dbraw/zinc/98/73/72/1075987372.db2.gz	BFCFMUKAVHUOJC-CVEARBPZSA-N	1	1	420.583	1.143	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000733154474	1075988550	/nfs/dbraw/zinc/98/85/50/1075988550.db2.gz	HZAAVODXJDGPMW-KRWDZBQOSA-N	1	1	414.554	1.048	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000733154474	1075988551	/nfs/dbraw/zinc/98/85/51/1075988551.db2.gz	HZAAVODXJDGPMW-KRWDZBQOSA-N	1	1	414.554	1.048	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)ccc12	ZINC000733155297	1075988797	/nfs/dbraw/zinc/98/87/97/1075988797.db2.gz	AKQBVIBYIPJELB-LJQANCHMSA-N	1	1	401.507	1.868	20	0		HDADMO
OCC[N@H+](CCN1CCOCC1)Cc1cnn(-c2ccc(Br)cc2)c1	ZINC000510158324	1075989877	/nfs/dbraw/zinc/98/98/77/1075989877.db2.gz	GCJRXHUXEQQPCQ-UHFFFAOYSA-N	1	1	409.328	1.761	20	0		HDADMO
OCC[N@@H+](CCN1CCOCC1)Cc1cnn(-c2ccc(Br)cc2)c1	ZINC000510158324	1075989882	/nfs/dbraw/zinc/98/98/82/1075989882.db2.gz	GCJRXHUXEQQPCQ-UHFFFAOYSA-N	1	1	409.328	1.761	20	0		HDADMO
CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000510280608	1075990209	/nfs/dbraw/zinc/99/02/09/1075990209.db2.gz	BQXKFMGICLVKQK-CVEARBPZSA-N	1	1	418.504	1.662	20	0		HDADMO
CC(C)[N@@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001080640424	1075991164	/nfs/dbraw/zinc/99/11/64/1075991164.db2.gz	LPVRQTQAINDZNB-IYWGDAJJSA-N	1	1	403.567	1.981	20	0		HDADMO
C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1	ZINC000513261355	1076004876	/nfs/dbraw/zinc/00/48/76/1076004876.db2.gz	MZDXGVQHDMUHMS-FPOVZHCZSA-N	1	1	414.550	1.073	20	0		HDADMO
Cc1cc(Cn2nnc(C(=O)NC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2C)no1	ZINC000513689276	1076006614	/nfs/dbraw/zinc/00/66/14/1076006614.db2.gz	BEXWWMMPAPZVPX-NRFANRHFSA-N	1	1	410.478	1.298	20	0		HDADMO
COC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1	ZINC000733185051	1076012497	/nfs/dbraw/zinc/01/24/97/1076012497.db2.gz	PKUXCHRIYWLPLV-VFNWGFHPSA-N	1	1	416.478	1.726	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1	ZINC000733185051	1076012502	/nfs/dbraw/zinc/01/25/02/1076012502.db2.gz	PKUXCHRIYWLPLV-VFNWGFHPSA-N	1	1	416.478	1.726	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCC[N@H+]3CCC[C@H](C)C3)C2)no1	ZINC000513995585	1076014310	/nfs/dbraw/zinc/01/43/10/1076014310.db2.gz	YNORKLFFTFVWME-DOTOQJQBSA-N	1	1	406.531	1.496	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)no1	ZINC000514019446	1076015978	/nfs/dbraw/zinc/01/59/78/1076015978.db2.gz	DTFRRXNACDSEKL-NVXWUHKLSA-N	1	1	404.515	1.249	20	0		HDADMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N(Cc3noc(CC)n3)C(C)=O)C2)C1	ZINC000514029847	1076016891	/nfs/dbraw/zinc/01/68/91/1076016891.db2.gz	XDHVKRFYCHUEOR-DLBZAZTESA-N	1	1	406.531	1.496	20	0		HDADMO
CO[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081974964	1076021151	/nfs/dbraw/zinc/02/11/51/1076021151.db2.gz	KCHJWRXCXNSKQN-QXDIGNSFSA-N	1	1	402.482	1.679	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O	ZINC000733273183	1076026707	/nfs/dbraw/zinc/02/67/07/1076026707.db2.gz	ONSNAGGMBXQCMY-OAHLLOKOSA-N	1	1	405.520	1.988	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)cn1	ZINC000727038296	1076031828	/nfs/dbraw/zinc/03/18/28/1076031828.db2.gz	NLTRXVYTWSJNSX-UHFFFAOYSA-N	1	1	402.418	1.411	20	0		HDADMO
CC(C)[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1	ZINC000733294778	1076040948	/nfs/dbraw/zinc/04/09/48/1076040948.db2.gz	CCTWPBLJUAEGLJ-IRXDYDNUSA-N	1	1	410.559	1.801	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000727088298	1076041622	/nfs/dbraw/zinc/04/16/22/1076041622.db2.gz	DYZOEXJQILMZEA-HNNXBMFYSA-N	1	1	414.597	1.724	20	0		HDADMO
CO[C@@H](CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(F)(F)F	ZINC000733357217	1076051180	/nfs/dbraw/zinc/05/11/80/1076051180.db2.gz	QYLICFGWZZISMB-CVEARBPZSA-N	1	1	416.444	1.760	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1=O	ZINC000733359057	1076051481	/nfs/dbraw/zinc/05/14/81/1076051481.db2.gz	XIRICDIMVDGBFC-XLIONFOSSA-N	1	1	414.550	1.919	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](O)COc2cccc(F)c2)CC1=O	ZINC000733358859	1076051516	/nfs/dbraw/zinc/05/15/16/1076051516.db2.gz	NWPNWFPKNJYPOK-JQHSSLGASA-N	1	1	407.486	1.014	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)c1	ZINC000733370781	1076057918	/nfs/dbraw/zinc/05/79/18/1076057918.db2.gz	OJVDEBBVYHXICE-KRWDZBQOSA-N	1	1	420.466	1.175	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)c1	ZINC000733370781	1076057923	/nfs/dbraw/zinc/05/79/23/1076057923.db2.gz	OJVDEBBVYHXICE-KRWDZBQOSA-N	1	1	420.466	1.175	20	0		HDADMO
CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CC1	ZINC000053944563	1076060316	/nfs/dbraw/zinc/06/03/16/1076060316.db2.gz	NTTULNXRJGJEDC-SDOQWUHBSA-N	1	1	416.610	1.900	20	0		HDADMO
Cc1cc(CN2CCN(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2)no1	ZINC000054976489	1076065376	/nfs/dbraw/zinc/06/53/76/1076065376.db2.gz	VKIGUYNRJPGGEX-UHFFFAOYSA-N	1	1	413.522	1.843	20	0		HDADMO
C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1	ZINC000022057213	1076089587	/nfs/dbraw/zinc/08/95/87/1076089587.db2.gz	KFJLWTUVMPMBLO-MRXNPFEDSA-N	1	1	423.535	1.023	20	0		HDADMO
Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CN(C)C(=O)C3CC3)CC2)cc1	ZINC000733517591	1076093711	/nfs/dbraw/zinc/09/37/11/1076093711.db2.gz	ROAHPTNQJLKGAR-UHFFFAOYSA-N	1	1	401.507	1.441	20	0		HDADMO
COC(=O)N[C@H](C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C	ZINC000733554174	1076097028	/nfs/dbraw/zinc/09/70/28/1076097028.db2.gz	JRQNMJRPOAXAKK-LPHOPBHVSA-N	1	1	405.495	1.816	20	0		HDADMO
Cc1occc1C(=O)NC1CC[NH+](CC(=O)NC2CCC3(CC2)OCCO3)CC1	ZINC000727436735	1076120027	/nfs/dbraw/zinc/12/00/27/1076120027.db2.gz	ICDKTRAQQIMQKB-UHFFFAOYSA-N	1	1	405.495	1.584	20	0		HDADMO
COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cn(C)nc3C)CC2)cc1	ZINC000733607981	1076125479	/nfs/dbraw/zinc/12/54/79/1076125479.db2.gz	LDONCKQQNXIIGY-UHFFFAOYSA-N	1	1	400.479	1.628	20	0		HDADMO
C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C	ZINC000733642813	1076137422	/nfs/dbraw/zinc/13/74/22/1076137422.db2.gz	APJGHLIJKFGQSW-IYBDPMFKSA-N	1	1	411.547	1.190	20	0		HDADMO
COC(=O)N1CCC[C@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1	ZINC000733646889	1076139531	/nfs/dbraw/zinc/13/95/31/1076139531.db2.gz	NTVXRWZERJIDLS-IBGZPJMESA-N	1	1	419.526	1.546	20	0		HDADMO
CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000733667444	1076146942	/nfs/dbraw/zinc/14/69/42/1076146942.db2.gz	ZJLDGFNDDOGYLW-UHFFFAOYSA-N	1	1	421.929	1.111	20	0		HDADMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1	ZINC000733668007	1076148696	/nfs/dbraw/zinc/14/86/96/1076148696.db2.gz	AJXXNDVXUZKCKA-GOSISDBHSA-N	1	1	402.495	1.958	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(SC(F)F)c2)CC1	ZINC000727614440	1076182790	/nfs/dbraw/zinc/18/27/90/1076182790.db2.gz	HGSJHEOMURSSBN-UHFFFAOYSA-N	1	1	400.451	1.220	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C3Cc4ccccc4C3)C2=O)c1	ZINC000733794169	1076214681	/nfs/dbraw/zinc/21/46/81/1076214681.db2.gz	NGRILUSOTSBZQT-QHCPKHFHSA-N	1	1	422.485	1.593	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C3Cc4ccccc4C3)C2=O)c1	ZINC000733794169	1076214684	/nfs/dbraw/zinc/21/46/84/1076214684.db2.gz	NGRILUSOTSBZQT-QHCPKHFHSA-N	1	1	422.485	1.593	20	0		HDADMO
COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C3CC3)C3CCCC3)C2=O)c1	ZINC000733793778	1076215130	/nfs/dbraw/zinc/21/51/30/1076215130.db2.gz	WZPNQLPRFDWFJZ-NRFANRHFSA-N	1	1	400.479	1.900	20	0		HDADMO
O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[NH+](CCc2ccccc2)CC1	ZINC000727753694	1076227375	/nfs/dbraw/zinc/22/73/75/1076227375.db2.gz	OYGFDUTVOJEQKI-IBGZPJMESA-N	1	1	400.504	1.103	20	0		HDADMO
O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[NH+](CCc2ccccc2)CC1	ZINC000727753695	1076227447	/nfs/dbraw/zinc/22/74/47/1076227447.db2.gz	OYGFDUTVOJEQKI-LJQANCHMSA-N	1	1	400.504	1.103	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1	ZINC000727754907	1076229216	/nfs/dbraw/zinc/22/92/16/1076229216.db2.gz	JUUQZASHPPNFIM-FQEVSTJZSA-N	1	1	414.531	1.759	20	0		HDADMO
C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)CN1CC[NH+](C)CC1	ZINC000733882693	1076238076	/nfs/dbraw/zinc/23/80/76/1076238076.db2.gz	VCKCNZHEYBIHIZ-CYBMUJFWSA-N	1	1	407.458	1.593	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000533000501	1076240974	/nfs/dbraw/zinc/24/09/74/1076240974.db2.gz	CPWLTFHKJJJJID-VQIMIIECSA-N	1	1	413.522	1.982	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000533000501	1076240977	/nfs/dbraw/zinc/24/09/77/1076240977.db2.gz	CPWLTFHKJJJJID-VQIMIIECSA-N	1	1	413.522	1.982	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)C2)no1	ZINC000533127676	1076241626	/nfs/dbraw/zinc/24/16/26/1076241626.db2.gz	QGZHJSCCPNIEJN-SJORKVTESA-N	1	1	406.531	1.495	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1	ZINC000533830886	1076245591	/nfs/dbraw/zinc/24/55/91/1076245591.db2.gz	LDTNRZIFLBUGQC-HXUWFJFHSA-N	1	1	417.531	1.836	20	0		HDADMO
COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1	ZINC000533830886	1076245595	/nfs/dbraw/zinc/24/55/95/1076245595.db2.gz	LDTNRZIFLBUGQC-HXUWFJFHSA-N	1	1	417.531	1.836	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1	ZINC000534530685	1076247412	/nfs/dbraw/zinc/24/74/12/1076247412.db2.gz	HCJLKAAHZOABRY-HXUWFJFHSA-N	1	1	421.501	1.245	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1	ZINC000534530685	1076247417	/nfs/dbraw/zinc/24/74/17/1076247417.db2.gz	HCJLKAAHZOABRY-HXUWFJFHSA-N	1	1	421.501	1.245	20	0		HDADMO
CCc1c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000534540245	1076247826	/nfs/dbraw/zinc/24/78/26/1076247826.db2.gz	GKRCJEPAWWRGMA-KRWDZBQOSA-N	1	1	407.474	1.111	20	0		HDADMO
CCc1c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000534540245	1076247829	/nfs/dbraw/zinc/24/78/29/1076247829.db2.gz	GKRCJEPAWWRGMA-KRWDZBQOSA-N	1	1	407.474	1.111	20	0		HDADMO
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000534560024	1076248958	/nfs/dbraw/zinc/24/89/58/1076248958.db2.gz	RHJDQEQUOSDCFE-LEWJYISDSA-N	1	1	410.518	1.846	20	0		HDADMO
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000534560024	1076248961	/nfs/dbraw/zinc/24/89/61/1076248961.db2.gz	RHJDQEQUOSDCFE-LEWJYISDSA-N	1	1	410.518	1.846	20	0		HDADMO
C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1	ZINC000733888542	1076250277	/nfs/dbraw/zinc/25/02/77/1076250277.db2.gz	GEZDXAJBCYUPKK-HRAATJIYSA-N	1	1	417.531	1.872	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000536035084	1076254161	/nfs/dbraw/zinc/25/41/61/1076254161.db2.gz	FJQULPBZWPPKCU-UXHICEINSA-N	1	1	400.523	1.003	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000536035084	1076254165	/nfs/dbraw/zinc/25/41/65/1076254165.db2.gz	FJQULPBZWPPKCU-UXHICEINSA-N	1	1	400.523	1.003	20	0		HDADMO
Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1S(=O)(=O)N1CCCCC1	ZINC001168767232	1076255438	/nfs/dbraw/zinc/25/54/38/1076255438.db2.gz	ZBBMVNOXRDIIQB-CRAIPNDOSA-N	1	1	409.552	1.811	20	0		HDADMO
Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1S(=O)(=O)N1CCCCC1	ZINC001168767232	1076255440	/nfs/dbraw/zinc/25/54/40/1076255440.db2.gz	ZBBMVNOXRDIIQB-CRAIPNDOSA-N	1	1	409.552	1.811	20	0		HDADMO
CCOC(=O)C1=C(C[NH2+]C2(C(=O)NC)CCCC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000733896505	1076256412	/nfs/dbraw/zinc/25/64/12/1076256412.db2.gz	GFLADWNZSFPLBR-QGZVFWFLSA-N	1	1	400.479	1.506	20	0		HDADMO
CC(=O)N1CCN(c2ccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])CC1	ZINC000142164953	1076256590	/nfs/dbraw/zinc/25/65/90/1076256590.db2.gz	QOOOXUGDGQDDMB-SFHVURJKSA-N	1	1	415.494	1.574	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H](O)CN(C)[C@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1	ZINC000536746886	1076256874	/nfs/dbraw/zinc/25/68/74/1076256874.db2.gz	CQJZBSBBZHSCKY-GFOFROLCSA-N	1	1	414.344	1.377	20	0		HDADMO
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NCCC(=O)N1CC[NH+](C)CC1	ZINC000733975432	1076280454	/nfs/dbraw/zinc/28/04/54/1076280454.db2.gz	VORHTQQZYMNISG-UHFFFAOYSA-N	1	1	413.474	1.873	20	0		HDADMO
CC(C)NC(=O)CNC(=S)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000727978804	1076302164	/nfs/dbraw/zinc/30/21/64/1076302164.db2.gz	BOQDGJVCSWWZBV-UHFFFAOYSA-N	1	1	422.595	1.665	20	0		HDADMO
Cn1nc(Br)c2c1ncn(C[C@@H](O)C[N@H+]1CCc3ccccc3C1)c2=O	ZINC000728066565	1076315463	/nfs/dbraw/zinc/31/54/63/1076315463.db2.gz	RHWPXGYQQVBFOF-AWEZNQCLSA-N	1	1	418.295	1.312	20	0		HDADMO
COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)cc(C(=O)OC)c1	ZINC000728053152	1076321200	/nfs/dbraw/zinc/32/12/00/1076321200.db2.gz	IURASCTXHHZQRH-KBPBESRZSA-N	1	1	420.462	1.672	20	0		HDADMO
COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)cc(C(=O)OC)c1	ZINC000728053152	1076321204	/nfs/dbraw/zinc/32/12/04/1076321204.db2.gz	IURASCTXHHZQRH-KBPBESRZSA-N	1	1	420.462	1.672	20	0		HDADMO
C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc2)CC1	ZINC000728144471	1076344015	/nfs/dbraw/zinc/34/40/15/1076344015.db2.gz	BJDHVWTWQCKOPO-UHFFFAOYSA-N	1	1	403.527	1.188	20	0		HDADMO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000027362337	1076359299	/nfs/dbraw/zinc/35/92/99/1076359299.db2.gz	HLQLQAQVQHYAJM-ZDUSSCGKSA-N	1	1	413.521	1.053	20	0		HDADMO
CCOc1ccc(C[NH+]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000027568880	1076360421	/nfs/dbraw/zinc/36/04/21/1076360421.db2.gz	BDGUCDLHEXSBRX-UHFFFAOYSA-N	1	1	419.547	1.929	20	0		HDADMO
CCOc1ccc(CN2CC[NH+](CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000027568880	1076360426	/nfs/dbraw/zinc/36/04/26/1076360426.db2.gz	BDGUCDLHEXSBRX-UHFFFAOYSA-N	1	1	419.547	1.929	20	0		HDADMO
Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)CC1	ZINC000728172291	1076364580	/nfs/dbraw/zinc/36/45/80/1076364580.db2.gz	AREUPRWYASYKFF-FQEVSTJZSA-N	1	1	415.534	1.943	20	0		HDADMO
Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)CC1	ZINC000728172291	1076364585	/nfs/dbraw/zinc/36/45/85/1076364585.db2.gz	AREUPRWYASYKFF-FQEVSTJZSA-N	1	1	415.534	1.943	20	0		HDADMO
C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000728173898	1076365047	/nfs/dbraw/zinc/36/50/47/1076365047.db2.gz	XTTOGTPMTWSVBZ-HUUCEWRRSA-N	1	1	420.514	1.157	20	0		HDADMO
C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000728173898	1076365054	/nfs/dbraw/zinc/36/50/54/1076365054.db2.gz	XTTOGTPMTWSVBZ-HUUCEWRRSA-N	1	1	420.514	1.157	20	0		HDADMO
Cc1cccc(OCC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)c1	ZINC001084540514	1076370426	/nfs/dbraw/zinc/37/04/26/1076370426.db2.gz	HICSDRZMAWFIRB-OCFWJZSCSA-N	1	1	400.519	1.958	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)C1	ZINC000729980166	1076405044	/nfs/dbraw/zinc/40/50/44/1076405044.db2.gz	MLYXATAJMIDZKU-MCRQTXEHSA-N	1	1	400.483	1.215	20	0		HDADMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1	ZINC000729984066	1076407477	/nfs/dbraw/zinc/40/74/77/1076407477.db2.gz	VQUNBEXVRXQAFP-CQSZACIVSA-N	1	1	403.932	1.431	20	0		HDADMO
O=C(CN1Cc2ccccc2C1=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000730052953	1076428424	/nfs/dbraw/zinc/42/84/24/1076428424.db2.gz	UAUKZYPSUUQJSC-UHFFFAOYSA-N	1	1	407.470	1.530	20	0		HDADMO
O=C(c1cn(-c2ccccc2Br)nn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000730087600	1076441371	/nfs/dbraw/zinc/44/13/71/1076441371.db2.gz	WNGWOCJSVZTTTH-DLBZAZTESA-N	1	1	420.311	1.701	20	0		HDADMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1	ZINC000730129941	1076459510	/nfs/dbraw/zinc/45/95/10/1076459510.db2.gz	GJVPDKUDKJGJFF-CZUORRHYSA-N	1	1	404.433	1.554	20	0		HDADMO
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000730218262	1076480497	/nfs/dbraw/zinc/48/04/97/1076480497.db2.gz	HGHLERYSZOQZFM-DLBZAZTESA-N	1	1	408.543	1.717	20	0		HDADMO
O=C([C@H]1Cc2ccccc2C(=O)O1)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000730219653	1076480794	/nfs/dbraw/zinc/48/07/94/1076480794.db2.gz	JLTZGPFBLMRKMV-OAQYLSRUSA-N	1	1	409.486	1.914	20	0		HDADMO
COC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O	ZINC000730251474	1076498213	/nfs/dbraw/zinc/49/82/13/1076498213.db2.gz	HVCUSJXXULOIHJ-KKSFZXQISA-N	1	1	403.479	1.923	20	0		HDADMO
COC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O	ZINC000730251474	1076498215	/nfs/dbraw/zinc/49/82/15/1076498215.db2.gz	HVCUSJXXULOIHJ-KKSFZXQISA-N	1	1	403.479	1.923	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1	ZINC000730255502	1076500369	/nfs/dbraw/zinc/50/03/69/1076500369.db2.gz	YBANZKVYMNTUBX-KKSFZXQISA-N	1	1	402.495	1.483	20	0		HDADMO
COc1ccc(C[C@]2(C)NC(=O)N(C[N@H+]3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1	ZINC000730255502	1076500376	/nfs/dbraw/zinc/50/03/76/1076500376.db2.gz	YBANZKVYMNTUBX-KKSFZXQISA-N	1	1	402.495	1.483	20	0		HDADMO
C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000730261591	1076502449	/nfs/dbraw/zinc/50/24/49/1076502449.db2.gz	OAMHNNQAEJQOPP-HZUJVAHNSA-N	1	1	402.495	1.196	20	0		HDADMO
C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000730261591	1076502455	/nfs/dbraw/zinc/50/24/55/1076502455.db2.gz	OAMHNNQAEJQOPP-HZUJVAHNSA-N	1	1	402.495	1.196	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1	ZINC000730263178	1076505797	/nfs/dbraw/zinc/50/57/97/1076505797.db2.gz	QJMQKVUJOWLIBJ-QGZVFWFLSA-N	1	1	404.511	1.490	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1	ZINC000730263178	1076505804	/nfs/dbraw/zinc/50/58/04/1076505804.db2.gz	QJMQKVUJOWLIBJ-QGZVFWFLSA-N	1	1	404.511	1.490	20	0		HDADMO
C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2CC(=O)N(c3cnn(C)c3)C2=O)CC1	ZINC000730270615	1076516149	/nfs/dbraw/zinc/51/61/49/1076516149.db2.gz	FAEMKYSNGQVXOF-XJKSGUPXSA-N	1	1	405.499	1.677	20	0		HDADMO
Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1	ZINC000730277312	1076519746	/nfs/dbraw/zinc/51/97/46/1076519746.db2.gz	NUONHLRJSFPKBF-CQSZACIVSA-N	1	1	407.518	1.984	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000730559946	1076595028	/nfs/dbraw/zinc/59/50/28/1076595028.db2.gz	OJTWOTVMFUITAV-WUQYLLKWSA-N	1	1	420.579	1.700	20	0		HDADMO
COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1C	ZINC000730562924	1076603731	/nfs/dbraw/zinc/60/37/31/1076603731.db2.gz	MLBFHLFEWKAXFI-SFHVURJKSA-N	1	1	420.554	1.677	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1	ZINC000730575432	1076608384	/nfs/dbraw/zinc/60/83/84/1076608384.db2.gz	PBXHLGXZJQMDKJ-KRWDZBQOSA-N	1	1	405.520	1.584	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(-c3ncon3)cc2)C1	ZINC000730626682	1076615417	/nfs/dbraw/zinc/61/54/17/1076615417.db2.gz	XDRWXANYZKKCAA-KRWDZBQOSA-N	1	1	402.451	1.366	20	0		HDADMO
O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000730774081	1076650280	/nfs/dbraw/zinc/65/02/80/1076650280.db2.gz	SJYVLSPJVYSGFZ-ULQDDVLXSA-N	1	1	420.897	1.524	20	0		HDADMO
COCC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccco2)C1	ZINC000730785638	1076657538	/nfs/dbraw/zinc/65/75/38/1076657538.db2.gz	CSOLKAOMJLWFCC-CQSZACIVSA-N	1	1	417.462	2.000	20	0		HDADMO
COCC[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1	ZINC000730787007	1076657926	/nfs/dbraw/zinc/65/79/26/1076657926.db2.gz	JUXHPTCAXKBOLM-INIZCTEOSA-N	1	1	413.515	1.451	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1	ZINC000730906240	1076681063	/nfs/dbraw/zinc/68/10/63/1076681063.db2.gz	REPCTSRDNTWFDS-OAHLLOKOSA-N	1	1	402.417	1.202	20	0		HDADMO
CC(C)[C@@H](CNC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1	ZINC000730904818	1076688413	/nfs/dbraw/zinc/68/84/13/1076688413.db2.gz	FBEKCVLRLGVXNQ-QZTJIDSGSA-N	1	1	411.591	1.957	20	0		HDADMO
CC[N@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1	ZINC000730936451	1076696360	/nfs/dbraw/zinc/69/63/60/1076696360.db2.gz	LFTKFDJEDXFSRZ-AWEZNQCLSA-N	1	1	415.943	1.433	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1	ZINC000730938289	1076697933	/nfs/dbraw/zinc/69/79/33/1076697933.db2.gz	XBGLAXQAOMMNKO-UHFFFAOYSA-N	1	1	421.494	1.239	20	0		HDADMO
NS(=O)(=O)c1ccc(CC[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1	ZINC000730938116	1076698145	/nfs/dbraw/zinc/69/81/45/1076698145.db2.gz	SPVOACNCBNNEOK-UHFFFAOYSA-N	1	1	405.495	1.864	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNS(=O)(=O)c3ccc(Cl)nc3)c2)C1	ZINC000731037447	1076715821	/nfs/dbraw/zinc/71/58/21/1076715821.db2.gz	MRMGGUZIRMTVHM-INIZCTEOSA-N	1	1	422.938	1.911	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)CC2)CC1	ZINC000731181030	1076745501	/nfs/dbraw/zinc/74/55/01/1076745501.db2.gz	ZKRHXMBAABYOHA-NRFANRHFSA-N	1	1	412.534	1.972	20	0		HDADMO
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)CC1	ZINC000731212233	1076746782	/nfs/dbraw/zinc/74/67/82/1076746782.db2.gz	ALUGVIATZGAYFW-SFHVURJKSA-N	1	1	422.570	1.694	20	0		HDADMO
CCOC(=O)N[C@H](C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)C(C)C	ZINC000731201949	1076752514	/nfs/dbraw/zinc/75/25/14/1076752514.db2.gz	YIKNIDABKFVLPB-IBGZPJMESA-N	1	1	410.559	1.550	20	0		HDADMO
COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc2ncc(Br)cn2n1	ZINC001197303304	1126154012	/nfs/dbraw/zinc/15/40/12/1126154012.db2.gz	DCGUPVDYRJCZJU-KRWDZBQOSA-N	1	1	406.284	1.979	20	0		HDADMO
COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4[nH]cc(F)c43)CC2)C1=O	ZINC001164635842	719267751	/nfs/dbraw/zinc/26/77/51/719267751.db2.gz	IOMHSUGJJNQODR-UHFFFAOYSA-N	1	1	410.881	1.510	20	0		HDADMO
COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4[nH]cc(F)c43)CC2)C1=O	ZINC001164635842	719267755	/nfs/dbraw/zinc/26/77/55/719267755.db2.gz	IOMHSUGJJNQODR-UHFFFAOYSA-N	1	1	410.881	1.510	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)n2)CC1	ZINC001164656945	719294930	/nfs/dbraw/zinc/29/49/30/719294930.db2.gz	ZRZHRKJSQCNUTB-DYXWJJEUSA-N	1	1	410.522	1.576	20	0		HDADMO
C[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)C[C@H]21	ZINC001164671498	719410242	/nfs/dbraw/zinc/41/02/42/719410242.db2.gz	PSIJYTPCHXXACQ-MSOLQXFVSA-N	1	1	402.520	1.857	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1	ZINC001164672363	719420922	/nfs/dbraw/zinc/42/09/22/719420922.db2.gz	QXKUGCXELGCZBN-ZWKOTPCHSA-N	1	1	418.519	1.800	20	0		HDADMO
CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1	ZINC001164672363	719420931	/nfs/dbraw/zinc/42/09/31/719420931.db2.gz	QXKUGCXELGCZBN-ZWKOTPCHSA-N	1	1	418.519	1.800	20	0		HDADMO
Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C	ZINC000301638449	719441483	/nfs/dbraw/zinc/44/14/83/719441483.db2.gz	FRMNTTAOUPDAIF-JKSUJKDBSA-N	1	1	403.552	1.660	20	0		HDADMO
C[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)C[C@H]21	ZINC001164668131	719460143	/nfs/dbraw/zinc/46/01/43/719460143.db2.gz	OAVFXLQHRJPUKR-SJORKVTESA-N	1	1	410.446	1.680	20	0		HDADMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(S(N)(=O)=O)nn2)CC3)cs1	ZINC001164693633	719814989	/nfs/dbraw/zinc/81/49/89/719814989.db2.gz	XGSKHIWVCOYSIS-UHFFFAOYSA-N	1	1	408.553	1.524	20	0		HDADMO
COCCn1ccc2c1ncnc2N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC	ZINC001164701872	719857260	/nfs/dbraw/zinc/85/72/60/719857260.db2.gz	LIASVHKQACVAIY-IERDGZPVSA-N	1	1	417.510	1.310	20	0		HDADMO
C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1)C1CC1	ZINC001164701608	719884499	/nfs/dbraw/zinc/88/44/99/719884499.db2.gz	NWDXAYNQCKYEKP-QRQLOZEOSA-N	1	1	408.506	1.803	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(N3CCOCC3)n1)C2	ZINC001164812280	720088794	/nfs/dbraw/zinc/08/87/94/720088794.db2.gz	QFDCFWNCFLAMEM-OXJNMPFZSA-N	1	1	422.961	1.546	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2	ZINC001164814137	720096985	/nfs/dbraw/zinc/09/69/85/720096985.db2.gz	VOLCLEXMMKCYBX-MGPUTAFESA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)C2	ZINC001164814137	720096996	/nfs/dbraw/zinc/09/69/96/720096996.db2.gz	VOLCLEXMMKCYBX-MGPUTAFESA-N	1	1	419.551	1.546	20	0		HDADMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)C2	ZINC001164814137	720097007	/nfs/dbraw/zinc/09/70/07/720097007.db2.gz	VOLCLEXMMKCYBX-MGPUTAFESA-N	1	1	419.551	1.546	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC	ZINC001164807936	720137731	/nfs/dbraw/zinc/13/77/31/720137731.db2.gz	CZOVGABZKMVBIN-FXAWDEMLSA-N	1	1	408.568	1.565	20	0		HDADMO
CCOC(=O)c1cc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)ncc1Cl	ZINC001164720368	720218333	/nfs/dbraw/zinc/21/83/33/720218333.db2.gz	ZMJUAAFMWVKAAF-FQEVSTJZSA-N	1	1	424.929	1.577	20	0		HDADMO
CCOC(=O)c1cc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ncc1Cl	ZINC001164720368	720218336	/nfs/dbraw/zinc/21/83/36/720218336.db2.gz	ZMJUAAFMWVKAAF-FQEVSTJZSA-N	1	1	424.929	1.577	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)OC)c(Cl)cn3)C2)C1	ZINC001164720312	720218691	/nfs/dbraw/zinc/21/86/91/720218691.db2.gz	YFUXUNCNDHBICY-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)OC)c(Cl)cn3)C2)C1	ZINC001164720312	720218699	/nfs/dbraw/zinc/21/86/99/720218699.db2.gz	YFUXUNCNDHBICY-IBGZPJMESA-N	1	1	410.902	1.186	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cccnc43)C2)C1	ZINC001164717791	720226852	/nfs/dbraw/zinc/22/68/52/720226852.db2.gz	IJSZJZLPSCVJDB-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cccnc43)C2)C1	ZINC001164717791	720226855	/nfs/dbraw/zinc/22/68/55/720226855.db2.gz	IJSZJZLPSCVJDB-IBGZPJMESA-N	1	1	404.902	1.343	20	0		HDADMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(N3CCOCC3)n1)CCC2	ZINC001164812111	720229197	/nfs/dbraw/zinc/22/91/97/720229197.db2.gz	BHLWXDMKGGFACV-UHFFFAOYSA-N	1	1	413.526	1.120	20	0		HDADMO
CCOC(=O)c1cc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)ncc1C	ZINC001164720478	720257021	/nfs/dbraw/zinc/25/70/21/720257021.db2.gz	XDMPYDSNHPLLMQ-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CCOC(=O)c1cc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ncc1C	ZINC001164720478	720257029	/nfs/dbraw/zinc/25/70/29/720257029.db2.gz	XDMPYDSNHPLLMQ-NRFANRHFSA-N	1	1	404.511	1.232	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C(OC)OC)C2)C1	ZINC001164721996	720272374	/nfs/dbraw/zinc/27/23/74/720272374.db2.gz	ODZYPKBEPKBPIK-NRFANRHFSA-N	1	1	406.527	1.346	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C(OC)OC)C2)C1	ZINC001164721996	720272381	/nfs/dbraw/zinc/27/23/81/720272381.db2.gz	ODZYPKBEPKBPIK-NRFANRHFSA-N	1	1	406.527	1.346	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(C)(C)C)nc4[nH]ccc43)C2)C1	ZINC001164720981	720277463	/nfs/dbraw/zinc/27/74/63/720277463.db2.gz	GPQHSAUEJOVNOJ-QFIPXVFZSA-N	1	1	414.554	1.920	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(C)(C)C)nc4[nH]ccc43)C2)C1	ZINC001164720981	720277477	/nfs/dbraw/zinc/27/74/77/720277477.db2.gz	GPQHSAUEJOVNOJ-QFIPXVFZSA-N	1	1	414.554	1.920	20	0		HDADMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(-c4ccc(F)cc4)n3)C2)C1	ZINC001164725002	720304957	/nfs/dbraw/zinc/30/49/57/720304957.db2.gz	USQNMHXUFCOMCG-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(-c4ccc(F)cc4)n3)C2)C1	ZINC001164725002	720304964	/nfs/dbraw/zinc/30/49/64/720304964.db2.gz	USQNMHXUFCOMCG-JOCHJYFZSA-N	1	1	413.497	1.948	20	0		HDADMO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(N3CCOCC3)n2)CC1	ZINC001164823238	720330821	/nfs/dbraw/zinc/33/08/21/720330821.db2.gz	ABAJKZPGNLEMKB-WOJBJXKFSA-N	1	1	413.566	1.830	20	0		HDADMO
c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(N3CCOCC3)nc3c2CCN3)c1	ZINC001164721344	720361079	/nfs/dbraw/zinc/36/10/79/720361079.db2.gz	BTHIJHWJLSNXRT-RBUKOAKNSA-N	1	1	407.522	1.529	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)N(C)CC(=O)N4)CC[C@@H]21	ZINC001164837348	720560941	/nfs/dbraw/zinc/56/09/41/720560941.db2.gz	LUEZDFZUNVBSDQ-RYRKJORJSA-N	1	1	410.526	1.439	20	0		HDADMO
CCOC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164742994	720611875	/nfs/dbraw/zinc/61/18/75/720611875.db2.gz	NWTQUUFQBZKRJK-QWHCGFSZSA-N	1	1	404.858	1.439	20	0		HDADMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)NC4CC4)nn3)CC[C@@H]21	ZINC001164839719	720622803	/nfs/dbraw/zinc/62/28/03/720622803.db2.gz	OCJICTWODFCZQF-QRFRQXIXSA-N	1	1	409.538	1.943	20	0		HDADMO
CCOC(=O)c1nc2ccccc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164742966	720627349	/nfs/dbraw/zinc/62/73/49/720627349.db2.gz	NTKUUUSDGQHTDH-CVEARBPZSA-N	1	1	420.473	1.938	20	0		HDADMO
COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncc2c1	ZINC001164738722	720638909	/nfs/dbraw/zinc/63/89/09/720638909.db2.gz	DEWPYJMRZDNWAM-IAGOWNOFSA-N	1	1	406.446	1.548	20	0		HDADMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(S(N)(=O)=O)n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164843239	720648338	/nfs/dbraw/zinc/64/83/38/720648338.db2.gz	VSASUMQXMSCPQL-YESZJQIVSA-N	1	1	404.540	1.303	20	0		HDADMO
CCOC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12	ZINC001164740799	720649968	/nfs/dbraw/zinc/64/99/68/720649968.db2.gz	JAIRURCOLNXXQO-ZIAGYGMSSA-N	1	1	409.450	1.267	20	0		HDADMO
Clc1cc(C2CC[NH2+]CC2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164739624	720663512	/nfs/dbraw/zinc/66/35/12/720663512.db2.gz	OHGYRCVMOBFEPT-JKSUJKDBSA-N	1	1	415.929	1.729	20	0		HDADMO
CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c21	ZINC001164742150	720748340	/nfs/dbraw/zinc/74/83/40/720748340.db2.gz	NOSNRKCFHQFOPA-OLZOCXBDSA-N	1	1	403.874	1.091	20	0		HDADMO
COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(Cl)n1	ZINC001164743357	720805343	/nfs/dbraw/zinc/80/53/43/720805343.db2.gz	FPBIFKUZMINAHV-VXGBXAGGSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(Cl)n1	ZINC001164743357	720805344	/nfs/dbraw/zinc/80/53/44/720805344.db2.gz	FPBIFKUZMINAHV-VXGBXAGGSA-N	1	1	412.828	1.815	20	0		HDADMO
COc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740712	720819758	/nfs/dbraw/zinc/81/97/58/720819758.db2.gz	LCHXLXUKGYYYLA-RRFJBIMHSA-N	1	1	404.906	1.505	20	0		HDADMO
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)c1	ZINC001164739223	720823844	/nfs/dbraw/zinc/82/38/44/720823844.db2.gz	HUYYWKMVXWTHDB-ZHALLVOQSA-N	1	1	414.485	1.978	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164741417	720832182	/nfs/dbraw/zinc/83/21/82/720832182.db2.gz	FHGCZOOYEOITMM-CEWLAPEOSA-N	1	1	421.549	1.945	20	0		HDADMO
NC(=O)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164743056	720834982	/nfs/dbraw/zinc/83/49/82/720834982.db2.gz	IJIXMWDKWHQEBH-RRFJBIMHSA-N	1	1	416.917	1.200	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(C(=O)OC)ccc43)CC[C@@H]2C1	ZINC001164853695	720839054	/nfs/dbraw/zinc/83/90/54/720839054.db2.gz	OKOYSGNTXHLDNZ-VQIMIIECSA-N	1	1	400.479	1.590	20	0		HDADMO
CCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164749680	720845919	/nfs/dbraw/zinc/84/59/19/720845919.db2.gz	WOKDTWSKJWFANC-XUVXKRRUSA-N	1	1	409.538	1.802	20	0		HDADMO
NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164752706	720856075	/nfs/dbraw/zinc/85/60/75/720856075.db2.gz	ULQFSSWKKQBDOZ-BFYDXBDKSA-N	1	1	415.929	1.805	20	0		HDADMO
CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1	ZINC001164853593	720856751	/nfs/dbraw/zinc/85/67/51/720856751.db2.gz	HTZWVJDVKSYKKI-HOCLYGCPSA-N	1	1	412.918	1.409	20	0		HDADMO
COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)cc(OC)c43)CC[C@H]2C1	ZINC001164851573	720859678	/nfs/dbraw/zinc/85/96/78/720859678.db2.gz	BBBZIIXMOAJUKD-KXBFYZLASA-N	1	1	402.495	1.821	20	0		HDADMO
NC(=O)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164757476	720885095	/nfs/dbraw/zinc/88/50/95/720885095.db2.gz	VCUZJSKHQFOZJA-CVDCTZTESA-N	1	1	422.533	1.726	20	0		HDADMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3ncn4-c3ccccc3)CC[C@@H]2C1	ZINC001164865004	720885354	/nfs/dbraw/zinc/88/53/54/720885354.db2.gz	XVYDLMDPHCMEAM-IEBWSBKVSA-N	1	1	408.506	1.989	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164868640	721049258	/nfs/dbraw/zinc/04/92/58/721049258.db2.gz	OXQJAROTHMLNPG-CABCVRRESA-N	1	1	403.870	1.791	20	0		HDADMO
O=C1NCc2c1c(N1CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C1)nc(Cl)c2F	ZINC001164865615	721098654	/nfs/dbraw/zinc/09/86/54/721098654.db2.gz	NMQOYRSCECPXRH-KGLIPLIRSA-N	1	1	417.872	1.992	20	0		HDADMO
CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164773081	721101963	/nfs/dbraw/zinc/10/19/63/721101963.db2.gz	WAPYJYZVIWMYHW-GJZGRUSLSA-N	1	1	417.539	1.462	20	0		HDADMO
COC(=O)c1nc2cnccc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164865234	721103373	/nfs/dbraw/zinc/10/33/73/721103373.db2.gz	JQVQDWZYJDKHQC-IRXDYDNUSA-N	1	1	420.473	1.686	20	0		HDADMO
COC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164774151	721108416	/nfs/dbraw/zinc/10/84/16/721108416.db2.gz	ZWGUDFSONIBJQK-CABCVRRESA-N	1	1	404.902	1.537	20	0		HDADMO
CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164863542	721109079	/nfs/dbraw/zinc/10/90/79/721109079.db2.gz	CTGZJZCKZXVSKK-ROUUACIJSA-N	1	1	417.535	1.255	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(S(N)(=O)=O)cc4Cl)C[C@H]3C2)cn1	ZINC001164764115	721113009	/nfs/dbraw/zinc/11/30/09/721113009.db2.gz	GZJBEOCMLAEWTQ-ZIAGYGMSSA-N	1	1	410.931	1.074	20	0		HDADMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@H]3C2)cn1	ZINC001164764224	721138551	/nfs/dbraw/zinc/13/85/51/721138551.db2.gz	HLFRDQMUBGRBQZ-IAGOWNOFSA-N	1	1	417.945	1.658	20	0		HDADMO
CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(N2CCOCC2)n1	ZINC001164762680	721165766	/nfs/dbraw/zinc/16/57/66/721165766.db2.gz	DDIJPCANVWQKMH-RBUKOAKNSA-N	1	1	411.554	1.567	20	0		HDADMO
CCNC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164760693	721247447	/nfs/dbraw/zinc/24/74/47/721247447.db2.gz	FXXRFMXQUYNIIJ-LSDHHAIUSA-N	1	1	403.918	1.572	20	0		HDADMO
COC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1	ZINC001164871892	721262250	/nfs/dbraw/zinc/26/22/50/721262250.db2.gz	BOIIMGHLFKNVBY-UHFFFAOYSA-N	1	1	404.511	1.184	20	0		HDADMO
COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1Cl	ZINC001164873372	721263889	/nfs/dbraw/zinc/26/38/89/721263889.db2.gz	HTBDONIJFWUBDM-UHFFFAOYSA-N	1	1	424.929	1.529	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4ccc(F)cc43)CC2)C1	ZINC001164868844	721264086	/nfs/dbraw/zinc/26/40/86/721264086.db2.gz	FOVRGTOSOCCOTO-UHFFFAOYSA-N	1	1	401.486	1.776	20	0		HDADMO
COC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1C	ZINC001164868847	721267934	/nfs/dbraw/zinc/26/79/34/721267934.db2.gz	FSCJCFLRAUTCKN-UHFFFAOYSA-N	1	1	404.511	1.184	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4cnc(F)cc43)CC2)C1	ZINC001164869376	721268082	/nfs/dbraw/zinc/26/80/82/721268082.db2.gz	MMWNGTARYWEHBF-UHFFFAOYSA-N	1	1	402.474	1.171	20	0		HDADMO
Cc1nc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2[nH]1	ZINC001164868587	721268098	/nfs/dbraw/zinc/26/80/98/721268098.db2.gz	DEJIIVDOVAGJPA-UHFFFAOYSA-N	1	1	421.933	1.322	20	0		HDADMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4cnccc43)CC2)C1	ZINC001164868849	721268119	/nfs/dbraw/zinc/26/81/19/721268119.db2.gz	FTTXQPYFHFTCPM-UHFFFAOYSA-N	1	1	418.929	1.685	20	0		HDADMO
COc1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164869337	721272492	/nfs/dbraw/zinc/27/24/92/721272492.db2.gz	KOPOVFBWEQTQKT-UHFFFAOYSA-N	1	1	413.522	1.645	20	0		HDADMO
CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164873288	721281356	/nfs/dbraw/zinc/28/13/56/721281356.db2.gz	KNOGHRDQLWWXJK-UHFFFAOYSA-N	1	1	418.538	1.574	20	0		HDADMO
CSc1ncc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164874398	721282248	/nfs/dbraw/zinc/28/22/48/721282248.db2.gz	QAZWILSEYCQPBZ-UHFFFAOYSA-N	1	1	413.975	1.859	20	0		HDADMO
C[NH+]1CCN(c2nccc(N3C[C@@H]4OCCN(C(=O)c5ccccc5)C[C@@H]4C3)n2)CC1	ZINC001164882092	721351921	/nfs/dbraw/zinc/35/19/21/721351921.db2.gz	CAJZOKKXXYPXRU-UXHICEINSA-N	1	1	422.533	1.206	20	0		HDADMO
COC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164894082	721384215	/nfs/dbraw/zinc/38/42/15/721384215.db2.gz	XMAAWVFSDJIBOX-FOIQADDNSA-N	1	1	423.945	1.682	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1OC	ZINC001164884383	721388501	/nfs/dbraw/zinc/38/85/01/721388501.db2.gz	AMWUTOJWSQULQO-VGSWGCGISA-N	1	1	418.538	1.642	20	0		HDADMO
COC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1OC	ZINC001164884381	721389074	/nfs/dbraw/zinc/38/90/74/721389074.db2.gz	AMWUTOJWSQULQO-VGOFRKELSA-N	1	1	418.538	1.642	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cnc(F)cc54)C3)O2)CC1	ZINC001164890553	721397067	/nfs/dbraw/zinc/39/70/67/721397067.db2.gz	OEYXLGGLJZIBEA-IIBYNOLFSA-N	1	1	400.502	1.929	20	0		HDADMO
CN(C)C(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164892947	721403092	/nfs/dbraw/zinc/40/30/92/721403092.db2.gz	ZGYOGZBVTQXBQU-UGKGYDQZSA-N	1	1	401.555	1.549	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cn1	ZINC001164891378	721408065	/nfs/dbraw/zinc/40/80/65/721408065.db2.gz	VONHMSMPDNJWLZ-UWJYYQICSA-N	1	1	403.527	1.419	20	0		HDADMO
Cn1c(=O)ccc2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc21	ZINC001164889506	721413741	/nfs/dbraw/zinc/41/37/41/721413741.db2.gz	RFELGAUCYPNDJT-WMZHIEFXSA-N	1	1	411.550	1.699	20	0		HDADMO
CN(C)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164884638	721415800	/nfs/dbraw/zinc/41/58/00/721415800.db2.gz	FGQWICROAZQFJP-UZLBHIALSA-N	1	1	408.978	1.961	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CC5)cn4)C3)O2)CC1	ZINC001164891501	721416575	/nfs/dbraw/zinc/41/65/75/721416575.db2.gz	WMPGFVQOEWTHLX-REWPJTCUSA-N	1	1	413.566	1.739	20	0		HDADMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(n4)NC(=O)CO5)C3)O2)CC1	ZINC001164888367	721417319	/nfs/dbraw/zinc/41/73/19/721417319.db2.gz	OLGMLQQXHBLKGX-HRAATJIYSA-N	1	1	401.511	1.178	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc5ncnc(Cl)c5n4)C3)O2)CC1	ZINC001164884676	721423670	/nfs/dbraw/zinc/42/36/70/721423670.db2.gz	FHAXVFFOAWVXAP-QRWLVFNGSA-N	1	1	417.945	1.839	20	0		HDADMO
CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1	ZINC001164891582	721425621	/nfs/dbraw/zinc/42/56/21/721425621.db2.gz	HBNNZJXESRPJEF-UGKGYDQZSA-N	1	1	417.554	1.348	20	0		HDADMO
O=S(=O)(NC1CC1)c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164786358	721428243	/nfs/dbraw/zinc/42/82/43/721428243.db2.gz	OMRIVXGHEBKZAW-OKILXGFUSA-N	1	1	405.549	1.547	20	0		HDADMO
O=S(=O)(NC1CC1)c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164786358	721428245	/nfs/dbraw/zinc/42/82/45/721428245.db2.gz	OMRIVXGHEBKZAW-OKILXGFUSA-N	1	1	405.549	1.547	20	0		HDADMO
CCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164893170	721432822	/nfs/dbraw/zinc/43/28/22/721432822.db2.gz	JQFHKYJCHIAOBR-DENIHFKCSA-N	1	1	401.555	1.597	20	0		HDADMO
CCCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1	ZINC001164888770	721436446	/nfs/dbraw/zinc/43/64/46/721436446.db2.gz	AVQZUMVQFFXINO-NZQKXSOJSA-N	1	1	415.582	1.987	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccnc(-n5ccccc5=O)n4)C3)O2)CC1	ZINC001164896877	721438618	/nfs/dbraw/zinc/43/86/18/721438618.db2.gz	SHYNGFKZIZKRQY-XXBNENTESA-N	1	1	424.549	1.393	20	0		HDADMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(N)=O)CC2	ZINC001164790275	721450766	/nfs/dbraw/zinc/45/07/66/721450766.db2.gz	XUMRFZMIMDVLQU-SFHVURJKSA-N	1	1	402.539	1.914	20	0		HDADMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4NC(=O)CS5)C3)O2)CC1	ZINC001164892028	721451255	/nfs/dbraw/zinc/45/12/55/721451255.db2.gz	VUFWCIVKGIWBSQ-QRWLVFNGSA-N	1	1	418.567	1.286	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCOCC3)ncn2)[C@@H]2CCCO[C@@H]12	ZINC001164809000	721531912	/nfs/dbraw/zinc/53/19/12/721531912.db2.gz	SZRDFCZGHSQPMO-WOIUINJBSA-N	1	1	410.522	1.576	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@@H]2CCCO[C@@H]12	ZINC001164804504	721545944	/nfs/dbraw/zinc/54/59/44/721545944.db2.gz	KBHIKVQXCJVQQK-CKEIUWERSA-N	1	1	402.886	1.492	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@@H]2CCCO[C@@H]12	ZINC001164804504	721545951	/nfs/dbraw/zinc/54/59/51/721545951.db2.gz	KBHIKVQXCJVQQK-CKEIUWERSA-N	1	1	402.886	1.492	20	0		HDADMO
CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1	ZINC001164908688	721553395	/nfs/dbraw/zinc/55/33/95/721553395.db2.gz	RQZZAQQPWVQXCC-WMZOPIPTSA-N	1	1	420.510	1.861	20	0		HDADMO
CN1CCN(c2nccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1	ZINC001164905409	721561393	/nfs/dbraw/zinc/56/13/93/721561393.db2.gz	HGBFHVQMZIEMAK-UYAOXDASSA-N	1	1	412.513	1.709	20	0		HDADMO
COCCN1C[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1=O	ZINC001164902874	721573869	/nfs/dbraw/zinc/57/38/69/721573869.db2.gz	MYOLAKWLYAIINE-QUCCMNQESA-N	1	1	407.518	1.576	20	0		HDADMO
COCCN1C[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1=O	ZINC001164902874	721573872	/nfs/dbraw/zinc/57/38/72/721573872.db2.gz	MYOLAKWLYAIINE-QUCCMNQESA-N	1	1	407.518	1.576	20	0		HDADMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@@H]2CCCO[C@H]21	ZINC001164809561	721581855	/nfs/dbraw/zinc/58/18/55/721581855.db2.gz	TWLZNDCYRCKOJM-WOIUINJBSA-N	1	1	418.501	1.891	20	0		HDADMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@@H]2CCCO[C@H]21	ZINC001164809561	721581859	/nfs/dbraw/zinc/58/18/59/721581859.db2.gz	TWLZNDCYRCKOJM-WOIUINJBSA-N	1	1	418.501	1.891	20	0		HDADMO
O=C([C@@H]1C[C@H]2[C@@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCOCC1	ZINC001164802743	721595746	/nfs/dbraw/zinc/59/57/46/721595746.db2.gz	UUAYTGPSVMHUOM-KSZLIROESA-N	1	1	420.941	1.926	20	0		HDADMO
O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCOCC1	ZINC001164802744	721595769	/nfs/dbraw/zinc/59/57/69/721595769.db2.gz	UUAYTGPSVMHUOM-KURKYZTESA-N	1	1	420.941	1.926	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@H]43)c2)CC1	ZINC001164802861	721596741	/nfs/dbraw/zinc/59/67/41/721596741.db2.gz	VZZFHYNKOVBTGL-AABGKKOBSA-N	1	1	416.522	1.150	20	0		HDADMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(N)(=O)=O)C2	ZINC001164907846	721747676	/nfs/dbraw/zinc/74/76/76/721747676.db2.gz	BSFMXDDCPFCFIB-UHFFFAOYSA-N	1	1	413.503	1.912	20	0		HDADMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(N)(=O)=O)C2	ZINC001164907846	721747686	/nfs/dbraw/zinc/74/76/86/721747686.db2.gz	BSFMXDDCPFCFIB-UHFFFAOYSA-N	1	1	413.503	1.912	20	0		HDADMO
CN1CCN(c2cccc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)n2)CC1	ZINC001165014616	721766712	/nfs/dbraw/zinc/76/67/12/721766712.db2.gz	HMUUUCAXZCLMIO-UHFFFAOYSA-N	1	1	419.537	1.652	20	0		HDADMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cn3)C[C@@H]21	ZINC001165028886	721809169	/nfs/dbraw/zinc/80/91/69/721809169.db2.gz	XXFFKNIRRKXXJQ-ZYSHUDEJSA-N	1	1	401.536	1.861	20	0		HDADMO
Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]cnc5c4ccn5C)CCO3)C2)cs1	ZINC001164922062	721824421	/nfs/dbraw/zinc/82/44/21/721824421.db2.gz	CCUHFVLIMGIUSG-FQEVSTJZSA-N	1	1	414.535	1.841	20	0		HDADMO
CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2	ZINC001164927327	721836854	/nfs/dbraw/zinc/83/68/54/721836854.db2.gz	UAALPETVGSPKIF-AVRDEDQJSA-N	1	1	424.553	1.283	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1C(=O)OCC	ZINC001164933635	721889924	/nfs/dbraw/zinc/88/99/24/721889924.db2.gz	NNDQOACYKWNSLN-QZTJIDSGSA-N	1	1	404.511	1.650	20	0		HDADMO
CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1C(=O)OCC	ZINC001164933635	721889926	/nfs/dbraw/zinc/88/99/26/721889926.db2.gz	NNDQOACYKWNSLN-QZTJIDSGSA-N	1	1	404.511	1.650	20	0		HDADMO
COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2OCC[N@@H+](Cc3c(C)noc3C)[C@H]2C1	ZINC001164944003	721938223	/nfs/dbraw/zinc/93/82/23/721938223.db2.gz	QSHLKWBSUNLMLB-IRXDYDNUSA-N	1	1	412.450	1.391	20	0		HDADMO
O=S(=O)(NC1CC1)c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1	ZINC001165044021	721960310	/nfs/dbraw/zinc/96/03/10/721960310.db2.gz	CMAGSODRIXJODO-UHFFFAOYSA-N	1	1	402.520	1.723	20	0		HDADMO
CN(C)Cc1ccnc(N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1	ZINC001164952400	721991279	/nfs/dbraw/zinc/99/12/79/721991279.db2.gz	PIUYLWQPYFFZKI-YLJYHZDGSA-N	1	1	408.568	1.743	20	0		HDADMO
CN1CC(=O)Nc2cnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc21	ZINC001164962278	722057449	/nfs/dbraw/zinc/05/74/49/722057449.db2.gz	CMAOBTYUPNOQFV-UHFFFAOYSA-N	1	1	423.521	1.379	20	0		HDADMO
CS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1	ZINC001164961474	722058632	/nfs/dbraw/zinc/05/86/32/722058632.db2.gz	KNWJFPCKJGCWDH-UHFFFAOYSA-N	1	1	416.547	1.999	20	0		HDADMO
CCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1	ZINC001164963287	722060863	/nfs/dbraw/zinc/06/08/63/722060863.db2.gz	VOFXBERRWMROQT-UHFFFAOYSA-N	1	1	410.522	1.740	20	0		HDADMO
COC(=O)C1CCN(c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1	ZINC001164967226	722073609	/nfs/dbraw/zinc/07/36/09/722073609.db2.gz	OTGKWORKDYAQPL-HDICACEKSA-N	1	1	401.511	1.165	20	0		HDADMO
COC(=O)C1CCN(c2nccnc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)CC1	ZINC001164967823	722073683	/nfs/dbraw/zinc/07/36/83/722073683.db2.gz	YFCOZXWGRVQXPD-HDICACEKSA-N	1	1	401.511	1.165	20	0		HDADMO
C[NH+]1CCC(Oc2ccnc(N3CCCn4c(Cn5cccn5)nnc4C3)c2)CC1	ZINC001164974135	722089120	/nfs/dbraw/zinc/08/91/20/722089120.db2.gz	MNQADYABKNRDDU-UHFFFAOYSA-N	1	1	408.510	1.801	20	0		HDADMO
NC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164981789	722103057	/nfs/dbraw/zinc/10/30/57/722103057.db2.gz	MKSKVSYODNMXRR-MAUKXSAKSA-N	1	1	401.898	1.956	20	0		HDADMO
NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164974937	722119822	/nfs/dbraw/zinc/11/98/22/722119822.db2.gz	JCFZAYKNQDANOM-WBVHZDCISA-N	1	1	401.898	1.956	20	0		HDADMO
CON(C)C(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982035	722133399	/nfs/dbraw/zinc/13/33/99/722133399.db2.gz	QUQLBFWLPGSIGC-AZUAARDMSA-N	1	1	411.506	1.837	20	0		HDADMO
CNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164973306	722139852	/nfs/dbraw/zinc/13/98/52/722139852.db2.gz	BRQSZPVQUBXYGW-PKOBYXMFSA-N	1	1	417.535	1.112	20	0		HDADMO
c1ncn(Cc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)n1	ZINC001164977030	722141413	/nfs/dbraw/zinc/14/14/13/722141413.db2.gz	HUCUWBQSJIDWBK-SFTDATJTSA-N	1	1	405.506	1.844	20	0		HDADMO
O=C(NC1CC1)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1	ZINC001164984909	722147764	/nfs/dbraw/zinc/14/77/64/722147764.db2.gz	YJAKTWMCEGGFFL-XLIONFOSSA-N	1	1	408.506	1.491	20	0		HDADMO
CN(C)c1nc(Cl)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1	ZINC001164996080	722229133	/nfs/dbraw/zinc/22/91/33/722229133.db2.gz	DDEODEUXXXQHSR-UHFFFAOYSA-N	1	1	402.934	1.343	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4cccnc42)CC3)CC1	ZINC001164997710	722231030	/nfs/dbraw/zinc/23/10/30/722231030.db2.gz	UBNDMCGBYIKFIE-UHFFFAOYSA-N	1	1	410.913	1.825	20	0		HDADMO
COC(=O)c1c[nH]c2nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ccc12	ZINC001164997719	722231872	/nfs/dbraw/zinc/23/18/72/722231872.db2.gz	UFITUAJAONGOBI-UHFFFAOYSA-N	1	1	421.505	1.497	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(=O)NC(C)(C)C)cn2)CC3)CC1	ZINC001164996397	722233838	/nfs/dbraw/zinc/23/38/38/722233838.db2.gz	GAGOFEBKAMAOJG-UHFFFAOYSA-N	1	1	423.565	1.757	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(=O)N4CCCC4)ccn2)CC3)CC1	ZINC001164997857	722235491	/nfs/dbraw/zinc/23/54/91/722235491.db2.gz	XUJPMBIOHNATBJ-UHFFFAOYSA-N	1	1	421.549	1.465	20	0		HDADMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cncc(Cl)n2)CC3)CC1	ZINC001164996388	722236120	/nfs/dbraw/zinc/23/61/20/722236120.db2.gz	FMFJTSTZNBULAZ-UHFFFAOYSA-N	1	1	409.872	1.822	20	0		HDADMO
Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(-c2ccccn2)n1	ZINC001165002837	722236876	/nfs/dbraw/zinc/23/68/76/722236876.db2.gz	ZRGKTMFMMMPRJJ-UHFFFAOYSA-N	1	1	416.533	1.994	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1C	ZINC000429046024	1073463709	/nfs/dbraw/zinc/46/37/09/1073463709.db2.gz	WXSVSERLZMHHOJ-NRFANRHFSA-N	1	1	422.595	1.992	20	0		HDADMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@H](Cn2ccnn2)C1	ZINC000429047561	1073467701	/nfs/dbraw/zinc/46/77/01/1073467701.db2.gz	XKEQEDLZMNUOMD-SFTDATJTSA-N	1	1	412.538	1.991	20	0		HDADMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O	ZINC001299281573	1073493176	/nfs/dbraw/zinc/49/31/76/1073493176.db2.gz	PBPWTMNVIOHXNL-XMSQKQJNSA-N	1	1	407.514	1.779	20	0		HDADMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O	ZINC001299281573	1073493180	/nfs/dbraw/zinc/49/31/80/1073493180.db2.gz	PBPWTMNVIOHXNL-XMSQKQJNSA-N	1	1	407.514	1.779	20	0		HDADMO
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429061155	1073495974	/nfs/dbraw/zinc/49/59/74/1073495974.db2.gz	QQNKXVJMAGNHIH-KRWDZBQOSA-N	1	1	411.531	1.607	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CCOC)n2)C3)CC[N@H+]1C	ZINC001004638055	1073509288	/nfs/dbraw/zinc/50/92/88/1073509288.db2.gz	KBGZGIWJBCCKEL-CGHHPOIWSA-N	1	1	403.527	1.122	20	0		HDADMO
CN(C[C@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000429075057	1073517948	/nfs/dbraw/zinc/51/79/48/1073517948.db2.gz	IQRLPCWDXFDDHR-MRXNPFEDSA-N	1	1	410.540	1.513	20	0		HDADMO
CN(C[C@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000429075057	1073517961	/nfs/dbraw/zinc/51/79/61/1073517961.db2.gz	IQRLPCWDXFDDHR-MRXNPFEDSA-N	1	1	410.540	1.513	20	0		HDADMO
COC(=O)Cn1cc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1	ZINC000429075634	1073520553	/nfs/dbraw/zinc/52/05/53/1073520553.db2.gz	QTDOBJNGTKZPGF-CQSZACIVSA-N	1	1	406.512	1.224	20	0		HDADMO
CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000625183283	1073542939	/nfs/dbraw/zinc/54/29/39/1073542939.db2.gz	MNOIULJLIFGGBU-LJQANCHMSA-N	1	1	423.579	1.948	20	0		HDADMO
O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000625180622	1073546882	/nfs/dbraw/zinc/54/68/82/1073546882.db2.gz	AWYGHKZRWJMJIM-SFHVURJKSA-N	1	1	400.454	1.699	20	0		HDADMO
CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)c1	ZINC000482994377	1073547441	/nfs/dbraw/zinc/54/74/41/1073547441.db2.gz	KTQKUHXZNUXQNO-GOSISDBHSA-N	1	1	401.511	1.515	20	0		HDADMO
O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000625180621	1073547586	/nfs/dbraw/zinc/54/75/86/1073547586.db2.gz	AWYGHKZRWJMJIM-GOSISDBHSA-N	1	1	400.454	1.699	20	0		HDADMO
C[C@@]1(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O	ZINC000673654757	1073580530	/nfs/dbraw/zinc/58/05/30/1073580530.db2.gz	CNLACNQDXHMRKL-GCJKJVERSA-N	1	1	407.474	1.417	20	0		HDADMO
C[C@@]1(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O	ZINC000673654757	1073580541	/nfs/dbraw/zinc/58/05/41/1073580541.db2.gz	CNLACNQDXHMRKL-GCJKJVERSA-N	1	1	407.474	1.417	20	0		HDADMO
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000055407338	1073582494	/nfs/dbraw/zinc/58/24/94/1073582494.db2.gz	KUZPMQOSPXJSIS-JKSUJKDBSA-N	1	1	405.543	1.084	20	0		HDADMO
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000673656729	1073595541	/nfs/dbraw/zinc/59/55/41/1073595541.db2.gz	KBSBXZCLNIYPSH-BEFAXECRSA-N	1	1	402.520	1.832	20	0		HDADMO
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000673656729	1073595550	/nfs/dbraw/zinc/59/55/50/1073595550.db2.gz	KBSBXZCLNIYPSH-BEFAXECRSA-N	1	1	402.520	1.832	20	0		HDADMO
CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1	ZINC000673669102	1073622426	/nfs/dbraw/zinc/62/24/26/1073622426.db2.gz	CAHOUXJLGRSMIT-FQEVSTJZSA-N	1	1	401.555	1.449	20	0		HDADMO
CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1	ZINC000673669102	1073622431	/nfs/dbraw/zinc/62/24/31/1073622431.db2.gz	CAHOUXJLGRSMIT-FQEVSTJZSA-N	1	1	401.555	1.449	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)CC2)C1	ZINC000673673465	1073628670	/nfs/dbraw/zinc/62/86/70/1073628670.db2.gz	SACCOXLHBCKAQY-ICSRJNTNSA-N	1	1	405.587	1.589	20	0		HDADMO
C[C@]1(C2CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)NC(=O)NC1=O	ZINC000673715197	1073654177	/nfs/dbraw/zinc/65/41/77/1073654177.db2.gz	BPYSFLALUWAQIC-QGZVFWFLSA-N	1	1	406.284	1.907	20	0		HDADMO
CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NC)C1	ZINC001545674758	1073659505	/nfs/dbraw/zinc/65/95/05/1073659505.db2.gz	KYSOIMYEWVYMMI-MJGOQNOKSA-N	1	1	413.570	1.957	20	0		HDADMO
COCCn1cc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)ccc1=O	ZINC000673728796	1073663378	/nfs/dbraw/zinc/66/33/78/1073663378.db2.gz	MJSPQAXGHALSJA-UHFFFAOYSA-N	1	1	412.490	1.064	20	0		HDADMO
C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CC2)CCO1	ZINC000509130695	1073671881	/nfs/dbraw/zinc/67/18/81/1073671881.db2.gz	ZYZDIHADJLTYBQ-FXAWDEMLSA-N	1	1	403.523	1.328	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000429118680	1073692990	/nfs/dbraw/zinc/69/29/90/1073692990.db2.gz	YRAWPAMTZOAKNF-HNNXBMFYSA-N	1	1	405.499	1.106	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1	ZINC000673749976	1073694157	/nfs/dbraw/zinc/69/41/57/1073694157.db2.gz	HBAMWRALFDTYTL-MRXNPFEDSA-N	1	1	405.524	1.044	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2CC1	ZINC000946688345	1073694255	/nfs/dbraw/zinc/69/42/55/1073694255.db2.gz	PSORMCXXLJMQPQ-YEYKIUSRSA-N	1	1	401.551	1.497	20	0		HDADMO
COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000429124746	1073696724	/nfs/dbraw/zinc/69/67/24/1073696724.db2.gz	BNKHGNLVOORGQO-KRWDZBQOSA-N	1	1	419.526	1.461	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000673757831	1073696861	/nfs/dbraw/zinc/69/68/61/1073696861.db2.gz	HERFFHITTCVVGB-HNNXBMFYSA-N	1	1	407.522	1.989	20	0		HDADMO
COc1ccc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(OC)n1	ZINC000673760309	1073700012	/nfs/dbraw/zinc/70/00/12/1073700012.db2.gz	GIMBSBVUJDBHNF-UHFFFAOYSA-N	1	1	405.499	1.507	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl	ZINC000509136588	1073702300	/nfs/dbraw/zinc/70/23/00/1073702300.db2.gz	IONAJUDLWDDCND-ZDUSSCGKSA-N	1	1	420.938	1.931	20	0		HDADMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1	ZINC000673774149	1073707712	/nfs/dbraw/zinc/70/77/12/1073707712.db2.gz	SEMYARJJPAXGLY-IBGZPJMESA-N	1	1	415.582	1.845	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C	ZINC000429132533	1073716123	/nfs/dbraw/zinc/71/61/23/1073716123.db2.gz	DQJBVLYBUBXVIU-ZFWWWQNUSA-N	1	1	412.328	2.000	20	0		HDADMO
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C	ZINC000429132533	1073716128	/nfs/dbraw/zinc/71/61/28/1073716128.db2.gz	DQJBVLYBUBXVIU-ZFWWWQNUSA-N	1	1	412.328	2.000	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@H]1O	ZINC000509143464	1073716796	/nfs/dbraw/zinc/71/67/96/1073716796.db2.gz	ZGRHSGVRHCKDLQ-OXQOHEQNSA-N	1	1	417.531	1.758	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@H]1O	ZINC000509143464	1073716804	/nfs/dbraw/zinc/71/68/04/1073716804.db2.gz	ZGRHSGVRHCKDLQ-OXQOHEQNSA-N	1	1	417.531	1.758	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1	ZINC000509144236	1073723170	/nfs/dbraw/zinc/72/31/70/1073723170.db2.gz	NZUYKLXBIAVSMH-SFTDATJTSA-N	1	1	416.566	1.245	20	0		HDADMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O	ZINC000673779142	1073735425	/nfs/dbraw/zinc/73/54/25/1073735425.db2.gz	XLYAGEVHMCNUPK-YLJYHZDGSA-N	1	1	410.522	1.831	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000429134469	1073738464	/nfs/dbraw/zinc/73/84/64/1073738464.db2.gz	KFKJTJCDBGOXSW-IAGOWNOFSA-N	1	1	411.572	1.123	20	0		HDADMO
CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1	ZINC000673789530	1073743714	/nfs/dbraw/zinc/74/37/14/1073743714.db2.gz	YGGUSPKHSVVBMF-QGZVFWFLSA-N	1	1	410.518	1.940	20	0		HDADMO
CN(CCN1CCOCC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000509151739	1073756431	/nfs/dbraw/zinc/75/64/31/1073756431.db2.gz	KAAWOSGPTYPQMR-YADHBBJMSA-N	1	1	411.550	1.426	20	0		HDADMO
CNS(=O)(=O)CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000429138956	1073760299	/nfs/dbraw/zinc/76/02/99/1073760299.db2.gz	DUKLIJYAMRKVRB-UHFFFAOYSA-N	1	1	423.366	1.806	20	0		HDADMO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1	ZINC000501238172	1073765982	/nfs/dbraw/zinc/76/59/82/1073765982.db2.gz	RIMFQJQFWIWRAJ-KRWDZBQOSA-N	1	1	417.554	1.249	20	0		HDADMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CS(=O)(=O)CCO1	ZINC000509154493	1073775531	/nfs/dbraw/zinc/77/55/31/1073775531.db2.gz	RKEUTCUEDAPBJM-RTBURBONSA-N	1	1	409.552	1.354	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1	ZINC000501891246	1073795847	/nfs/dbraw/zinc/79/58/47/1073795847.db2.gz	SUQNNVDZDVMNCY-SOLBZPMBSA-N	1	1	409.552	1.651	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1	ZINC000501891246	1073795853	/nfs/dbraw/zinc/79/58/53/1073795853.db2.gz	SUQNNVDZDVMNCY-SOLBZPMBSA-N	1	1	409.552	1.651	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1	ZINC000057260779	1073804767	/nfs/dbraw/zinc/80/47/67/1073804767.db2.gz	XHTVPAPMYPBPNF-LJQANCHMSA-N	1	1	405.458	1.485	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1	ZINC000057260779	1073804778	/nfs/dbraw/zinc/80/47/78/1073804778.db2.gz	XHTVPAPMYPBPNF-LJQANCHMSA-N	1	1	405.458	1.485	20	0		HDADMO
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000673841347	1073805237	/nfs/dbraw/zinc/80/52/37/1073805237.db2.gz	XGZWXQHEWUVBPK-MRXNPFEDSA-N	1	1	407.584	1.767	20	0		HDADMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1	ZINC000673848311	1073813933	/nfs/dbraw/zinc/81/39/33/1073813933.db2.gz	PVTWSPKQFIWJHV-HNNXBMFYSA-N	1	1	422.327	1.622	20	0		HDADMO
CN(C)c1nc(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cs1	ZINC000673849468	1073815262	/nfs/dbraw/zinc/81/52/62/1073815262.db2.gz	RWFYBZRMZXCLBN-UHFFFAOYSA-N	1	1	404.544	1.011	20	0		HDADMO
NC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1F	ZINC000673875737	1073841703	/nfs/dbraw/zinc/84/17/03/1073841703.db2.gz	DSGXYLGPXKXTGI-HNAYVOBHSA-N	1	1	400.454	1.929	20	0		HDADMO
O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000673878777	1073849853	/nfs/dbraw/zinc/84/98/53/1073849853.db2.gz	OTISUEMTWOIOBE-TZIWHRDSSA-N	1	1	410.518	1.958	20	0		HDADMO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCN(C(C)(C)CO)CC2)CC1	ZINC000673896548	1073866651	/nfs/dbraw/zinc/86/66/51/1073866651.db2.gz	WLKOFZAMTXRASH-UHFFFAOYSA-N	1	1	402.583	1.464	20	0		HDADMO
C[NH+]1CCN(CC(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC1	ZINC000673905085	1073879153	/nfs/dbraw/zinc/87/91/53/1073879153.db2.gz	HAROIHMJVQGPRM-UHFFFAOYSA-N	1	1	404.946	1.269	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2=O)c1	ZINC000673914916	1073886715	/nfs/dbraw/zinc/88/67/15/1073886715.db2.gz	GXTXTSDMYXWIQE-UTKZUKDTSA-N	1	1	402.539	1.521	20	0		HDADMO
CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1	ZINC000466556981	1073897191	/nfs/dbraw/zinc/89/71/91/1073897191.db2.gz	SQFBZLNVJBSAAX-JTDSTZFVSA-N	1	1	403.527	1.509	20	0		HDADMO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1	ZINC000429164687	1073902307	/nfs/dbraw/zinc/90/23/07/1073902307.db2.gz	XIBRQUJCJJCXNL-SMDDNHRTSA-N	1	1	422.938	1.757	20	0		HDADMO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1	ZINC000429164687	1073902312	/nfs/dbraw/zinc/90/23/12/1073902312.db2.gz	XIBRQUJCJJCXNL-SMDDNHRTSA-N	1	1	422.938	1.757	20	0		HDADMO
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000429174481	1073942836	/nfs/dbraw/zinc/94/28/36/1073942836.db2.gz	YRZQOMXVKKWQMT-IRXDYDNUSA-N	1	1	403.593	1.115	20	0		HDADMO
COC[C@@H](NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)c1ccc(F)cc1	ZINC000466567683	1073955155	/nfs/dbraw/zinc/95/51/55/1073955155.db2.gz	STPWJIUILBJBHX-LEWJYISDSA-N	1	1	422.545	1.950	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](C)O)cc1	ZINC000670439771	1073961254	/nfs/dbraw/zinc/96/12/54/1073961254.db2.gz	LGKHXDBHEGCIRX-ZRGWGRIASA-N	1	1	400.479	1.356	20	0		HDADMO
CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1	ZINC000466578166	1074004173	/nfs/dbraw/zinc/00/41/73/1074004173.db2.gz	MKJLZULDEIQFBV-AABGKKOBSA-N	1	1	400.523	1.507	20	0		HDADMO
C[C@H](C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)N1CC[NH+](C)CC1	ZINC000543529621	1074020965	/nfs/dbraw/zinc/02/09/65/1074020965.db2.gz	VSBZGPNIQXXIMA-APWZRJJASA-N	1	1	400.523	1.577	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cccnc1N1CCCCC1)CN1CC[NH+](C)CC1	ZINC000509191867	1074026767	/nfs/dbraw/zinc/02/67/67/1074026767.db2.gz	MOBYTNGCTDQEEH-KRWDZBQOSA-N	1	1	402.543	1.010	20	0		HDADMO
O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000509192471	1074027479	/nfs/dbraw/zinc/02/74/79/1074027479.db2.gz	QZEUOOMGDASSDF-QGZVFWFLSA-N	1	1	401.511	1.191	20	0		HDADMO
Cn1nnc2cc(C(=O)Nc3ccc4[nH]c(CC[NH+]5CCOCC5)nc4c3)cnc21	ZINC000543532626	1074032218	/nfs/dbraw/zinc/03/22/18/1074032218.db2.gz	XXGCQYLMEVUYOV-UHFFFAOYSA-N	1	1	406.450	1.367	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)[N@H+]1CCC[C@@H](C)C1	ZINC000543534458	1074033324	/nfs/dbraw/zinc/03/33/24/1074033324.db2.gz	MWQWDWJLGMEHIA-CVEARBPZSA-N	1	1	401.511	1.387	20	0		HDADMO
O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1	ZINC000429191439	1074033922	/nfs/dbraw/zinc/03/39/22/1074033922.db2.gz	GYZYRBAGVMKSFN-UXHICEINSA-N	1	1	410.522	1.380	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3nc(COC)nn3C2)[C@H](C)C1	ZINC000466586058	1074034930	/nfs/dbraw/zinc/03/49/30/1074034930.db2.gz	BYDPHWAPLUGXMV-ZACQAIPSSA-N	1	1	408.547	1.176	20	0		HDADMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NCCC2CCS(=O)(=O)CC2)[C@H](C)C1	ZINC000509193878	1074040107	/nfs/dbraw/zinc/04/01/07/1074040107.db2.gz	FSWPHXCUJFYUBU-AEFFLSMTSA-N	1	1	403.589	1.638	20	0		HDADMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O	ZINC000543535259	1074042239	/nfs/dbraw/zinc/04/22/39/1074042239.db2.gz	TYGHVUSEXYHRSU-HZPDHXFCSA-N	1	1	401.511	1.387	20	0		HDADMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC(=O)Nc2cccnc2)cn1	ZINC000509195337	1074046529	/nfs/dbraw/zinc/04/65/29/1074046529.db2.gz	KGDGODOGEOSDKW-RTWAWAEBSA-N	1	1	418.501	1.786	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)Cc3cc(Cl)cc4c3OCC4)CC2)CC1	ZINC000543540530	1074053435	/nfs/dbraw/zinc/05/34/35/1074053435.db2.gz	ZGEHRBHHHLVJOI-UHFFFAOYSA-N	1	1	405.926	1.830	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@@H](C)c2cn(-c3ccccc3)nn2)C1	ZINC000543545303	1074059291	/nfs/dbraw/zinc/05/92/91/1074059291.db2.gz	JWMCNMJYFNZDOR-PKOBYXMFSA-N	1	1	400.527	1.391	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1	ZINC000429202500	1074069043	/nfs/dbraw/zinc/06/90/43/1074069043.db2.gz	FQWLSQGPPMENSU-QGZVFWFLSA-N	1	1	424.567	1.700	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1	ZINC000429202500	1074069050	/nfs/dbraw/zinc/06/90/50/1074069050.db2.gz	FQWLSQGPPMENSU-QGZVFWFLSA-N	1	1	424.567	1.700	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCCC(=O)OC(C)(C)C)CC2)CC1	ZINC000466603662	1074069200	/nfs/dbraw/zinc/06/92/00/1074069200.db2.gz	DKZJHRAHQBAEHQ-UHFFFAOYSA-N	1	1	410.559	1.694	20	0		HDADMO
CC(C)(CNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O	ZINC000674030045	1074098636	/nfs/dbraw/zinc/09/86/36/1074098636.db2.gz	VQGOUINPBJXWGJ-UHFFFAOYSA-N	1	1	424.611	1.707	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC(C)(C)S(C)(=O)=O)CC1	ZINC000674032230	1074099586	/nfs/dbraw/zinc/09/95/86/1074099586.db2.gz	JDHGDMZZRIDOEX-UHFFFAOYSA-N	1	1	410.584	1.447	20	0		HDADMO
C[C@H](C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)N1CC[NH+](C)CC1	ZINC000543559942	1074106647	/nfs/dbraw/zinc/10/66/47/1074106647.db2.gz	SXJOJPBKHAPGOX-CYBMUJFWSA-N	1	1	423.564	1.756	20	0		HDADMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1	ZINC000429217121	1074158485	/nfs/dbraw/zinc/15/84/85/1074158485.db2.gz	FKLHFONZPGTTRQ-CQSZACIVSA-N	1	1	402.499	2.009	20	0		HDADMO
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCCN1CCC[N@H+](C)CC1	ZINC000674092826	1074181197	/nfs/dbraw/zinc/18/11/97/1074181197.db2.gz	PBEBWKNHQGSQMS-OAQYLSRUSA-N	1	1	417.529	1.498	20	0		HDADMO
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCC[N@H+]1CCCN(C)CC1	ZINC000674092826	1074181202	/nfs/dbraw/zinc/18/12/02/1074181202.db2.gz	PBEBWKNHQGSQMS-OAQYLSRUSA-N	1	1	417.529	1.498	20	0		HDADMO
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCC[N@@H+]1CCCN(C)CC1	ZINC000674092826	1074181203	/nfs/dbraw/zinc/18/12/03/1074181203.db2.gz	PBEBWKNHQGSQMS-OAQYLSRUSA-N	1	1	417.529	1.498	20	0		HDADMO
CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nnc2n1CCCCC2	ZINC000674158204	1074195684	/nfs/dbraw/zinc/19/56/84/1074195684.db2.gz	KPSAUEGRXAYPJT-WMZOPIPTSA-N	1	1	403.575	1.923	20	0		HDADMO
CC[C@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2	ZINC000674158204	1074195687	/nfs/dbraw/zinc/19/56/87/1074195687.db2.gz	KPSAUEGRXAYPJT-WMZOPIPTSA-N	1	1	403.575	1.923	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCO)[C@@H]1CCc2ccccc21	ZINC000674158682	1074195743	/nfs/dbraw/zinc/19/57/43/1074195743.db2.gz	IELHBMULSIKROD-PZJWPPBQSA-N	1	1	402.539	1.084	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(CCO)[C@@H]1CCCc2ccccc21	ZINC000674160208	1074196645	/nfs/dbraw/zinc/19/66/45/1074196645.db2.gz	RWLKSMPHOSTRSE-IFMALSPDSA-N	1	1	416.566	1.474	20	0		HDADMO
Cn1c2sc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c(=O)n(C)c1=O	ZINC001128637018	1074198994	/nfs/dbraw/zinc/19/89/94/1074198994.db2.gz	PAOUOTBGFGVPBA-HNNXBMFYSA-N	1	1	412.515	1.551	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](C)c3ccncc3)cc2)CC1	ZINC000674227437	1074234785	/nfs/dbraw/zinc/23/47/85/1074234785.db2.gz	KBEZPLLTMZASGA-KRWDZBQOSA-N	1	1	423.517	1.718	20	0		HDADMO
O=C(Nc1cc(F)ccc1N1CCCCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000674229389	1074235813	/nfs/dbraw/zinc/23/58/13/1074235813.db2.gz	LRZRJABIBIBIFU-KRWDZBQOSA-N	1	1	418.513	1.935	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000674294536	1074257900	/nfs/dbraw/zinc/25/79/00/1074257900.db2.gz	GXZPPYPTPFGXBZ-TZIWHRDSSA-N	1	1	424.586	1.153	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CC1	ZINC000674276868	1074258904	/nfs/dbraw/zinc/25/89/04/1074258904.db2.gz	KTBKSFDRIAHMFY-ROUUACIJSA-N	1	1	416.515	1.079	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CC1	ZINC000674276868	1074258912	/nfs/dbraw/zinc/25/89/12/1074258912.db2.gz	KTBKSFDRIAHMFY-ROUUACIJSA-N	1	1	416.515	1.079	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CC1	ZINC000674276869	1074259004	/nfs/dbraw/zinc/25/90/04/1074259004.db2.gz	KTBKSFDRIAHMFY-ZWKOTPCHSA-N	1	1	416.515	1.079	20	0		HDADMO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)CC1	ZINC000674276869	1074259010	/nfs/dbraw/zinc/25/90/10/1074259010.db2.gz	KTBKSFDRIAHMFY-ZWKOTPCHSA-N	1	1	416.515	1.079	20	0		HDADMO
CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674280171	1074259799	/nfs/dbraw/zinc/25/97/99/1074259799.db2.gz	DGBMCMLFRWUKJF-KRWDZBQOSA-N	1	1	403.527	1.397	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC[C@H]3C(=O)NC3CC3)cc2)CC1	ZINC000674317548	1074279610	/nfs/dbraw/zinc/27/96/10/1074279610.db2.gz	VPCNJHSEWWRWGQ-IBGZPJMESA-N	1	1	413.522	1.739	20	0		HDADMO
CC(C)CN(C(=O)C[NH2+][C@@H](Cn1cccn1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000674372343	1074299755	/nfs/dbraw/zinc/29/97/55/1074299755.db2.gz	ZQCCSKVTGSMYSK-UXHICEINSA-N	1	1	418.563	1.886	20	0		HDADMO
COc1ccc(NC(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1	ZINC000674396611	1074310611	/nfs/dbraw/zinc/31/06/11/1074310611.db2.gz	UAZUJBKYBGHLBR-UHFFFAOYSA-N	1	1	412.490	1.780	20	0		HDADMO
Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1C(=O)N(C)C	ZINC000674405415	1074315972	/nfs/dbraw/zinc/31/59/72/1074315972.db2.gz	AFAQPGRZAGJUOC-GOSISDBHSA-N	1	1	416.522	1.349	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N(C)CCN3CCCS3(=O)=O)c2)CCO1	ZINC000674428250	1074330293	/nfs/dbraw/zinc/33/02/93/1074330293.db2.gz	GJQNNAQHZCTMMF-QGZVFWFLSA-N	1	1	424.567	1.084	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N(C)CCN3CCCS3(=O)=O)c2)CCO1	ZINC000674428250	1074330298	/nfs/dbraw/zinc/33/02/98/1074330298.db2.gz	GJQNNAQHZCTMMF-QGZVFWFLSA-N	1	1	424.567	1.084	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000674433620	1074332527	/nfs/dbraw/zinc/33/25/27/1074332527.db2.gz	OOWNNBBYECCFBN-SVMVAKDDSA-N	1	1	413.522	1.671	20	0		HDADMO
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000674436863	1074333912	/nfs/dbraw/zinc/33/39/12/1074333912.db2.gz	BQXSWPDUOPKWOH-PGRDOPGGSA-N	1	1	413.522	1.277	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN1CCCS1(=O)=O	ZINC000674438358	1074334830	/nfs/dbraw/zinc/33/48/30/1074334830.db2.gz	BLQYOKJNVLBLOZ-IEBWSBKVSA-N	1	1	408.568	1.574	20	0		HDADMO
O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1	ZINC000140845608	1074353505	/nfs/dbraw/zinc/35/35/05/1074353505.db2.gz	ZBMZYODPZADHNA-KRWDZBQOSA-N	1	1	405.495	1.412	20	0		HDADMO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]2COC)CC1	ZINC000674469130	1074366838	/nfs/dbraw/zinc/36/68/38/1074366838.db2.gz	GKJYKWUDTIIFIS-IBGZPJMESA-N	1	1	402.539	1.443	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CCN2C1=O	ZINC000674468544	1074367470	/nfs/dbraw/zinc/36/74/70/1074367470.db2.gz	PUSFQYVMZIQEFF-KRWDZBQOSA-N	1	1	404.486	1.921	20	0		HDADMO
CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CCN2C1=O	ZINC000674468544	1074367473	/nfs/dbraw/zinc/36/74/73/1074367473.db2.gz	PUSFQYVMZIQEFF-KRWDZBQOSA-N	1	1	404.486	1.921	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O	ZINC000674469659	1074369010	/nfs/dbraw/zinc/36/90/10/1074369010.db2.gz	JCAJAYKDEJOQKG-RHSMWYFYSA-N	1	1	422.913	1.534	20	0		HDADMO
CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O	ZINC000674469659	1074369020	/nfs/dbraw/zinc/36/90/20/1074369020.db2.gz	JCAJAYKDEJOQKG-RHSMWYFYSA-N	1	1	422.913	1.534	20	0		HDADMO
COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000674500271	1074393422	/nfs/dbraw/zinc/39/34/22/1074393422.db2.gz	TWOULZJUDICNMK-MRXNPFEDSA-N	1	1	415.943	1.284	20	0		HDADMO
CCCCN(C(=O)C[N@H+]1CCC[C@@H]1COC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000674500486	1074395542	/nfs/dbraw/zinc/39/55/42/1074395542.db2.gz	WWGDSUGGWSWPNR-OAHLLOKOSA-N	1	1	409.531	1.431	20	0		HDADMO
COc1cc(NC(=O)CC[N@@H+](C)CCN2CCCS2(=O)=O)c(OC)cc1Cl	ZINC000674494992	1074404673	/nfs/dbraw/zinc/40/46/73/1074404673.db2.gz	DDCRVZMZXKTTSE-UHFFFAOYSA-N	1	1	419.931	1.653	20	0		HDADMO
COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1	ZINC000674498091	1074409154	/nfs/dbraw/zinc/40/91/54/1074409154.db2.gz	NNRPDGLDLCCCGJ-HDICACEKSA-N	1	1	413.474	1.704	20	0		HDADMO
O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CCCN1C(=O)Nc1ccccc1	ZINC001626100157	1074409231	/nfs/dbraw/zinc/40/92/31/1074409231.db2.gz	DVXDOZUQBJIUQQ-IBGZPJMESA-N	1	1	416.522	1.681	20	0		HDADMO
C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674515866	1074412442	/nfs/dbraw/zinc/41/24/42/1074412442.db2.gz	GQSQUEJKGGWODX-AEFFLSMTSA-N	1	1	422.595	1.325	20	0		HDADMO
C[C@@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674515866	1074412458	/nfs/dbraw/zinc/41/24/58/1074412458.db2.gz	GQSQUEJKGGWODX-AEFFLSMTSA-N	1	1	422.595	1.325	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)C1	ZINC000674516776	1074419154	/nfs/dbraw/zinc/41/91/54/1074419154.db2.gz	WAESGNRGSZNZTE-CVEARBPZSA-N	1	1	405.495	1.284	20	0		HDADMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1	ZINC000674545829	1074427232	/nfs/dbraw/zinc/42/72/32/1074427232.db2.gz	BDPQLQFNMHUEQR-ZDUSSCGKSA-N	1	1	400.401	1.577	20	0		HDADMO
C[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674551556	1074434931	/nfs/dbraw/zinc/43/49/31/1074434931.db2.gz	BOFPQNFBMKRTOH-KRWDZBQOSA-N	1	1	410.584	1.184	20	0		HDADMO
C[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674551556	1074434937	/nfs/dbraw/zinc/43/49/37/1074434937.db2.gz	BOFPQNFBMKRTOH-KRWDZBQOSA-N	1	1	410.584	1.184	20	0		HDADMO
C[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000674551556	1074434943	/nfs/dbraw/zinc/43/49/43/1074434943.db2.gz	BOFPQNFBMKRTOH-KRWDZBQOSA-N	1	1	410.584	1.184	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000674564123	1074441141	/nfs/dbraw/zinc/44/11/41/1074441141.db2.gz	UPJBBYUZRZCQJP-KRWDZBQOSA-N	1	1	410.540	1.656	20	0		HDADMO
COC[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000674564123	1074441142	/nfs/dbraw/zinc/44/11/42/1074441142.db2.gz	UPJBBYUZRZCQJP-KRWDZBQOSA-N	1	1	410.540	1.656	20	0		HDADMO
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1=O	ZINC000674643041	1074502184	/nfs/dbraw/zinc/50/21/84/1074502184.db2.gz	MUWRQSPPJMJABR-SVMVAKDDSA-N	1	1	413.522	1.623	20	0		HDADMO
COCCOc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000142025454	1074508475	/nfs/dbraw/zinc/50/84/75/1074508475.db2.gz	PNEQJZMJZBTSMA-HZPDHXFCSA-N	1	1	407.511	1.654	20	0		HDADMO
C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000674672472	1074516093	/nfs/dbraw/zinc/51/60/93/1074516093.db2.gz	QMFVUVPVVAPNGJ-HTAPYJJXSA-N	1	1	416.543	1.947	20	0		HDADMO
CO[C@H]1C[C@H](NC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1(C)C	ZINC000674678923	1074520693	/nfs/dbraw/zinc/52/06/93/1074520693.db2.gz	JYOYWDYJQPZKJI-OALUTQOASA-N	1	1	417.554	1.832	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3(C(C)C)CC3)cc2)CC1	ZINC000674682098	1074521979	/nfs/dbraw/zinc/52/19/79/1074521979.db2.gz	DPFZMQWNYYEPJV-UHFFFAOYSA-N	1	1	400.523	1.955	20	0		HDADMO
COc1cccc(CCNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)n1	ZINC000674687959	1074524679	/nfs/dbraw/zinc/52/46/79/1074524679.db2.gz	UFBFMWDPHRFEFM-UHFFFAOYSA-N	1	1	406.490	1.940	20	0		HDADMO
CC1(C)Cc2cc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)ccc2O1	ZINC000674675734	1074526028	/nfs/dbraw/zinc/52/60/28/1074526028.db2.gz	JGNOMCXVJOFKCE-KRWDZBQOSA-N	1	1	407.536	1.503	20	0		HDADMO
CC1(C)Cc2cc(S(=O)(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)ccc2O1	ZINC000674675734	1074526037	/nfs/dbraw/zinc/52/60/37/1074526037.db2.gz	JGNOMCXVJOFKCE-KRWDZBQOSA-N	1	1	407.536	1.503	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H](C)CO[C@H]3CCOC3)cc2)CC1	ZINC000674695872	1074526879	/nfs/dbraw/zinc/52/68/79/1074526879.db2.gz	RXAVHXJCGIEKDL-APWZRJJASA-N	1	1	404.511	1.780	20	0		HDADMO
Cc1cccc(NC(=O)CN(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1C	ZINC000674700096	1074528076	/nfs/dbraw/zinc/52/80/76/1074528076.db2.gz	SHGWDONVGLFKCZ-IBGZPJMESA-N	1	1	417.554	1.290	20	0		HDADMO
Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(OCC2CC2)c1	ZINC000674783779	1074564335	/nfs/dbraw/zinc/56/43/35/1074564335.db2.gz	QEGLNKLJKQQMHA-OAQYLSRUSA-N	1	1	416.566	1.990	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cc(Br)cc1F	ZINC000674800844	1074570128	/nfs/dbraw/zinc/57/01/28/1074570128.db2.gz	XIZGMEOENHZATJ-CYBMUJFWSA-N	1	1	418.282	1.864	20	0		HDADMO
CC[C@H](CCO)CNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000674851284	1074592079	/nfs/dbraw/zinc/59/20/79/1074592079.db2.gz	VTHSRBZSXJMHJE-QGZVFWFLSA-N	1	1	405.543	1.427	20	0		HDADMO
COc1ccc(-n2cc(CNC(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)cc1	ZINC000674874572	1074594387	/nfs/dbraw/zinc/59/43/87/1074594387.db2.gz	OYFOAEKFIUHSHM-IBGZPJMESA-N	1	1	400.483	1.282	20	0		HDADMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC001128871526	1074611915	/nfs/dbraw/zinc/61/19/15/1074611915.db2.gz	PGORYSSGMSNISC-IERDGZPVSA-N	1	1	402.495	1.405	20	0		HDADMO
CN1CC[N@@H+](CCCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@@H](c2ccccc2)C1	ZINC000674916361	1074614085	/nfs/dbraw/zinc/61/40/85/1074614085.db2.gz	BWRQYYDVNPGMMO-FSSWDIPSSA-N	1	1	416.566	1.955	20	0		HDADMO
C[N@@H+]1CCN(CCCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@@H](c2ccccc2)C1	ZINC000674916361	1074614090	/nfs/dbraw/zinc/61/40/90/1074614090.db2.gz	BWRQYYDVNPGMMO-FSSWDIPSSA-N	1	1	416.566	1.955	20	0		HDADMO
C[N@H+]1CCN(CCCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@@H](c2ccccc2)C1	ZINC000674916361	1074614093	/nfs/dbraw/zinc/61/40/93/1074614093.db2.gz	BWRQYYDVNPGMMO-FSSWDIPSSA-N	1	1	416.566	1.955	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000674919853	1074621928	/nfs/dbraw/zinc/62/19/28/1074621928.db2.gz	MBTQVRZRJUNDOV-PMACEKPBSA-N	1	1	406.502	1.537	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000674924431	1074623499	/nfs/dbraw/zinc/62/34/99/1074623499.db2.gz	GCFDULJGQNBSFE-QYZOEREBSA-N	1	1	403.527	1.182	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1	ZINC000674926557	1074624249	/nfs/dbraw/zinc/62/42/49/1074624249.db2.gz	CIPQXSIEUFFWIM-ZWKOTPCHSA-N	1	1	401.555	1.742	20	0		HDADMO
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1	ZINC000674926557	1074624257	/nfs/dbraw/zinc/62/42/57/1074624257.db2.gz	CIPQXSIEUFFWIM-ZWKOTPCHSA-N	1	1	401.555	1.742	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1	ZINC000674917039	1074627275	/nfs/dbraw/zinc/62/72/75/1074627275.db2.gz	IFZXDYSZHUAYRN-FCHUYYIVSA-N	1	1	416.566	1.914	20	0		HDADMO
Cc1c(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000674948379	1074634807	/nfs/dbraw/zinc/63/48/07/1074634807.db2.gz	TZBSFHGGHQXJMD-UXHICEINSA-N	1	1	411.506	1.584	20	0		HDADMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1	ZINC000674979828	1074652242	/nfs/dbraw/zinc/65/22/42/1074652242.db2.gz	IYQXSINYPOBEDO-UXHICEINSA-N	1	1	416.522	1.876	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(OCCCO)CC3)cc2)CC1	ZINC000674971755	1074654840	/nfs/dbraw/zinc/65/48/40/1074654840.db2.gz	HXSKPVWNWCAOBG-UHFFFAOYSA-N	1	1	404.555	1.507	20	0		HDADMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC(OCCCO)CC1	ZINC000674982386	1074658390	/nfs/dbraw/zinc/65/83/90/1074658390.db2.gz	BTRQVVHULSTCJY-SFHVURJKSA-N	1	1	405.543	1.165	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCC(OCCCO)CC3)C2)cc(OC)c1	ZINC000674986081	1074661234	/nfs/dbraw/zinc/66/12/34/1074661234.db2.gz	WAXIRWPPFXQAIT-GOSISDBHSA-N	1	1	421.538	1.851	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCC(OCCCO)CC3)C2)cc(OC)c1	ZINC000674986081	1074661235	/nfs/dbraw/zinc/66/12/35/1074661235.db2.gz	WAXIRWPPFXQAIT-GOSISDBHSA-N	1	1	421.538	1.851	20	0		HDADMO
Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1cc[nH+]c(N2CCOCC2)n1	ZINC000553723392	1074663760	/nfs/dbraw/zinc/66/37/60/1074663760.db2.gz	QQLKNBKOXVFFNG-UHFFFAOYSA-N	1	1	411.915	1.665	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)nn1-c1cccc(F)c1	ZINC000515404592	1074679130	/nfs/dbraw/zinc/67/91/30/1074679130.db2.gz	QXUXOPJKYHJMFU-UHFFFAOYSA-N	1	1	418.517	1.600	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)nn1-c1cccc(F)c1	ZINC000515404592	1074679138	/nfs/dbraw/zinc/67/91/38/1074679138.db2.gz	QXUXOPJKYHJMFU-UHFFFAOYSA-N	1	1	418.517	1.600	20	0		HDADMO
CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CCN2C1=O	ZINC000675087401	1074703083	/nfs/dbraw/zinc/70/30/83/1074703083.db2.gz	OTDBKSBEWYNFSV-SFHVURJKSA-N	1	1	401.511	1.705	20	0		HDADMO
COC(=O)CCCc1nnc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1	ZINC000579768355	1074704065	/nfs/dbraw/zinc/70/40/65/1074704065.db2.gz	HIFHJMUVHDZJAD-UHFFFAOYSA-N	1	1	403.508	2.384	20	0		HDADMO
Cc1cc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)nn1-c1ccccc1Cl	ZINC000470934367	1074705800	/nfs/dbraw/zinc/70/58/00/1074705800.db2.gz	UISQBUNBKLARMB-HNNXBMFYSA-N	1	1	419.913	1.688	20	0		HDADMO
COc1cccc(COC[C@H](O)C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c1	ZINC000675094269	1074706609	/nfs/dbraw/zinc/70/66/09/1074706609.db2.gz	XLLKPODWNSFREP-HXUWFJFHSA-N	1	1	405.539	1.203	20	0		HDADMO
COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2	ZINC000675095806	1074707492	/nfs/dbraw/zinc/70/74/92/1074707492.db2.gz	ZNJXJHFWEHPRLW-RBUKOAKNSA-N	1	1	412.538	1.951	20	0		HDADMO
CC(=O)CSCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1	ZINC001128943325	1074710568	/nfs/dbraw/zinc/71/05/68/1074710568.db2.gz	NQDLAGFSXGFMCG-UHFFFAOYSA-N	1	1	405.564	1.796	20	0		HDADMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C[N@@H+]1Cc1ccccc1	ZINC000675106250	1074721436	/nfs/dbraw/zinc/72/14/36/1074721436.db2.gz	PNIFNAYLEMCVJX-NDUPCHFUSA-N	1	1	410.522	1.876	20	0		HDADMO
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccn(CC(F)(F)F)n1	ZINC000448298341	1074741012	/nfs/dbraw/zinc/74/10/12/1074741012.db2.gz	RBRSLVYMRWROFL-UHFFFAOYSA-N	1	1	414.407	2.528	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)nn1-c1cccc(Cl)c1	ZINC000547276716	1074746344	/nfs/dbraw/zinc/74/63/44/1074746344.db2.gz	XZXOWLWDXVWAEE-UHFFFAOYSA-N	1	1	401.898	2.541	20	0		HDADMO
CCn1c(=O)c(C(=O)C[N@H+](C)C(C)(C)COC)c(N)n(Cc2ccccc2)c1=O	ZINC000429243001	1074748053	/nfs/dbraw/zinc/74/80/53/1074748053.db2.gz	BIKGNLGQGINYAV-UHFFFAOYSA-N	1	1	402.495	1.200	20	0		HDADMO
CCn1c(=O)c(C(=O)C[N@@H+](C)C(C)(C)COC)c(N)n(Cc2ccccc2)c1=O	ZINC000429243001	1074748061	/nfs/dbraw/zinc/74/80/61/1074748061.db2.gz	BIKGNLGQGINYAV-UHFFFAOYSA-N	1	1	402.495	1.200	20	0		HDADMO
Cc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c(O[C@@H]2CCOC2)c1	ZINC000675176062	1074749031	/nfs/dbraw/zinc/74/90/31/1074749031.db2.gz	RBPHJVDWUBCBSV-LJQANCHMSA-N	1	1	404.555	1.988	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)nn1-c1ccccc1Cl	ZINC000537442015	1074755088	/nfs/dbraw/zinc/75/50/88/1074755088.db2.gz	YRXUOUULYHNDCP-AWEZNQCLSA-N	1	1	419.913	1.857	20	0		HDADMO
COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000429323103	1074760409	/nfs/dbraw/zinc/76/04/09/1074760409.db2.gz	RWPUAGFNXWSZKR-MRXNPFEDSA-N	1	1	406.527	1.841	20	0		HDADMO
COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000429323103	1074760417	/nfs/dbraw/zinc/76/04/17/1074760417.db2.gz	RWPUAGFNXWSZKR-MRXNPFEDSA-N	1	1	406.527	1.841	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000675220077	1074761406	/nfs/dbraw/zinc/76/14/06/1074761406.db2.gz	ZLLLUPYJDUTLPH-IBGZPJMESA-N	1	1	423.579	1.583	20	0		HDADMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1	ZINC000675225002	1074763870	/nfs/dbraw/zinc/76/38/70/1074763870.db2.gz	RIHVASGPPGTCLD-GOSISDBHSA-N	1	1	400.458	1.020	20	0		HDADMO
C[C@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC[N@@H+](Cc2ccccc2)C1	ZINC001128961220	1074766791	/nfs/dbraw/zinc/76/67/91/1074766791.db2.gz	REXWDRWPEQLIQQ-FCEUIQTBSA-N	1	1	401.551	1.847	20	0		HDADMO
Cc1cc(NC(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)nn1C	ZINC000555281546	1074789077	/nfs/dbraw/zinc/78/90/77/1074789077.db2.gz	YALCXYBJNISEAU-UHFFFAOYSA-N	1	1	410.478	1.593	20	0		HDADMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000675304970	1074792905	/nfs/dbraw/zinc/79/29/05/1074792905.db2.gz	VVFYOUOIUOROEH-NVXWUHKLSA-N	1	1	404.898	1.162	20	0		HDADMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1	ZINC000675306989	1074795364	/nfs/dbraw/zinc/79/53/64/1074795364.db2.gz	DENOHTBDUUCUAJ-CRAIPNDOSA-N	1	1	420.941	1.798	20	0		HDADMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1	ZINC000675306991	1074795467	/nfs/dbraw/zinc/79/54/67/1074795467.db2.gz	DENOHTBDUUCUAJ-QAPCUYQASA-N	1	1	420.941	1.798	20	0		HDADMO
C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000675317516	1074797673	/nfs/dbraw/zinc/79/76/73/1074797673.db2.gz	LWHRJBFJZFFQPX-LSTHTHJFSA-N	1	1	402.539	1.998	20	0		HDADMO
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C)nc(OC)c2)C3)CC[N@H+]1C	ZINC001005570759	1074807391	/nfs/dbraw/zinc/80/73/91/1074807391.db2.gz	HRDJFSJLXLANAZ-ZRSRNVLSSA-N	1	1	400.523	1.991	20	0		HDADMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@H]21	ZINC000766106921	1074812470	/nfs/dbraw/zinc/81/24/70/1074812470.db2.gz	GASTWDMPHAKOON-WTGUMLROSA-N	1	1	401.507	1.701	20	0		HDADMO
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000429333372	1074819632	/nfs/dbraw/zinc/81/96/32/1074819632.db2.gz	YTAXDWBRRSJGAZ-ROUUACIJSA-N	1	1	411.568	1.358	20	0		HDADMO
C[C@H](C[C@H]1CCOC1)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1	ZINC000675367499	1074822269	/nfs/dbraw/zinc/82/22/69/1074822269.db2.gz	ORDWLDMHQXUQNO-QZTJIDSGSA-N	1	1	417.554	1.833	20	0		HDADMO
C[C@@H](CNC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)CN1CC[NH+](C)CC1	ZINC000429334979	1075107386	/nfs/dbraw/zinc/10/73/86/1075107386.db2.gz	UULNIUGTMOSMOK-FPOVZHCZSA-N	1	1	415.582	1.403	20	0		HDADMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1	ZINC000429247854	1075116379	/nfs/dbraw/zinc/11/63/79/1075116379.db2.gz	XPVZSWACZIDWPI-GOSISDBHSA-N	1	1	407.580	1.648	20	0		HDADMO
CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1	ZINC000670514050	1075119923	/nfs/dbraw/zinc/11/99/23/1075119923.db2.gz	LEZWPFAKIKKZRS-UHFFFAOYSA-N	1	1	401.429	1.279	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H]3CCOC3)CC2)C1	ZINC000675401498	1075127179	/nfs/dbraw/zinc/12/71/79/1075127179.db2.gz	AQWPSBCEEPYWSR-QZTJIDSGSA-N	1	1	416.522	1.031	20	0		HDADMO
Cc1cc(NC(=O)CSCC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)no1	ZINC000580805267	1075132062	/nfs/dbraw/zinc/13/20/62/1075132062.db2.gz	PSRFVSGQOJCHPL-UHFFFAOYSA-N	1	1	403.508	2.275	20	0		HDADMO
COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n(C)c(=O)n2C)c1	ZINC000766123997	1075133034	/nfs/dbraw/zinc/13/30/34/1075133034.db2.gz	ZARUYMXRPIOUMD-OAQYLSRUSA-N	1	1	409.486	1.828	20	0		HDADMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1	ZINC000429249724	1075133049	/nfs/dbraw/zinc/13/30/49/1075133049.db2.gz	UEYQHHJBUMYRMP-UHFFFAOYSA-N	1	1	407.580	1.396	20	0		HDADMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1	ZINC000670525658	1075147853	/nfs/dbraw/zinc/14/78/53/1075147853.db2.gz	ZONFLGRVJOJIFM-LJQANCHMSA-N	1	1	424.501	1.798	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCOC)n2)CC[N@@H+]1Cc1ccccc1	ZINC000537264768	1075154100	/nfs/dbraw/zinc/15/41/00/1075154100.db2.gz	KPKCVKLVGNNKLV-LJQANCHMSA-N	1	1	413.522	1.981	20	0		HDADMO
CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCOC)n2)CC[N@H+]1Cc1ccccc1	ZINC000537264768	1075154110	/nfs/dbraw/zinc/15/41/10/1075154110.db2.gz	KPKCVKLVGNNKLV-LJQANCHMSA-N	1	1	413.522	1.981	20	0		HDADMO
COCCCn1ccc(NC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1	ZINC000605935486	1075156192	/nfs/dbraw/zinc/15/61/92/1075156192.db2.gz	UUMQMKWQIXKHGT-KRWDZBQOSA-N	1	1	401.515	1.647	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)CC[C@@H]3CCCO3)CC2)CC1	ZINC000675460802	1075162423	/nfs/dbraw/zinc/16/24/23/1075162423.db2.gz	JQNUEFPLEWCJAX-SFHVURJKSA-N	1	1	401.573	1.152	20	0		HDADMO
CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC001299295686	1075164570	/nfs/dbraw/zinc/16/45/70/1075164570.db2.gz	IIHOOXJIPJVWNB-WBVHZDCISA-N	1	1	410.588	1.404	20	0		HDADMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1	ZINC000675497055	1075177369	/nfs/dbraw/zinc/17/73/69/1075177369.db2.gz	UPCSWFWEWFEPMM-RBUKOAKNSA-N	1	1	405.587	1.635	20	0		HDADMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1	ZINC000675497055	1075177370	/nfs/dbraw/zinc/17/73/70/1075177370.db2.gz	UPCSWFWEWFEPMM-RBUKOAKNSA-N	1	1	405.587	1.635	20	0		HDADMO
CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)c1	ZINC000675500485	1075185546	/nfs/dbraw/zinc/18/55/46/1075185546.db2.gz	YBNIDLTZGYKCTE-KRWDZBQOSA-N	1	1	402.539	1.662	20	0		HDADMO
CC[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500976	1075185601	/nfs/dbraw/zinc/18/56/01/1075185601.db2.gz	RKBJDMNLVYFQPW-VQTJNVASSA-N	1	1	423.579	1.885	20	0		HDADMO
CC[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500976	1075185603	/nfs/dbraw/zinc/18/56/03/1075185603.db2.gz	RKBJDMNLVYFQPW-VQTJNVASSA-N	1	1	423.579	1.885	20	0		HDADMO
CC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500500	1075185640	/nfs/dbraw/zinc/18/56/40/1075185640.db2.gz	VVRJQDDIDKASDI-GBESFXJTSA-N	1	1	409.552	1.206	20	0		HDADMO
CC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500500	1075185644	/nfs/dbraw/zinc/18/56/44/1075185644.db2.gz	VVRJQDDIDKASDI-GBESFXJTSA-N	1	1	409.552	1.206	20	0		HDADMO
CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675500949	1075185661	/nfs/dbraw/zinc/18/56/61/1075185661.db2.gz	QQIKRRGNGFCERV-ZCNNSNEGSA-N	1	1	423.579	1.596	20	0		HDADMO
CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675500949	1075185665	/nfs/dbraw/zinc/18/56/65/1075185665.db2.gz	QQIKRRGNGFCERV-ZCNNSNEGSA-N	1	1	423.579	1.596	20	0		HDADMO
C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CCS(=O)(=O)N(C)C)CC3)cc2NC1=O	ZINC000509347844	1075193850	/nfs/dbraw/zinc/19/38/50/1075193850.db2.gz	FTJUZMHZCSLUDU-CYBMUJFWSA-N	1	1	409.508	1.192	20	0		HDADMO
C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1	ZINC000675537269	1075193876	/nfs/dbraw/zinc/19/38/76/1075193876.db2.gz	OSOLOCCNPPWKLD-SJLPKXTDSA-N	1	1	414.510	1.503	20	0		HDADMO
Cc1cc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)n(-c2nc(C)cc(C)n2)n1	ZINC000675529251	1075200429	/nfs/dbraw/zinc/20/04/29/1075200429.db2.gz	MNVRNLMCGBNWSR-UHFFFAOYSA-N	1	1	414.514	1.215	20	0		HDADMO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1	ZINC000675529839	1075200712	/nfs/dbraw/zinc/20/07/12/1075200712.db2.gz	XEIRXYSLEILJDX-UHFFFAOYSA-N	1	1	409.412	1.737	20	0		HDADMO
COc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc(Cl)c1OCC(N)=O	ZINC000032298553	1075203015	/nfs/dbraw/zinc/20/30/15/1075203015.db2.gz	OTEKMASYPYUTTF-HNNXBMFYSA-N	1	1	413.902	1.299	20	0		HDADMO
COCCn1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1	ZINC000444586809	1075205552	/nfs/dbraw/zinc/20/55/52/1075205552.db2.gz	RKMHZWIANJGWTP-YQQQUEKLSA-N	1	1	411.506	1.780	20	0		HDADMO
C[C@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC[N@H+](C2CCC2)C1	ZINC000429360407	1075209967	/nfs/dbraw/zinc/20/99/67/1075209967.db2.gz	ANDTYRUKXGUAAK-PXNSSMCTSA-N	1	1	411.612	1.751	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C(C)C	ZINC000550417410	1075213757	/nfs/dbraw/zinc/21/37/57/1075213757.db2.gz	LGEZXXXSMDJLCF-UHFFFAOYSA-N	1	1	422.327	2.420	20	0		HDADMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000675584617	1075214577	/nfs/dbraw/zinc/21/45/77/1075214577.db2.gz	DPGNCRJWUCPTGT-IRXDYDNUSA-N	1	1	401.467	1.547	20	0		HDADMO
Cc1cc(N2CCC(NC(=O)[C@@H](C)NC(=O)COc3ccccc3)CC2)nc(C)[nH+]1	ZINC000509352383	1075216477	/nfs/dbraw/zinc/21/64/77/1075216477.db2.gz	YKVHSFYAZOSWOL-MRXNPFEDSA-N	1	1	411.506	1.762	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@@H+]1CCc2sccc2C1	ZINC000675586582	1075217173	/nfs/dbraw/zinc/21/71/73/1075217173.db2.gz	CBJXFXGAXKOCFH-WMLDXEAASA-N	1	1	417.535	1.625	20	0		HDADMO
C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@H+]1CCc2sccc2C1	ZINC000675586582	1075217179	/nfs/dbraw/zinc/21/71/79/1075217179.db2.gz	CBJXFXGAXKOCFH-WMLDXEAASA-N	1	1	417.535	1.625	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)C1CCOCC1	ZINC000675568281	1075217885	/nfs/dbraw/zinc/21/78/85/1075217885.db2.gz	ONZQHQFTXLJKPE-KRWDZBQOSA-N	1	1	417.554	1.833	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000675605462	1075221110	/nfs/dbraw/zinc/22/11/10/1075221110.db2.gz	MJBVEDAFZSSLSC-QUCCMNQESA-N	1	1	414.550	1.624	20	0		HDADMO
CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000675605462	1075221117	/nfs/dbraw/zinc/22/11/17/1075221117.db2.gz	MJBVEDAFZSSLSC-QUCCMNQESA-N	1	1	414.550	1.624	20	0		HDADMO
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)no1	ZINC000448200560	1075222916	/nfs/dbraw/zinc/22/29/16/1075222916.db2.gz	FFLUDAAXONQAJQ-ZOBUZTSGSA-N	1	1	406.552	2.519	20	0		HDADMO
Cc1nccc(NCc2cccc(C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)c2)n1	ZINC000543638188	1075227387	/nfs/dbraw/zinc/22/73/87/1075227387.db2.gz	SZHRYCRPNKYQMK-FQEVSTJZSA-N	1	1	422.533	1.776	20	0		HDADMO
COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1	ZINC000441692189	1075227467	/nfs/dbraw/zinc/22/74/67/1075227467.db2.gz	SMDNGDGJIXACOQ-HUUCEWRRSA-N	1	1	410.478	2.401	20	0		HDADMO
CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2cc(C)n(C3CCCCC3)n2)CC1	ZINC000564472771	1075231735	/nfs/dbraw/zinc/23/17/35/1075231735.db2.gz	DXPQXJASIUEIQE-UHFFFAOYSA-N	1	1	418.586	2.169	20	0		HDADMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1	ZINC000675595218	1075232658	/nfs/dbraw/zinc/23/26/58/1075232658.db2.gz	KLPGOADGSUNPEH-WOJBJXKFSA-N	1	1	411.506	1.734	20	0		HDADMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(C(=O)OC)nn2)CC1	ZINC000619628005	1075233218	/nfs/dbraw/zinc/23/32/18/1075233218.db2.gz	QMLBHPWCNAIISD-UHFFFAOYSA-N	1	1	412.494	1.722	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000675594686	1075233406	/nfs/dbraw/zinc/23/34/06/1075233406.db2.gz	BJKYUZORDOVYRC-OXJNMPFZSA-N	1	1	411.506	1.637	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000675594686	1075233408	/nfs/dbraw/zinc/23/34/08/1075233408.db2.gz	BJKYUZORDOVYRC-OXJNMPFZSA-N	1	1	411.506	1.637	20	0		HDADMO
O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000675598446	1075235369	/nfs/dbraw/zinc/23/53/69/1075235369.db2.gz	UYBLSBRZEDUXFH-QUCCMNQESA-N	1	1	411.506	1.231	20	0		HDADMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C[C@@H]1C	ZINC000446794882	1075237050	/nfs/dbraw/zinc/23/70/50/1075237050.db2.gz	FCHZIDDDAZFGDP-GJZGRUSLSA-N	1	1	402.474	1.985	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000804220254	1075240129	/nfs/dbraw/zinc/24/01/29/1075240129.db2.gz	SCXDKYGIGUBGCY-HRAATJIYSA-N	1	1	412.575	1.986	20	0		HDADMO
COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)n1	ZINC000426682285	1075246015	/nfs/dbraw/zinc/24/60/15/1075246015.db2.gz	HIGHZXAPUFCVCB-HOCLYGCPSA-N	1	1	403.483	1.884	20	0		HDADMO
O=C(NCc1csc(-c2ccco2)n1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000675652399	1075247350	/nfs/dbraw/zinc/24/73/50/1075247350.db2.gz	KRIXPGXGUNZMFD-HNNXBMFYSA-N	1	1	405.524	1.609	20	0		HDADMO
Cc1nc2sccn2c(=O)c1CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000509360087	1075250317	/nfs/dbraw/zinc/25/03/17/1075250317.db2.gz	UHKNCAQGMBMPCV-UHFFFAOYSA-N	1	1	417.579	1.673	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000675664452	1075251333	/nfs/dbraw/zinc/25/13/33/1075251333.db2.gz	MSIVWAWHJBMFLH-RTBURBONSA-N	1	1	409.552	1.152	20	0		HDADMO
C[C@@](O)(CNC(=O)Nc1cc(Br)c(F)cc1F)C[NH+]1CCOCC1	ZINC000466694046	1075253270	/nfs/dbraw/zinc/25/32/70/1075253270.db2.gz	CXTFOYVVGUXEGD-OAHLLOKOSA-N	1	1	408.243	1.932	20	0		HDADMO
COc1cc(OC)cc([C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2nccn2C)c1	ZINC000675738830	1075261673	/nfs/dbraw/zinc/26/16/73/1075261673.db2.gz	OLRUGQBFTNREHV-SFHVURJKSA-N	1	1	408.524	1.540	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)[C@H]1C(C)C	ZINC000429377250	1075267812	/nfs/dbraw/zinc/26/78/12/1075267812.db2.gz	ISMYYAOXDVYMAW-BJLQDIEVSA-N	1	1	402.491	1.632	20	0		HDADMO
Cc1c([C@@H](C)NCC(=O)N2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1	ZINC000675782449	1075270983	/nfs/dbraw/zinc/27/09/83/1075270983.db2.gz	RYLAVAXNZROKQM-CYBMUJFWSA-N	1	1	421.343	1.763	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[C@@H](CS(C)(=O)=O)C3)CC2)cc1	ZINC000429376550	1075271891	/nfs/dbraw/zinc/27/18/91/1075271891.db2.gz	GASPDIAWWHLDJW-HXUWFJFHSA-N	1	1	407.580	1.396	20	0		HDADMO
O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2cc[nH+]c(N3CCOCC3)n2)c1	ZINC000572775617	1075272938	/nfs/dbraw/zinc/27/29/38/1075272938.db2.gz	TVKDUKROZXKRTN-UHFFFAOYSA-N	1	1	422.489	2.294	20	0		HDADMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)c3cnn(C(C)(C)C)c3)n2)c1C	ZINC000447701626	1075281033	/nfs/dbraw/zinc/28/10/33/1075281033.db2.gz	UDLSXJMFDHYMRO-UHFFFAOYSA-N	1	1	411.466	2.120	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000466705820	1075284522	/nfs/dbraw/zinc/28/45/22/1075284522.db2.gz	PAVHOCBFIXNIMD-LPHOPBHVSA-N	1	1	421.501	1.934	20	0		HDADMO
COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)Cn2c[nH+]c3c2CCCC3)c1	ZINC000543651111	1075285632	/nfs/dbraw/zinc/28/56/32/1075285632.db2.gz	HDPGRMGCTQAITM-UHFFFAOYSA-N	1	1	411.466	1.413	20	0		HDADMO
CC(C)[N@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1	ZINC000470683746	1075291889	/nfs/dbraw/zinc/29/18/89/1075291889.db2.gz	RATPCIVLEVXVHM-AWEZNQCLSA-N	1	1	401.554	1.372	20	0		HDADMO
O=c1ccccn1CCNc1cc(NCCn2ccccc2=O)c2ccncc2[nH+]1	ZINC000567934988	1075298394	/nfs/dbraw/zinc/29/83/94/1075298394.db2.gz	WUYQKDZPWANLHJ-UHFFFAOYSA-N	1	1	402.458	2.177	20	0		HDADMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C[N@H+]1Cc1ccccc1	ZINC000466706461	1075299674	/nfs/dbraw/zinc/29/96/74/1075299674.db2.gz	WDGGUZRTCMGAHO-QFBILLFUSA-N	1	1	404.474	1.985	20	0		HDADMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccn(C(C)C)n3)C2)cc(OC)c1	ZINC000484117139	1075300193	/nfs/dbraw/zinc/30/01/93/1075300193.db2.gz	RXEOICMYXCBRGG-INIZCTEOSA-N	1	1	415.494	1.810	20	0		HDADMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccn(C(C)C)n3)C2)cc(OC)c1	ZINC000484117139	1075300196	/nfs/dbraw/zinc/30/01/96/1075300196.db2.gz	RXEOICMYXCBRGG-INIZCTEOSA-N	1	1	415.494	1.810	20	0		HDADMO
Cc1ccc(NCCCNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[nH+]c1	ZINC000503408297	1075303460	/nfs/dbraw/zinc/30/34/60/1075303460.db2.gz	RPVZZACUMHPQNB-UHFFFAOYSA-N	1	1	402.499	1.746	20	0		HDADMO
Cc1ccc(NCCCNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)nc1	ZINC000548444760	1075304956	/nfs/dbraw/zinc/30/49/56/1075304956.db2.gz	KALVQMJZAOQENH-LJQANCHMSA-N	1	1	411.554	2.097	20	0		HDADMO
CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1	ZINC000731296789	1075305944	/nfs/dbraw/zinc/30/59/44/1075305944.db2.gz	NERSHSVWQYIGKC-IRXDYDNUSA-N	1	1	410.540	1.667	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000675929527	1075306355	/nfs/dbraw/zinc/30/63/55/1075306355.db2.gz	LLFHAEAZYLGFLY-UHFFFAOYSA-N	1	1	401.338	1.658	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000675929527	1075306359	/nfs/dbraw/zinc/30/63/59/1075306359.db2.gz	LLFHAEAZYLGFLY-UHFFFAOYSA-N	1	1	401.338	1.658	20	0		HDADMO
COc1ccc2[nH]cc(CCNC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2c1	ZINC000675987802	1075314863	/nfs/dbraw/zinc/31/48/63/1075314863.db2.gz	SETAIZVHGBUYCF-FQEVSTJZSA-N	1	1	413.522	1.667	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1	ZINC000675990618	1075316045	/nfs/dbraw/zinc/31/60/45/1075316045.db2.gz	HISKOAJCZJQCFT-WMLDXEAASA-N	1	1	400.445	1.754	20	0		HDADMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1	ZINC000675990619	1075316157	/nfs/dbraw/zinc/31/61/57/1075316157.db2.gz	HISKOAJCZJQCFT-YOEHRIQHSA-N	1	1	400.445	1.754	20	0		HDADMO
COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1	ZINC000675973854	1075316512	/nfs/dbraw/zinc/31/65/12/1075316512.db2.gz	WQHKNAAPQYLYNY-UHFFFAOYSA-N	1	1	420.491	1.288	20	0		HDADMO
C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1	ZINC000731357696	1075320091	/nfs/dbraw/zinc/32/00/91/1075320091.db2.gz	NPBUJWPGDSCFHU-UHFFFAOYSA-N	1	1	400.932	1.300	20	0		HDADMO
C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1nc(Cc2ccccc2)no1	ZINC000429386490	1075320701	/nfs/dbraw/zinc/32/07/01/1075320701.db2.gz	ZJTDSEVMKVXSNN-HNNXBMFYSA-N	1	1	414.510	1.573	20	0		HDADMO
CO[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1Cl	ZINC000676004185	1075322403	/nfs/dbraw/zinc/32/24/03/1075322403.db2.gz	RMAZOKXARBQCKD-QZTJIDSGSA-N	1	1	408.930	1.976	20	0		HDADMO
c1cc2c(cn1)nc(NCCN1CCSCC1)cc2NCC[NH+]1CCSCC1	ZINC000573707942	1075322408	/nfs/dbraw/zinc/32/24/08/1075322408.db2.gz	NZLONZARWAVFQS-UHFFFAOYSA-N	1	1	418.636	2.551	20	0		HDADMO
O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CCCCC2)C1=O	ZINC000676020107	1075326023	/nfs/dbraw/zinc/32/60/23/1075326023.db2.gz	HQXYPYZXWWZXPI-REWPJTCUSA-N	1	1	414.550	1.856	20	0		HDADMO
Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)NCCOc3cccnc3)CC2)oc1C	ZINC000804077210	1075332416	/nfs/dbraw/zinc/33/24/16/1075332416.db2.gz	JZZFMGKQEPUOLX-UHFFFAOYSA-N	1	1	415.494	1.210	20	0		HDADMO
CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)C[C@@H]2C)CC1	ZINC000676056034	1075334602	/nfs/dbraw/zinc/33/46/02/1075334602.db2.gz	QRNIADCCOGNSIP-WAOWUJCRSA-N	1	1	414.550	1.514	20	0		HDADMO
C[N@H+](CCOC(C)(C)C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000676041340	1075338346	/nfs/dbraw/zinc/33/83/46/1075338346.db2.gz	GSYPGYKTBQZHDO-IBGZPJMESA-N	1	1	419.522	1.244	20	0		HDADMO
C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000676041340	1075338352	/nfs/dbraw/zinc/33/83/52/1075338352.db2.gz	GSYPGYKTBQZHDO-IBGZPJMESA-N	1	1	419.522	1.244	20	0		HDADMO
Cc1ccn(-c2ccccc2CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1	ZINC000676048841	1075340235	/nfs/dbraw/zinc/34/02/35/1075340235.db2.gz	VXOBIFQGHWVLMH-FQEVSTJZSA-N	1	1	412.538	1.386	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC2N=NC(=S)N2C(C)C)CC1=O	ZINC000731447279	1075344119	/nfs/dbraw/zinc/34/41/19/1075344119.db2.gz	UIDSEAWZWNZTJA-LSDHHAIUSA-N	1	1	408.572	1.139	20	0		HDADMO
CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1	ZINC000466711843	1075346694	/nfs/dbraw/zinc/34/66/94/1075346694.db2.gz	DUHMOYOJQUKMTB-APWZRJJASA-N	1	1	424.501	1.529	20	0		HDADMO
COCCc1cc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)n(C)n1	ZINC000676092022	1075353146	/nfs/dbraw/zinc/35/31/46/1075353146.db2.gz	SASOQHMMZUEGFC-UHFFFAOYSA-N	1	1	413.522	1.590	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C[N@H+]1Cc1ccccc1	ZINC000466711159	1075356995	/nfs/dbraw/zinc/35/69/95/1075356995.db2.gz	RNFIIVMISOCZNJ-CRAIPNDOSA-N	1	1	405.462	1.380	20	0		HDADMO
CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000731470185	1075358478	/nfs/dbraw/zinc/35/84/78/1075358478.db2.gz	SJAQJTAXZIDBKL-HNNXBMFYSA-N	1	1	409.533	1.276	20	0		HDADMO
CC[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CCc2ccccc2C1	ZINC000676089862	1075372136	/nfs/dbraw/zinc/37/21/36/1075372136.db2.gz	KAYXNDVBELNYQF-HXUWFJFHSA-N	1	1	412.538	1.336	20	0		HDADMO
C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)cn1	ZINC000676090534	1075374873	/nfs/dbraw/zinc/37/48/73/1075374873.db2.gz	XZJPIGAGIGNZEU-MRXNPFEDSA-N	1	1	404.540	1.398	20	0		HDADMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000804088226	1075379915	/nfs/dbraw/zinc/37/99/15/1075379915.db2.gz	BEUHUBOMJNHUNV-AIANPOQGSA-N	1	1	408.543	1.537	20	0		HDADMO
C[C@]1(c2cccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)c2)NC(=O)NC1=O	ZINC000676113914	1075386593	/nfs/dbraw/zinc/38/65/93/1075386593.db2.gz	XCSXDVJXSIVSFO-DYESRHJHSA-N	1	1	400.479	1.068	20	0		HDADMO
Cc1cc(F)cc2c(O)c(C(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)cnc12	ZINC000676133872	1075392180	/nfs/dbraw/zinc/39/21/80/1075392180.db2.gz	FHEXMACRXXMPDC-KRWDZBQOSA-N	1	1	400.454	1.530	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)n2)cc1	ZINC000446048029	1075393394	/nfs/dbraw/zinc/39/33/94/1075393394.db2.gz	RYISJIPBDYZAQW-SFHVURJKSA-N	1	1	413.522	2.211	20	0		HDADMO
COc1ccc(Br)c(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000676134184	1075393412	/nfs/dbraw/zinc/39/34/12/1075393412.db2.gz	KJZXRFVVRWGACU-KRWDZBQOSA-N	1	1	424.339	1.941	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c2cccs2)CC1	ZINC000676136722	1075393808	/nfs/dbraw/zinc/39/38/08/1075393808.db2.gz	FONPXDOYCCFXCD-GVDBMIGSSA-N	1	1	405.568	1.489	20	0		HDADMO
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1	ZINC000804094453	1075394191	/nfs/dbraw/zinc/39/41/91/1075394191.db2.gz	VQBWMVKDQAJYHH-HZPDHXFCSA-N	1	1	408.543	1.635	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)n2)cc1	ZINC000426937068	1075398126	/nfs/dbraw/zinc/39/81/26/1075398126.db2.gz	MMPYPYRUFUQLKG-HKUYNNGSSA-N	1	1	411.506	1.821	20	0		HDADMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCOc3ccc(C=O)cc3)cc2)CC1	ZINC000731608594	1075398849	/nfs/dbraw/zinc/39/88/49/1075398849.db2.gz	GJIULBUPBXHHJR-UHFFFAOYSA-N	1	1	409.486	1.972	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncoc2C(C)(C)C)C3)O1	ZINC001006218643	1075402343	/nfs/dbraw/zinc/40/23/43/1075402343.db2.gz	JAMKUIKVGCRNLN-DGXTUMSLSA-N	1	1	404.511	1.553	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncoc2C(C)(C)C)C3)O1	ZINC001006218643	1075402351	/nfs/dbraw/zinc/40/23/51/1075402351.db2.gz	JAMKUIKVGCRNLN-DGXTUMSLSA-N	1	1	404.511	1.553	20	0		HDADMO
COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]3CCC[C@H](C)C3)n2)cc1	ZINC000426674503	1075403970	/nfs/dbraw/zinc/40/39/70/1075403970.db2.gz	KDHFDWXSXOVCJR-IRXDYDNUSA-N	1	1	413.522	2.115	20	0		HDADMO
COc1ccc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(C)=O	ZINC000676203965	1075425716	/nfs/dbraw/zinc/42/57/16/1075425716.db2.gz	RJINONHMUIUOBU-GASCZTMLSA-N	1	1	413.540	1.821	20	0		HDADMO
COc1ccc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(C)=O	ZINC000676203965	1075425718	/nfs/dbraw/zinc/42/57/18/1075425718.db2.gz	RJINONHMUIUOBU-GASCZTMLSA-N	1	1	413.540	1.821	20	0		HDADMO
COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1	ZINC000556528134	1075426881	/nfs/dbraw/zinc/42/68/81/1075426881.db2.gz	ZTCKGPSJHACCOO-YVEFUNNKSA-N	1	1	421.860	2.025	20	0		HDADMO
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cc(C)[nH+]c1C	ZINC000676199000	1075433549	/nfs/dbraw/zinc/43/35/49/1075433549.db2.gz	LEENQEDVFCNNEZ-UHFFFAOYSA-N	1	1	408.480	1.168	20	0		HDADMO
Cc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)ccc12	ZINC000731655041	1075439515	/nfs/dbraw/zinc/43/95/15/1075439515.db2.gz	CPIHMPSOZVXZAK-UHFFFAOYSA-N	1	1	401.463	1.149	20	0		HDADMO
C[C@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN(C)CCO1	ZINC000676243051	1075444203	/nfs/dbraw/zinc/44/42/03/1075444203.db2.gz	GVVAWQQKJJTSNI-RBBKRZOGSA-N	1	1	417.598	1.603	20	0		HDADMO
C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676242548	1075444600	/nfs/dbraw/zinc/44/46/00/1075444600.db2.gz	XQJRKRNWWQEXSH-LPHOPBHVSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676242548	1075444603	/nfs/dbraw/zinc/44/46/03/1075444603.db2.gz	XQJRKRNWWQEXSH-LPHOPBHVSA-N	1	1	424.567	1.380	20	0		HDADMO
C[C@H](NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)[C@H]1CN(C)CCO1	ZINC000676243786	1075445358	/nfs/dbraw/zinc/44/53/58/1075445358.db2.gz	XUEYWNNGXSVETF-CEWLAPEOSA-N	1	1	403.571	1.384	20	0		HDADMO
C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[C@H]1C[N@H+](C)CCO1	ZINC000676248080	1075448433	/nfs/dbraw/zinc/44/84/33/1075448433.db2.gz	MEUKJXVHPXQXHE-RVKKMQEKSA-N	1	1	417.510	1.111	20	0		HDADMO
C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1	ZINC000676248080	1075448437	/nfs/dbraw/zinc/44/84/37/1075448437.db2.gz	MEUKJXVHPXQXHE-RVKKMQEKSA-N	1	1	417.510	1.111	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676257098	1075450799	/nfs/dbraw/zinc/45/07/99/1075450799.db2.gz	MMCJUHGVDGAFGL-KDOFPFPSSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676257098	1075450813	/nfs/dbraw/zinc/45/08/13/1075450813.db2.gz	MMCJUHGVDGAFGL-KDOFPFPSSA-N	1	1	423.560	1.676	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676256741	1075451463	/nfs/dbraw/zinc/45/14/63/1075451463.db2.gz	FWHNDTOEMPRCII-PBHICJAKSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676256741	1075451469	/nfs/dbraw/zinc/45/14/69/1075451469.db2.gz	FWHNDTOEMPRCII-PBHICJAKSA-N	1	1	413.515	1.062	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1	ZINC000676256505	1075452079	/nfs/dbraw/zinc/45/20/79/1075452079.db2.gz	ADLXMRXYVCBSDD-UHOSZYNNSA-N	1	1	409.552	1.064	20	0		HDADMO
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676256505	1075452084	/nfs/dbraw/zinc/45/20/84/1075452084.db2.gz	ADLXMRXYVCBSDD-UHOSZYNNSA-N	1	1	409.552	1.064	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676258069	1075452183	/nfs/dbraw/zinc/45/21/83/1075452183.db2.gz	CUTXYADIWULLIV-CRAIPNDOSA-N	1	1	411.568	1.488	20	0		HDADMO
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676258069	1075452184	/nfs/dbraw/zinc/45/21/84/1075452184.db2.gz	CUTXYADIWULLIV-CRAIPNDOSA-N	1	1	411.568	1.488	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000676259021	1075454901	/nfs/dbraw/zinc/45/49/01/1075454901.db2.gz	ZUSHVQQPCMRBTD-KBXCAEBGSA-N	1	1	413.540	1.175	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000676259021	1075454903	/nfs/dbraw/zinc/45/49/03/1075454903.db2.gz	ZUSHVQQPCMRBTD-KBXCAEBGSA-N	1	1	413.540	1.175	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676258647	1075455428	/nfs/dbraw/zinc/45/54/28/1075455428.db2.gz	VKRYLMBMWZDLGO-APWZRJJASA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676258647	1075455434	/nfs/dbraw/zinc/45/54/34/1075455434.db2.gz	VKRYLMBMWZDLGO-APWZRJJASA-N	1	1	409.552	1.700	20	0		HDADMO
C[C@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1	ZINC000676260082	1075455990	/nfs/dbraw/zinc/45/59/90/1075455990.db2.gz	DHFPMYGSQRYHGS-WMLDXEAASA-N	1	1	416.478	1.746	20	0		HDADMO
C[C@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676260082	1075455994	/nfs/dbraw/zinc/45/59/94/1075455994.db2.gz	DHFPMYGSQRYHGS-WMLDXEAASA-N	1	1	416.478	1.746	20	0		HDADMO
C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000676259214	1075456976	/nfs/dbraw/zinc/45/69/76/1075456976.db2.gz	JGGCJLGMGKEJEX-ABAIWWIYSA-N	1	1	424.295	1.271	20	0		HDADMO
C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000676259214	1075456979	/nfs/dbraw/zinc/45/69/79/1075456979.db2.gz	JGGCJLGMGKEJEX-ABAIWWIYSA-N	1	1	424.295	1.271	20	0		HDADMO
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676260643	1075458729	/nfs/dbraw/zinc/45/87/29/1075458729.db2.gz	GQJSZKITCLYFNM-SWLSCSKDSA-N	1	1	408.442	1.400	20	0		HDADMO
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676260643	1075458733	/nfs/dbraw/zinc/45/87/33/1075458733.db2.gz	GQJSZKITCLYFNM-SWLSCSKDSA-N	1	1	408.442	1.400	20	0		HDADMO
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676260641	1075458863	/nfs/dbraw/zinc/45/88/63/1075458863.db2.gz	GQJSZKITCLYFNM-DOMZBBRYSA-N	1	1	408.442	1.400	20	0		HDADMO
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676260641	1075458866	/nfs/dbraw/zinc/45/88/66/1075458866.db2.gz	GQJSZKITCLYFNM-DOMZBBRYSA-N	1	1	408.442	1.400	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)s1	ZINC000676260305	1075459361	/nfs/dbraw/zinc/45/93/61/1075459361.db2.gz	SYIOBDQDUKVSPK-JYJNAYRXSA-N	1	1	415.581	1.293	20	0		HDADMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)s1	ZINC000676260305	1075459363	/nfs/dbraw/zinc/45/93/63/1075459363.db2.gz	SYIOBDQDUKVSPK-JYJNAYRXSA-N	1	1	415.581	1.293	20	0		HDADMO
COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(c2nccn(C)c2=O)CC1	ZINC000466721725	1075459527	/nfs/dbraw/zinc/45/95/27/1075459527.db2.gz	GALSPPFMVPOTLK-UHFFFAOYSA-N	1	1	405.886	1.593	20	0		HDADMO
C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1C[N@H+](C)CCO1	ZINC000676262063	1075459951	/nfs/dbraw/zinc/45/99/51/1075459951.db2.gz	VNQXMNJECSOXJS-NHYWBVRUSA-N	1	1	416.291	1.543	20	0		HDADMO
C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262063	1075459960	/nfs/dbraw/zinc/45/99/60/1075459960.db2.gz	VNQXMNJECSOXJS-NHYWBVRUSA-N	1	1	416.291	1.543	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676262896	1075461268	/nfs/dbraw/zinc/46/12/68/1075461268.db2.gz	OPPPGWHIKVJYMN-MLGOLLRUSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676262896	1075461270	/nfs/dbraw/zinc/46/12/70/1075461270.db2.gz	OPPPGWHIKVJYMN-MLGOLLRUSA-N	1	1	400.476	1.206	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676262777	1075461276	/nfs/dbraw/zinc/46/12/76/1075461276.db2.gz	LSBFPYMOKLHTKX-ZVZYQTTQSA-N	1	1	411.524	1.480	20	0		HDADMO
C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676262777	1075461279	/nfs/dbraw/zinc/46/12/79/1075461279.db2.gz	LSBFPYMOKLHTKX-ZVZYQTTQSA-N	1	1	411.524	1.480	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676263757	1075462362	/nfs/dbraw/zinc/46/23/62/1075462362.db2.gz	CBXHUXAKFMCMGN-CXAGYDPISA-N	1	1	414.528	1.176	20	0		HDADMO
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676263757	1075462366	/nfs/dbraw/zinc/46/23/66/1075462366.db2.gz	CBXHUXAKFMCMGN-CXAGYDPISA-N	1	1	414.528	1.176	20	0		HDADMO
Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1	ZINC000676264681	1075463208	/nfs/dbraw/zinc/46/32/08/1075463208.db2.gz	XLPRQDFFPUPIKH-YOEHRIQHSA-N	1	1	410.540	1.585	20	0		HDADMO
Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1	ZINC000676264681	1075463212	/nfs/dbraw/zinc/46/32/12/1075463212.db2.gz	XLPRQDFFPUPIKH-YOEHRIQHSA-N	1	1	410.540	1.585	20	0		HDADMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)[C@H]1C(C)C	ZINC000429412227	1075463405	/nfs/dbraw/zinc/46/34/05/1075463405.db2.gz	YZJOWFXAWTYTAK-UNMCSNQZSA-N	1	1	417.550	1.859	20	0		HDADMO
Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676264713	1075463682	/nfs/dbraw/zinc/46/36/82/1075463682.db2.gz	YPYSIXFPOSKWMP-GOEBONIOSA-N	1	1	412.556	1.912	20	0		HDADMO
Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1S(=O)(=O)NC(C)(C)C	ZINC000676264713	1075463687	/nfs/dbraw/zinc/46/36/87/1075463687.db2.gz	YPYSIXFPOSKWMP-GOEBONIOSA-N	1	1	412.556	1.912	20	0		HDADMO
C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676248776	1075465420	/nfs/dbraw/zinc/46/54/20/1075465420.db2.gz	HYEHOJJTXUPOKO-SWLSCSKDSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676248776	1075465423	/nfs/dbraw/zinc/46/54/23/1075465423.db2.gz	HYEHOJJTXUPOKO-SWLSCSKDSA-N	1	1	413.316	1.796	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676248707	1075465502	/nfs/dbraw/zinc/46/55/02/1075465502.db2.gz	WDHVBMHRMWQULP-QAPCUYQASA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676248707	1075465507	/nfs/dbraw/zinc/46/55/07/1075465507.db2.gz	WDHVBMHRMWQULP-QAPCUYQASA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731684063	1075467496	/nfs/dbraw/zinc/46/74/96/1075467496.db2.gz	PKVOFTXNHWCKSF-CALCHBBNSA-N	1	1	416.632	1.551	20	0		HDADMO
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000731683752	1075467862	/nfs/dbraw/zinc/46/78/62/1075467862.db2.gz	GQYFJFOGVSFDGA-HOTGVXAUSA-N	1	1	411.547	1.225	20	0		HDADMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000731683660	1075468240	/nfs/dbraw/zinc/46/82/40/1075468240.db2.gz	IJDWWFKDPAPEKQ-XLIONFOSSA-N	1	1	422.595	1.630	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676251507	1075468982	/nfs/dbraw/zinc/46/89/82/1075468982.db2.gz	NIHFVINEKCNBCN-UKRRQHHQSA-N	1	1	412.332	1.395	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676251507	1075468988	/nfs/dbraw/zinc/46/89/88/1075468988.db2.gz	NIHFVINEKCNBCN-UKRRQHHQSA-N	1	1	412.332	1.395	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)C1CC1	ZINC000804221222	1075469851	/nfs/dbraw/zinc/46/98/51/1075469851.db2.gz	KADKVAJMLQMVQU-INIZCTEOSA-N	1	1	410.559	1.692	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676252721	1075470574	/nfs/dbraw/zinc/47/05/74/1075470574.db2.gz	SDRXVNACAMPWCI-YJBOKZPZSA-N	1	1	408.930	1.455	20	0		HDADMO
C[C@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676252721	1075470582	/nfs/dbraw/zinc/47/05/82/1075470582.db2.gz	SDRXVNACAMPWCI-YJBOKZPZSA-N	1	1	408.930	1.455	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1C	ZINC000676255044	1075472461	/nfs/dbraw/zinc/47/24/61/1075472461.db2.gz	RMUOUEHWCOZPFA-WBVHZDCISA-N	1	1	412.556	1.866	20	0		HDADMO
CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1C	ZINC000676255044	1075472467	/nfs/dbraw/zinc/47/24/67/1075472467.db2.gz	RMUOUEHWCOZPFA-WBVHZDCISA-N	1	1	412.556	1.866	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676255034	1075472533	/nfs/dbraw/zinc/47/25/33/1075472533.db2.gz	RHQZAJNMIXIBHG-VQIMIIECSA-N	1	1	424.567	1.948	20	0		HDADMO
C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676255034	1075472536	/nfs/dbraw/zinc/47/25/36/1075472536.db2.gz	RHQZAJNMIXIBHG-VQIMIIECSA-N	1	1	424.567	1.948	20	0		HDADMO
CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676277918	1075476951	/nfs/dbraw/zinc/47/69/51/1075476951.db2.gz	DGIOZOHTWMJEAP-SUMWQHHRSA-N	1	1	413.902	1.529	20	0		HDADMO
CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676277918	1075476955	/nfs/dbraw/zinc/47/69/55/1075476955.db2.gz	DGIOZOHTWMJEAP-SUMWQHHRSA-N	1	1	413.902	1.529	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279141	1075478666	/nfs/dbraw/zinc/47/86/66/1075478666.db2.gz	AJHPEXXIQCMKOY-BEFAXECRSA-N	1	1	405.495	1.266	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279141	1075478667	/nfs/dbraw/zinc/47/86/67/1075478667.db2.gz	AJHPEXXIQCMKOY-BEFAXECRSA-N	1	1	405.495	1.266	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676278621	1075480236	/nfs/dbraw/zinc/48/02/36/1075480236.db2.gz	JBJUEMBZVXQPNZ-PBHICJAKSA-N	1	1	412.494	1.055	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676278621	1075480241	/nfs/dbraw/zinc/48/02/41/1075480241.db2.gz	JBJUEMBZVXQPNZ-PBHICJAKSA-N	1	1	412.494	1.055	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1C[N@H+](C)CCO1	ZINC000676279327	1075481378	/nfs/dbraw/zinc/48/13/78/1075481378.db2.gz	NFZCCFZCHSCMNV-PELKAZGASA-N	1	1	406.227	1.501	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279327	1075481384	/nfs/dbraw/zinc/48/13/84/1075481384.db2.gz	NFZCCFZCHSCMNV-PELKAZGASA-N	1	1	406.227	1.501	20	0		HDADMO
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000676279938	1075481948	/nfs/dbraw/zinc/48/19/48/1075481948.db2.gz	RDBNCWPKDJHLER-LRDDRELGSA-N	1	1	410.902	1.252	20	0		HDADMO
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000676279938	1075481959	/nfs/dbraw/zinc/48/19/59/1075481959.db2.gz	RDBNCWPKDJHLER-LRDDRELGSA-N	1	1	410.902	1.252	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279753	1075483325	/nfs/dbraw/zinc/48/33/25/1075483325.db2.gz	PUKJYVNGCYPZBW-MFKMUULPSA-N	1	1	409.393	1.448	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279753	1075483328	/nfs/dbraw/zinc/48/33/28/1075483328.db2.gz	PUKJYVNGCYPZBW-MFKMUULPSA-N	1	1	409.393	1.448	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000676279404	1075484616	/nfs/dbraw/zinc/48/46/16/1075484616.db2.gz	PCEAYCGFQCKESN-KSSFIOAISA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676279404	1075484617	/nfs/dbraw/zinc/48/46/17/1075484617.db2.gz	PCEAYCGFQCKESN-KSSFIOAISA-N	1	1	411.462	1.108	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676281155	1075485111	/nfs/dbraw/zinc/48/51/11/1075485111.db2.gz	XNGPAFUVVUZHJK-DYVFJYSZSA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676281155	1075485113	/nfs/dbraw/zinc/48/51/13/1075485113.db2.gz	XNGPAFUVVUZHJK-DYVFJYSZSA-N	1	1	422.913	1.350	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676280217	1075485126	/nfs/dbraw/zinc/48/51/26/1075485126.db2.gz	IITYTBSGRXWIGV-GUYCJALGSA-N	1	1	413.503	1.837	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676280217	1075485129	/nfs/dbraw/zinc/48/51/29/1075485129.db2.gz	IITYTBSGRXWIGV-GUYCJALGSA-N	1	1	413.503	1.837	20	0		HDADMO
COCc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676281984	1075487732	/nfs/dbraw/zinc/48/77/32/1075487732.db2.gz	OQJYQKVUKVWNCA-IAQYHMDHSA-N	1	1	414.300	1.369	20	0		HDADMO
COCc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676281984	1075487740	/nfs/dbraw/zinc/48/77/40/1075487740.db2.gz	OQJYQKVUKVWNCA-IAQYHMDHSA-N	1	1	414.300	1.369	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)[C@H]1C[N@H+](C)CCO1	ZINC000676281857	1075488215	/nfs/dbraw/zinc/48/82/15/1075488215.db2.gz	XWRGNXZDIDIHHH-SUMWQHHRSA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)[C@H]1C[N@@H+](C)CCO1	ZINC000676281857	1075488219	/nfs/dbraw/zinc/48/82/19/1075488219.db2.gz	XWRGNXZDIDIHHH-SUMWQHHRSA-N	1	1	404.492	1.496	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1C[N@H+](C)CCO1	ZINC000676283343	1075490369	/nfs/dbraw/zinc/49/03/69/1075490369.db2.gz	YTFMLKBXLZKBQC-KSSFIOAISA-N	1	1	403.479	1.892	20	0		HDADMO
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1C[N@@H+](C)CCO1	ZINC000676283343	1075490371	/nfs/dbraw/zinc/49/03/71/1075490371.db2.gz	YTFMLKBXLZKBQC-KSSFIOAISA-N	1	1	403.479	1.892	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@H](N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1=O	ZINC000466726079	1075493878	/nfs/dbraw/zinc/49/38/78/1075493878.db2.gz	DMBSZIQIWCCHAU-YOEHRIQHSA-N	1	1	407.536	1.825	20	0		HDADMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000676308505	1075493956	/nfs/dbraw/zinc/49/39/56/1075493956.db2.gz	XELUZVLXRRZXBG-VDZJLULYSA-N	1	1	404.511	1.835	20	0		HDADMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000676308505	1075493957	/nfs/dbraw/zinc/49/39/57/1075493957.db2.gz	XELUZVLXRRZXBG-VDZJLULYSA-N	1	1	404.511	1.835	20	0		HDADMO
C[C@@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676291292	1075495574	/nfs/dbraw/zinc/49/55/74/1075495574.db2.gz	OHSHRXQQOFGRIM-DNVCBOLYSA-N	1	1	400.479	1.728	20	0		HDADMO
C[C@@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676291292	1075495578	/nfs/dbraw/zinc/49/55/78/1075495578.db2.gz	OHSHRXQQOFGRIM-DNVCBOLYSA-N	1	1	400.479	1.728	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1	ZINC000676291293	1075495654	/nfs/dbraw/zinc/49/56/54/1075495654.db2.gz	OHSHRXQQOFGRIM-HNAYVOBHSA-N	1	1	400.479	1.728	20	0		HDADMO
C[C@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000676291293	1075495657	/nfs/dbraw/zinc/49/56/57/1075495657.db2.gz	OHSHRXQQOFGRIM-HNAYVOBHSA-N	1	1	400.479	1.728	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1	ZINC000676291499	1075496228	/nfs/dbraw/zinc/49/62/28/1075496228.db2.gz	WBHMBGHVHNUPHD-UHFFFAOYSA-N	1	1	401.555	1.239	20	0		HDADMO
CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000676292497	1075496982	/nfs/dbraw/zinc/49/69/82/1075496982.db2.gz	HOVVJRTXFRLLRI-HXUWFJFHSA-N	1	1	401.555	1.314	20	0		HDADMO
C[C@@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1	ZINC000676298467	1075500705	/nfs/dbraw/zinc/50/07/05/1075500705.db2.gz	XQGQHBLQTNMVJX-XLIONFOSSA-N	1	1	402.539	1.486	20	0		HDADMO
C[C@@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676298467	1075500709	/nfs/dbraw/zinc/50/07/09/1075500709.db2.gz	XQGQHBLQTNMVJX-XLIONFOSSA-N	1	1	402.539	1.486	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)[C@H]1C[N@H+](C)CCO1	ZINC000676304004	1075501920	/nfs/dbraw/zinc/50/19/20/1075501920.db2.gz	ITGJBZRODAHVHH-UKRRQHHQSA-N	1	1	406.508	1.681	20	0		HDADMO
C[C@@H](NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)[C@H]1C[N@@H+](C)CCO1	ZINC000676304004	1075501926	/nfs/dbraw/zinc/50/19/26/1075501926.db2.gz	ITGJBZRODAHVHH-UKRRQHHQSA-N	1	1	406.508	1.681	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1	ZINC000676303462	1075502689	/nfs/dbraw/zinc/50/26/89/1075502689.db2.gz	CJZLRRJUMJNAMV-YSVLISHTSA-N	1	1	403.445	1.875	20	0		HDADMO
C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1	ZINC000676303462	1075502692	/nfs/dbraw/zinc/50/26/92/1075502692.db2.gz	CJZLRRJUMJNAMV-YSVLISHTSA-N	1	1	403.445	1.875	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2=O)c1	ZINC000676306229	1075503209	/nfs/dbraw/zinc/50/32/09/1075503209.db2.gz	KTFPZLKVBSZOFP-JVPBZIDWSA-N	1	1	420.510	1.170	20	0		HDADMO
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2=O)c1	ZINC000676306229	1075503212	/nfs/dbraw/zinc/50/32/12/1075503212.db2.gz	KTFPZLKVBSZOFP-JVPBZIDWSA-N	1	1	420.510	1.170	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1	ZINC000676308122	1075504760	/nfs/dbraw/zinc/50/47/60/1075504760.db2.gz	VIVGQQPNKQYWTN-QRTARXTBSA-N	1	1	419.444	1.806	20	0		HDADMO
C[C@H](NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676308122	1075504762	/nfs/dbraw/zinc/50/47/62/1075504762.db2.gz	VIVGQQPNKQYWTN-QRTARXTBSA-N	1	1	419.444	1.806	20	0		HDADMO
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000676316816	1075506468	/nfs/dbraw/zinc/50/64/68/1075506468.db2.gz	BDSLNVRYYSGEFB-PKOBYXMFSA-N	1	1	402.539	1.441	20	0		HDADMO
CCc1[nH]nc(NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)c1C	ZINC000569486982	1075509848	/nfs/dbraw/zinc/50/98/48/1075509848.db2.gz	SDKDSWDONBOXDJ-UHFFFAOYSA-N	1	1	420.539	2.251	20	0		HDADMO
CCc1[nH]nc(NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)c1C	ZINC000569486982	1075509853	/nfs/dbraw/zinc/50/98/53/1075509853.db2.gz	SDKDSWDONBOXDJ-UHFFFAOYSA-N	1	1	420.539	2.251	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1	ZINC000676334696	1075510062	/nfs/dbraw/zinc/51/00/62/1075510062.db2.gz	DUSFRMMUCVJURU-ICSRJNTNSA-N	1	1	418.538	1.255	20	0		HDADMO
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1	ZINC000676334696	1075510069	/nfs/dbraw/zinc/51/00/69/1075510069.db2.gz	DUSFRMMUCVJURU-ICSRJNTNSA-N	1	1	418.538	1.255	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c2cccs2)CC1	ZINC000676335279	1075511041	/nfs/dbraw/zinc/51/10/41/1075511041.db2.gz	FHPUMQCQIKIZNQ-GDBMZVCRSA-N	1	1	416.613	1.117	20	0		HDADMO
CC[C@]1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1	ZINC000429425480	1075514644	/nfs/dbraw/zinc/51/46/44/1075514644.db2.gz	LAEGSOFDLGMVAG-IBGZPJMESA-N	1	1	410.540	1.392	20	0		HDADMO
CC[C@]1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1	ZINC000429425480	1075514650	/nfs/dbraw/zinc/51/46/50/1075514650.db2.gz	LAEGSOFDLGMVAG-IBGZPJMESA-N	1	1	410.540	1.392	20	0		HDADMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1	ZINC000731762017	1075516285	/nfs/dbraw/zinc/51/62/85/1075516285.db2.gz	WBWFAFLNJYIYQM-UHFFFAOYSA-N	1	1	411.506	1.571	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)NC(C)(C)C	ZINC000429426478	1075519145	/nfs/dbraw/zinc/51/91/45/1075519145.db2.gz	MIKOQZDAVPUQSH-OAHLLOKOSA-N	1	1	412.556	1.602	20	0		HDADMO
Cc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)NC(C)(C)C	ZINC000429426478	1075519149	/nfs/dbraw/zinc/51/91/49/1075519149.db2.gz	MIKOQZDAVPUQSH-OAHLLOKOSA-N	1	1	412.556	1.602	20	0		HDADMO
C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@@H]1C[N@H+](C)CCO1	ZINC000676346594	1075519932	/nfs/dbraw/zinc/51/99/32/1075519932.db2.gz	BHPZEDRYCJPRHU-WBMJQRKESA-N	1	1	404.492	1.479	20	0		HDADMO
C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@@H]1C[N@@H+](C)CCO1	ZINC000676346594	1075519935	/nfs/dbraw/zinc/51/99/35/1075519935.db2.gz	BHPZEDRYCJPRHU-WBMJQRKESA-N	1	1	404.492	1.479	20	0		HDADMO
Cc1nc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nn1C	ZINC000550775181	1075521312	/nfs/dbraw/zinc/52/13/12/1075521312.db2.gz	JQCUKUSOCRMKED-MRXNPFEDSA-N	1	1	404.902	1.886	20	0		HDADMO
Cc1nc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nn1C	ZINC000550775181	1075521318	/nfs/dbraw/zinc/52/13/18/1075521318.db2.gz	JQCUKUSOCRMKED-MRXNPFEDSA-N	1	1	404.902	1.886	20	0		HDADMO
CC(=O)NC1(c2noc(CCC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)n2)CCCCCC1	ZINC000676333127	1075522018	/nfs/dbraw/zinc/52/20/18/1075522018.db2.gz	KEPRDXACYDRCIS-WBVHZDCISA-N	1	1	421.542	1.523	20	0		HDADMO
CC(=O)NC1(c2noc(CCC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)n2)CCCCCC1	ZINC000676333127	1075522024	/nfs/dbraw/zinc/52/20/24/1075522024.db2.gz	KEPRDXACYDRCIS-WBVHZDCISA-N	1	1	421.542	1.523	20	0		HDADMO
Cc1ccc(N2CCC(C(=O)N3CCN(c4nccn5cnnc45)[C@@H](C)C3)CC2)[nH+]c1	ZINC000676369006	1075526705	/nfs/dbraw/zinc/52/67/05/1075526705.db2.gz	WEHBIPJKFNHBEW-KRWDZBQOSA-N	1	1	420.521	1.781	20	0		HDADMO
O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@@H]21)NC1CCOCC1	ZINC001084945262	1075526709	/nfs/dbraw/zinc/52/67/09/1075526709.db2.gz	PFOUQMBXBIDBAK-QIYLELGZSA-N	1	1	401.551	1.807	20	0		HDADMO
O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@@H]21)NC1CCOCC1	ZINC001084945262	1075526712	/nfs/dbraw/zinc/52/67/12/1075526712.db2.gz	PFOUQMBXBIDBAK-QIYLELGZSA-N	1	1	401.551	1.807	20	0		HDADMO
C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676358326	1075531919	/nfs/dbraw/zinc/53/19/19/1075531919.db2.gz	DITRZPRLIVGJGP-QFUCXCTJSA-N	1	1	402.539	1.427	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCOC2(CCSCC2)C1	ZINC000676387144	1075534203	/nfs/dbraw/zinc/53/42/03/1075534203.db2.gz	YZPZJXHACQGQCF-ROUUACIJSA-N	1	1	412.600	1.137	20	0		HDADMO
Cc1nccc(NCc2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2)n1	ZINC000544558608	1075536503	/nfs/dbraw/zinc/53/65/03/1075536503.db2.gz	SIDROGYSORIASE-FQEVSTJZSA-N	1	1	422.533	1.776	20	0		HDADMO
O=C(CC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000731843371	1075547414	/nfs/dbraw/zinc/54/74/14/1075547414.db2.gz	AZAVXZGXAQAZHX-LJQANCHMSA-N	1	1	407.536	1.503	20	0		HDADMO
O=C(CC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000731843371	1075547420	/nfs/dbraw/zinc/54/74/20/1075547420.db2.gz	AZAVXZGXAQAZHX-LJQANCHMSA-N	1	1	407.536	1.503	20	0		HDADMO
CC(C)(C)C[N@@H+](CCO)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000731843255	1075547673	/nfs/dbraw/zinc/54/76/73/1075547673.db2.gz	NIGBWKISFRMELY-NRFANRHFSA-N	1	1	404.511	1.301	20	0		HDADMO
C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(F)ccc3Br)CC2)C1	ZINC000676415081	1075547862	/nfs/dbraw/zinc/54/78/62/1075547862.db2.gz	QNUNAHAPOARRIL-CQSZACIVSA-N	1	1	420.348	1.989	20	0		HDADMO
C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cc(F)ccc3Br)CC2)C1	ZINC000676415080	1075547920	/nfs/dbraw/zinc/54/79/20/1075547920.db2.gz	QNUNAHAPOARRIL-AWEZNQCLSA-N	1	1	420.348	1.989	20	0		HDADMO
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1	ZINC000731872916	1075549164	/nfs/dbraw/zinc/54/91/64/1075549164.db2.gz	HQPSPYITHHJXMS-AWEZNQCLSA-N	1	1	416.975	1.346	20	0		HDADMO
Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(C)s1	ZINC000676422282	1075550134	/nfs/dbraw/zinc/55/01/34/1075550134.db2.gz	UDKPNCSSERHAJY-OAHLLOKOSA-N	1	1	400.570	1.427	20	0		HDADMO
O=C(Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1)NC1CCCC1	ZINC000676427382	1075551082	/nfs/dbraw/zinc/55/10/82/1075551082.db2.gz	SIBJRYCAAQNOND-RTBURBONSA-N	1	1	403.527	1.315	20	0		HDADMO
CN(C)S(=O)(=O)c1cc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)ccc1Cl	ZINC000731885558	1075554770	/nfs/dbraw/zinc/55/47/70/1075554770.db2.gz	UDKIEBZPXCCTIY-UHFFFAOYSA-N	1	1	416.975	1.300	20	0		HDADMO
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1	ZINC000731885309	1075554845	/nfs/dbraw/zinc/55/48/45/1075554845.db2.gz	MTOYUHDYGJBYTF-FQEVSTJZSA-N	1	1	415.538	1.280	20	0		HDADMO
CCOC(=O)Nc1ccc2c(C[NH+]3CCC(S(=O)(=O)NC)CC3)cc(=O)oc2c1	ZINC000731889050	1075557250	/nfs/dbraw/zinc/55/72/50/1075557250.db2.gz	FVFYCPQOZIRVOJ-UHFFFAOYSA-N	1	1	423.491	1.875	20	0		HDADMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCC3(CS(C)(=O)=O)CC3)CC2)C[C@H](C)O1	ZINC000429437767	1075557746	/nfs/dbraw/zinc/55/77/46/1075557746.db2.gz	ZPKKCXSYLYXNBB-CALCHBBNSA-N	1	1	415.600	1.732	20	0		HDADMO
CC[C@H](O)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676465572	1075561881	/nfs/dbraw/zinc/56/18/81/1075561881.db2.gz	LHRPDFCHPAAFAP-RTWAWAEBSA-N	1	1	404.555	1.376	20	0		HDADMO
CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000676478928	1075565951	/nfs/dbraw/zinc/56/59/51/1075565951.db2.gz	NVFVRNFCMRLAES-QGZVFWFLSA-N	1	1	419.551	1.987	20	0		HDADMO
COc1cccc([C@H](O)C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000731910643	1075567305	/nfs/dbraw/zinc/56/73/05/1075567305.db2.gz	LPXYBFBCHLYGAT-FQEVSTJZSA-N	1	1	420.506	1.423	20	0		HDADMO
CCn1nc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C1CC1	ZINC000438785233	1075568590	/nfs/dbraw/zinc/56/85/90/1075568590.db2.gz	VIOQOTPNVGJRAJ-UXLLHSPISA-N	1	1	403.527	1.819	20	0		HDADMO
CCn1nc(NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C1CC1	ZINC000438785233	1075568597	/nfs/dbraw/zinc/56/85/97/1075568597.db2.gz	VIOQOTPNVGJRAJ-UXLLHSPISA-N	1	1	403.527	1.819	20	0		HDADMO
CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc(N3CCNC3=O)c(C)c2)CC1	ZINC000731919385	1075570955	/nfs/dbraw/zinc/57/09/55/1075570955.db2.gz	PYQOXDSCNSRAHP-UHFFFAOYSA-N	1	1	403.479	1.957	20	0		HDADMO
Cc1ccc(N2CCC(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)[nH+]c1	ZINC000676505963	1075571863	/nfs/dbraw/zinc/57/18/63/1075571863.db2.gz	OLBHHGYQAMODFH-UHFFFAOYSA-N	1	1	403.508	1.096	20	0		HDADMO
O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000676506735	1075572245	/nfs/dbraw/zinc/57/22/45/1075572245.db2.gz	ACBMBORIPROFGT-RDJZCZTQSA-N	1	1	423.535	1.389	20	0		HDADMO
CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000676507706	1075572565	/nfs/dbraw/zinc/57/25/65/1075572565.db2.gz	ZMDCNDSYCRDJEN-UYAOXDASSA-N	1	1	405.564	1.867	20	0		HDADMO
COCCN(C(=O)C[N@H+]1CC[C@H](CC(C)C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000466733188	1075578739	/nfs/dbraw/zinc/57/87/39/1075578739.db2.gz	QJMALJNAESJYRQ-MRXNPFEDSA-N	1	1	423.558	1.535	20	0		HDADMO
CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@]3(C)CCCS3(=O)=O)CC2)cc1	ZINC001273246762	1075579287	/nfs/dbraw/zinc/57/92/87/1075579287.db2.gz	GRYXMCDQQZFJGX-FQEVSTJZSA-N	1	1	407.536	1.693	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000731972166	1075580293	/nfs/dbraw/zinc/58/02/93/1075580293.db2.gz	NHWYJWHSGQCHFP-VMPITWQZSA-N	1	1	421.501	1.158	20	0		HDADMO
CCOC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000731973457	1075580624	/nfs/dbraw/zinc/58/06/24/1075580624.db2.gz	VODHXZDICIUKAP-GOSISDBHSA-N	1	1	418.494	1.907	20	0		HDADMO
CC(C)Oc1cccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1	ZINC000731974678	1075580954	/nfs/dbraw/zinc/58/09/54/1075580954.db2.gz	WLXCZXLKWQUTIT-HXUWFJFHSA-N	1	1	403.523	1.803	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000731978270	1075581938	/nfs/dbraw/zinc/58/19/38/1075581938.db2.gz	GDLAZMOZOHJSCY-UCFODXPJSA-N	1	1	407.474	1.543	20	0		HDADMO
CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000731978270	1075581940	/nfs/dbraw/zinc/58/19/40/1075581940.db2.gz	GDLAZMOZOHJSCY-UCFODXPJSA-N	1	1	407.474	1.543	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1	ZINC000731984663	1075583699	/nfs/dbraw/zinc/58/36/99/1075583699.db2.gz	MUZMBUSXJSUHIN-OTIVFRFGSA-N	1	1	421.501	1.790	20	0		HDADMO
C[C@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[N@H+](C)Cc1ccccc1	ZINC000732002660	1075584314	/nfs/dbraw/zinc/58/43/14/1075584314.db2.gz	ZIOOKGUWFVCYDG-MRXNPFEDSA-N	1	1	414.531	1.704	20	0		HDADMO
C[C@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+](C)Cc1ccccc1	ZINC000732002660	1075584315	/nfs/dbraw/zinc/58/43/15/1075584315.db2.gz	ZIOOKGUWFVCYDG-MRXNPFEDSA-N	1	1	414.531	1.704	20	0		HDADMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1	ZINC000676568098	1075598359	/nfs/dbraw/zinc/59/83/59/1075598359.db2.gz	BDRNTQHOMVSDRD-CQSZACIVSA-N	1	1	415.460	1.947	20	0		HDADMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1	ZINC000676568098	1075598362	/nfs/dbraw/zinc/59/83/62/1075598362.db2.gz	BDRNTQHOMVSDRD-CQSZACIVSA-N	1	1	415.460	1.947	20	0		HDADMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1	ZINC000478716631	1075602026	/nfs/dbraw/zinc/60/20/26/1075602026.db2.gz	BADQCDHUIPBNPH-MRXNPFEDSA-N	1	1	405.547	1.875	20	0		HDADMO
CNC(=O)c1cncc(/C=C\C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1	ZINC000732073805	1075605045	/nfs/dbraw/zinc/60/50/45/1075605045.db2.gz	MOUXHTDVGNZOGT-HJWRWDBZSA-N	1	1	421.545	1.731	20	0		HDADMO
CN1C(=S)N=NC1[C@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1	ZINC000732075713	1075606681	/nfs/dbraw/zinc/60/66/81/1075606681.db2.gz	GGZPHMYBHRWPTI-ROUUACIJSA-N	1	1	414.579	1.799	20	0		HDADMO
C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C[C@@H]1C	ZINC000543680504	1075609797	/nfs/dbraw/zinc/60/97/97/1075609797.db2.gz	QIXPXDKKBHZQOA-VYMRPNJYSA-N	1	1	412.600	1.217	20	0		HDADMO
C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1	ZINC000676594452	1075612491	/nfs/dbraw/zinc/61/24/91/1075612491.db2.gz	UCTTXBMMIVLASX-ZWKOTPCHSA-N	1	1	417.554	1.522	20	0		HDADMO
CN(CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000804182823	1075614373	/nfs/dbraw/zinc/61/43/73/1075614373.db2.gz	IKVOOCVLCUQFDC-GOSISDBHSA-N	1	1	418.538	1.750	20	0		HDADMO
COC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000481751625	1075616666	/nfs/dbraw/zinc/61/66/66/1075616666.db2.gz	RGTKMURXZMNJKJ-DYVFJYSZSA-N	1	1	405.886	1.838	20	0		HDADMO
COC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1	ZINC000481751625	1075616669	/nfs/dbraw/zinc/61/66/69/1075616669.db2.gz	RGTKMURXZMNJKJ-DYVFJYSZSA-N	1	1	405.886	1.838	20	0		HDADMO
O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1ccc2c(cnn2C(F)F)c1	ZINC000676618041	1075617823	/nfs/dbraw/zinc/61/78/23/1075617823.db2.gz	NMSSYCJBLLWLRR-HNNXBMFYSA-N	1	1	409.437	1.723	20	0		HDADMO
COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1OC	ZINC000572620115	1075618973	/nfs/dbraw/zinc/61/89/73/1075618973.db2.gz	YDPVYFADJBJOCT-SJORKVTESA-N	1	1	402.495	1.833	20	0		HDADMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1=O	ZINC000429456778	1075625455	/nfs/dbraw/zinc/62/54/55/1075625455.db2.gz	XUPNNHMJEKQMDC-XZEJUNMKSA-N	1	1	400.523	1.178	20	0		HDADMO
C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000732091050	1075625633	/nfs/dbraw/zinc/62/56/33/1075625633.db2.gz	ZBYKECKWFMFVFN-YJBOKZPZSA-N	1	1	400.483	1.667	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000732091050	1075625634	/nfs/dbraw/zinc/62/56/34/1075625634.db2.gz	ZBYKECKWFMFVFN-YJBOKZPZSA-N	1	1	400.483	1.667	20	0		HDADMO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCN1CCN(c2ccccn2)CC1	ZINC000676624605	1075629527	/nfs/dbraw/zinc/62/95/27/1075629527.db2.gz	FNARQMCEARFELR-AABGKKOBSA-N	1	1	401.555	1.304	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(I)cc1	ZINC000543681091	1075632225	/nfs/dbraw/zinc/63/22/25/1075632225.db2.gz	XPZFSDCTZIPDRB-ZDUSSCGKSA-N	1	1	424.304	1.680	20	0		HDADMO
O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	ZINC000676640321	1075635860	/nfs/dbraw/zinc/63/58/60/1075635860.db2.gz	CFSCYKWDTNWIKP-MRXNPFEDSA-N	1	1	401.429	1.650	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)n1	ZINC000463372976	1075642762	/nfs/dbraw/zinc/64/27/62/1075642762.db2.gz	ANIYQBSNTMHARY-QFIPXVFZSA-N	1	1	406.490	1.764	20	0		HDADMO
COc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)n1	ZINC000463372976	1075642768	/nfs/dbraw/zinc/64/27/68/1075642768.db2.gz	ANIYQBSNTMHARY-QFIPXVFZSA-N	1	1	406.490	1.764	20	0		HDADMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O	ZINC000732138480	1075646777	/nfs/dbraw/zinc/64/67/77/1075646777.db2.gz	DCRRIJQEURCXGH-HNNXBMFYSA-N	1	1	409.508	1.082	20	0		HDADMO
CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1NC(=O)NC1=O	ZINC000676680822	1075646925	/nfs/dbraw/zinc/64/69/25/1075646925.db2.gz	HXCXYRPDSMWWFP-BMGDILEWSA-N	1	1	401.511	1.437	20	0		HDADMO
CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1NC(=O)NC1=O	ZINC000676680822	1075646931	/nfs/dbraw/zinc/64/69/31/1075646931.db2.gz	HXCXYRPDSMWWFP-BMGDILEWSA-N	1	1	401.511	1.437	20	0		HDADMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000732139903	1075647172	/nfs/dbraw/zinc/64/71/72/1075647172.db2.gz	VKOCUBUFEBSAPX-QGZVFWFLSA-N	1	1	418.563	1.838	20	0		HDADMO
COc1cc[nH+]c(N2CCN([C@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1	ZINC000532966266	1075647730	/nfs/dbraw/zinc/64/77/30/1075647730.db2.gz	SXGPCFJZSMLHNK-OAHLLOKOSA-N	1	1	406.494	1.906	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000732147749	1075649098	/nfs/dbraw/zinc/64/90/98/1075649098.db2.gz	SYPMLCUBBKZKCF-KRWDZBQOSA-N	1	1	422.529	1.887	20	0		HDADMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1	ZINC000732150152	1075650670	/nfs/dbraw/zinc/65/06/70/1075650670.db2.gz	YVKXZCGAXXALLG-HKUYNNGSSA-N	1	1	415.538	1.325	20	0		HDADMO
C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1	ZINC000676702066	1075652190	/nfs/dbraw/zinc/65/21/90/1075652190.db2.gz	PKWCJUQNEWZAIU-JTHBVZDNSA-N	1	1	413.610	1.604	20	0		HDADMO
Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000676717697	1075654298	/nfs/dbraw/zinc/65/42/98/1075654298.db2.gz	QSYDHKOWBWJGJG-MRXNPFEDSA-N	1	1	401.536	1.775	20	0		HDADMO
Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000676717697	1075654304	/nfs/dbraw/zinc/65/43/04/1075654304.db2.gz	QSYDHKOWBWJGJG-MRXNPFEDSA-N	1	1	401.536	1.775	20	0		HDADMO
C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732190149	1075655833	/nfs/dbraw/zinc/65/58/33/1075655833.db2.gz	IJBBXALISWSYRU-WMZOPIPTSA-N	1	1	412.490	1.830	20	0		HDADMO
C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000732190149	1075655839	/nfs/dbraw/zinc/65/58/39/1075655839.db2.gz	IJBBXALISWSYRU-WMZOPIPTSA-N	1	1	412.490	1.830	20	0		HDADMO
CN(Cn1nc(CCC(N)=O)n(C[C@H]2CCCO2)c1=S)[C@H]1CC[N@H+](C2CC2)C1	ZINC000732190077	1075655950	/nfs/dbraw/zinc/65/59/50/1075655950.db2.gz	WJDXGDNJNSHEKA-JKSUJKDBSA-N	1	1	408.572	1.137	20	0		HDADMO
C[C@H]1CCCC[N@H+]1CC(N)=NOCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000732195067	1075656616	/nfs/dbraw/zinc/65/66/16/1075656616.db2.gz	HRWJKVJPBVEPRX-AWEZNQCLSA-N	1	1	411.528	1.248	20	0		HDADMO
C[C@H]1COCCC[N@@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000676714161	1075657905	/nfs/dbraw/zinc/65/79/05/1075657905.db2.gz	UKULYZWROQCSHN-KRWDZBQOSA-N	1	1	409.552	1.588	20	0		HDADMO
C[C@H]1COCCC[N@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000676714161	1075657911	/nfs/dbraw/zinc/65/79/11/1075657911.db2.gz	UKULYZWROQCSHN-KRWDZBQOSA-N	1	1	409.552	1.588	20	0		HDADMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(c2nc(N)ns2)CC1	ZINC000426266000	1075657976	/nfs/dbraw/zinc/65/79/76/1075657976.db2.gz	XHTCLHPWRWLBJT-UHFFFAOYSA-N	1	1	403.556	1.992	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000732206856	1075663653	/nfs/dbraw/zinc/66/36/53/1075663653.db2.gz	MIUVDPCQPSRDGL-CYBMUJFWSA-N	1	1	422.482	1.951	20	0		HDADMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000732206856	1075663655	/nfs/dbraw/zinc/66/36/55/1075663655.db2.gz	MIUVDPCQPSRDGL-CYBMUJFWSA-N	1	1	422.482	1.951	20	0		HDADMO
CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1	ZINC000676733293	1075664615	/nfs/dbraw/zinc/66/46/15/1075664615.db2.gz	IPIFZVWFTFPGSE-HNNXBMFYSA-N	1	1	413.515	1.354	20	0		HDADMO
C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000732209184	1075666256	/nfs/dbraw/zinc/66/62/56/1075666256.db2.gz	FTGOCODBUMXJCC-MDZRGWNJSA-N	1	1	411.506	1.674	20	0		HDADMO
C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000732209184	1075666260	/nfs/dbraw/zinc/66/62/60/1075666260.db2.gz	FTGOCODBUMXJCC-MDZRGWNJSA-N	1	1	411.506	1.674	20	0		HDADMO
O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccc(N2CCOCC2)cc1	ZINC000732210539	1075667155	/nfs/dbraw/zinc/66/71/55/1075667155.db2.gz	JEOVFIMFZBBVMP-FQEVSTJZSA-N	1	1	400.523	1.939	20	0		HDADMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccc(N2CCOCC2)cc1	ZINC000732210539	1075667157	/nfs/dbraw/zinc/66/71/57/1075667157.db2.gz	JEOVFIMFZBBVMP-FQEVSTJZSA-N	1	1	400.523	1.939	20	0		HDADMO
FC(F)Oc1ccc(-n2nnnc2CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1	ZINC000732211710	1075668101	/nfs/dbraw/zinc/66/81/01/1075668101.db2.gz	MOBVCBVCNVKAPN-MRXNPFEDSA-N	1	1	408.453	1.950	20	0		HDADMO
CCOC(=O)N1CCN(S(=O)(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1	ZINC000732221847	1075673882	/nfs/dbraw/zinc/67/38/82/1075673882.db2.gz	MXFGMNCVLXIABF-MRXNPFEDSA-N	1	1	404.577	1.496	20	0		HDADMO
COc1cccc([C@@H](O)CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000732239258	1075676849	/nfs/dbraw/zinc/67/68/49/1075676849.db2.gz	WFCFSJVBVJGIFW-IBGZPJMESA-N	1	1	414.510	1.030	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1	ZINC000732232272	1075685110	/nfs/dbraw/zinc/68/51/10/1075685110.db2.gz	HSVRSFJTVRFFRX-HLLBOEOZSA-N	1	1	411.572	1.985	20	0		HDADMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cnc(C4CCCC4)nc3N)CC2)CC1	ZINC000483672920	1075685170	/nfs/dbraw/zinc/68/51/70/1075685170.db2.gz	QZPNSHNCASWXIZ-UHFFFAOYSA-N	1	1	400.527	1.343	20	0		HDADMO
COc1ccccc1[C@@H](CNC(=O)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C	ZINC000732274455	1075686485	/nfs/dbraw/zinc/68/64/85/1075686485.db2.gz	ODFRDUIADPLNEM-QGZVFWFLSA-N	1	1	406.527	1.625	20	0		HDADMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4sccc4[nH]2)C3)O1	ZINC001006147973	1075687417	/nfs/dbraw/zinc/68/74/17/1075687417.db2.gz	PMVVDLPTDZEWHP-ZEUHDDMQSA-N	1	1	402.520	1.810	20	0		HDADMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4sccc4[nH]2)C3)O1	ZINC001006147973	1075687420	/nfs/dbraw/zinc/68/74/20/1075687420.db2.gz	PMVVDLPTDZEWHP-ZEUHDDMQSA-N	1	1	402.520	1.810	20	0		HDADMO
CCOC(=O)c1cc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1C	ZINC000509434018	1075687759	/nfs/dbraw/zinc/68/77/59/1075687759.db2.gz	WNXOCYFZTYRJCU-SFHVURJKSA-N	1	1	423.579	1.962	20	0		HDADMO
Cc1ccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1	ZINC000029158697	1075691693	/nfs/dbraw/zinc/69/16/93/1075691693.db2.gz	KTIBFNHNNWIDPM-UHFFFAOYSA-N	1	1	400.523	1.726	20	0		HDADMO
CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)n1	ZINC001084993264	1075699619	/nfs/dbraw/zinc/69/96/19/1075699619.db2.gz	VOIYJDAUBKSGSF-NRKBZLAMSA-N	1	1	414.554	1.317	20	0		HDADMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1	ZINC000435313176	1075700770	/nfs/dbraw/zinc/70/07/70/1075700770.db2.gz	HCNBPOBAWWKRRL-OAHLLOKOSA-N	1	1	404.511	2.157	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000435799320	1075701125	/nfs/dbraw/zinc/70/11/25/1075701125.db2.gz	LIQHVQUVDYTAPR-CQSZACIVSA-N	1	1	417.476	2.389	20	0		HDADMO
COc1cc2[nH+]c(NCCCN3C(=O)NC4(CCCC4)C3=O)nc(N)c2cc1OC	ZINC000589998037	1075702291	/nfs/dbraw/zinc/70/22/91/1075702291.db2.gz	ORMMYCGSOCNWMO-UHFFFAOYSA-N	1	1	414.466	1.318	20	0		HDADMO
COc1cc2[nH+]c(NCCCN3c4ccccc4OCC3=O)nc(N)c2cc1OC	ZINC000462881255	1075702390	/nfs/dbraw/zinc/70/23/90/1075702390.db2.gz	MOMGWCIIYFIVTL-UHFFFAOYSA-N	1	1	409.446	1.879	20	0		HDADMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@H](C)O1	ZINC000435002466	1075702943	/nfs/dbraw/zinc/70/29/43/1075702943.db2.gz	DKCGWDGBOGRUHZ-BBWFWOEESA-N	1	1	418.538	2.545	20	0		HDADMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@H](C)O1	ZINC000435002466	1075702947	/nfs/dbraw/zinc/70/29/47/1075702947.db2.gz	DKCGWDGBOGRUHZ-BBWFWOEESA-N	1	1	418.538	2.545	20	0		HDADMO
COc1cc2[nH+]c(NCc3cccc(CS(C)(=O)=O)c3)nc(N)c2cc1OC	ZINC000518348706	1075703076	/nfs/dbraw/zinc/70/30/76/1075703076.db2.gz	OBRAXMJWSYOHOD-UHFFFAOYSA-N	1	1	402.476	1.808	20	0		HDADMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@@H]3CCN(c4cnn(C)c4)C3=O)cc2)C[C@H](C)O1	ZINC000732324888	1075703832	/nfs/dbraw/zinc/70/38/32/1075703832.db2.gz	FPGCFTXWOATKRO-GQIGUUNPSA-N	1	1	412.490	1.992	20	0		HDADMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@@H]3CCN(c4cnn(C)c4)C3=O)cc2)C[C@H](C)O1	ZINC000732324888	1075703835	/nfs/dbraw/zinc/70/38/35/1075703835.db2.gz	FPGCFTXWOATKRO-GQIGUUNPSA-N	1	1	412.490	1.992	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCc2ncsc2C1	ZINC000509439149	1075714153	/nfs/dbraw/zinc/71/41/53/1075714153.db2.gz	OCTSCCVDQBBCAY-MRXNPFEDSA-N	1	1	413.547	1.355	20	0		HDADMO
C[C@@H]1C[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[N@H+]1Cc1ccccc1	ZINC000429257059	1075714719	/nfs/dbraw/zinc/71/47/19/1075714719.db2.gz	NBCQDZYWVIXRLA-GDBMZVCRSA-N	1	1	422.489	2.161	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H](C)O[C@@H](C2CC2)C1	ZINC000509438808	1075715435	/nfs/dbraw/zinc/71/54/35/1075715435.db2.gz	COCQTFMBZKTVTP-LVCYWYKZSA-N	1	1	414.550	1.339	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCc2ccccc2C1	ZINC000509438439	1075717352	/nfs/dbraw/zinc/71/73/52/1075717352.db2.gz	BZHWAPQRDAKERW-LJQANCHMSA-N	1	1	406.530	1.898	20	0		HDADMO
C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1	ZINC000532731201	1075717750	/nfs/dbraw/zinc/71/77/50/1075717750.db2.gz	JFISRGIHRYZGIM-OAHLLOKOSA-N	1	1	420.525	1.359	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC1(O)CCCC1	ZINC000509440225	1075718649	/nfs/dbraw/zinc/71/86/49/1075718649.db2.gz	RYVAKJOWOBYZLL-GOSISDBHSA-N	1	1	402.539	1.077	20	0		HDADMO
Cc1onc(N)c1S(=O)(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000572080427	1075720018	/nfs/dbraw/zinc/72/00/18/1075720018.db2.gz	IVTOYHQSEVGICB-MRXNPFEDSA-N	1	1	420.539	1.183	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CCCCO)C1CC1	ZINC000509442261	1075726798	/nfs/dbraw/zinc/72/67/98/1075726798.db2.gz	NSQRGLGNTVWEFZ-GOSISDBHSA-N	1	1	402.539	1.077	20	0		HDADMO
CC(C)[C@H](NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nncn1C	ZINC000509255876	1075727554	/nfs/dbraw/zinc/72/75/54/1075727554.db2.gz	GRHUWQWWTKLPHU-GHTZIAJQSA-N	1	1	400.527	1.791	20	0		HDADMO
CC(C)[C@@H](NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nncn1C	ZINC000509255878	1075727570	/nfs/dbraw/zinc/72/75/70/1075727570.db2.gz	GRHUWQWWTKLPHU-NQIIRXRSSA-N	1	1	400.527	1.791	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)nc2ccccc12	ZINC000485546174	1075728059	/nfs/dbraw/zinc/72/80/59/1075728059.db2.gz	GBZGVNDCXWKBNJ-OALUTQOASA-N	1	1	409.538	1.666	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)CC2)nc2ccccc12	ZINC000462028062	1075728378	/nfs/dbraw/zinc/72/83/78/1075728378.db2.gz	CPPSDRNLRZCVHC-NRFANRHFSA-N	1	1	416.529	2.131	20	0		HDADMO
Nc1nc(CN2CCN(C(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)CC2)nc2ccccc12	ZINC000462028062	1075728383	/nfs/dbraw/zinc/72/83/83/1075728383.db2.gz	CPPSDRNLRZCVHC-NRFANRHFSA-N	1	1	416.529	2.131	20	0		HDADMO
Cc1onc(N)c1S(=O)(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000583290614	1075729306	/nfs/dbraw/zinc/72/93/06/1075729306.db2.gz	DTROHAYXQXTBND-UHFFFAOYSA-N	1	1	424.523	1.533	20	0		HDADMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)Cc1ccc(O)cc1	ZINC000509443335	1075737410	/nfs/dbraw/zinc/73/74/10/1075737410.db2.gz	ZIQGHEOAHKMIMS-GOSISDBHSA-N	1	1	410.518	1.678	20	0		HDADMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)C[C@H]1C	ZINC000509443089	1075738499	/nfs/dbraw/zinc/73/84/99/1075738499.db2.gz	XDRUJBLWINONRZ-AQNXPRMDSA-N	1	1	415.582	1.254	20	0		HDADMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)C[C@H]1C	ZINC000509443089	1075738503	/nfs/dbraw/zinc/73/85/03/1075738503.db2.gz	XDRUJBLWINONRZ-AQNXPRMDSA-N	1	1	415.582	1.254	20	0		HDADMO
COC(=O)c1ccc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)s1	ZINC000543687882	1075740698	/nfs/dbraw/zinc/74/06/98/1075740698.db2.gz	VJSBOMKEKNYACC-UHFFFAOYSA-N	1	1	415.581	1.573	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1nccn1C)c1ccccc1OC	ZINC000732442023	1075744966	/nfs/dbraw/zinc/74/49/66/1075744966.db2.gz	RCZZZUSLELGKQW-QFBILLFUSA-N	1	1	401.511	1.928	20	0		HDADMO
Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000473850763	1075750647	/nfs/dbraw/zinc/75/06/47/1075750647.db2.gz	OZOKQOBBRXPOCL-HDICACEKSA-N	1	1	405.506	1.456	20	0		HDADMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1	ZINC000732463238	1075751223	/nfs/dbraw/zinc/75/12/23/1075751223.db2.gz	LGFNFNFXLOSJIC-HKUYNNGSSA-N	1	1	404.511	1.919	20	0		HDADMO
C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000429267542	1075756003	/nfs/dbraw/zinc/75/60/03/1075756003.db2.gz	MXLSAEPMMGJQRI-GOSISDBHSA-N	1	1	412.513	1.865	20	0		HDADMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000732474979	1075756747	/nfs/dbraw/zinc/75/67/47/1075756747.db2.gz	NYFWCGVWSVCPBG-GDBMZVCRSA-N	1	1	408.852	1.635	20	0		HDADMO
C[N@@H+](CCNC(=O)C1CCN(C(=O)Nc2nncs2)CC1)Cc1ccccc1	ZINC000437696853	1075761165	/nfs/dbraw/zinc/76/11/65/1075761165.db2.gz	LSGYFMUPSJLRHN-UHFFFAOYSA-N	1	1	402.524	2.030	20	0		HDADMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000446729954	1075765402	/nfs/dbraw/zinc/76/54/02/1075765402.db2.gz	XSXAUMCYSPFFQK-INIZCTEOSA-N	1	1	423.439	2.364	20	0		HDADMO
Nc1nsc(N2CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CC2)n1	ZINC000441523532	1075770086	/nfs/dbraw/zinc/77/00/86/1075770086.db2.gz	KMAMNEMDFJTNRZ-HNNXBMFYSA-N	1	1	404.565	1.559	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1	ZINC000804222976	1075774832	/nfs/dbraw/zinc/77/48/32/1075774832.db2.gz	GANUJYVNFSHAAW-SJORKVTESA-N	1	1	408.543	1.587	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1CC1	ZINC000804222624	1075775131	/nfs/dbraw/zinc/77/51/31/1075775131.db2.gz	QVHRJJAQDVOXPY-NRFANRHFSA-N	1	1	410.559	1.740	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCCC2=O)cn1	ZINC000732487978	1075775828	/nfs/dbraw/zinc/77/58/28/1075775828.db2.gz	OBLTYVRTWZCZBL-KRWDZBQOSA-N	1	1	410.478	1.518	20	0		HDADMO
CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C1CC1	ZINC000804223501	1075776048	/nfs/dbraw/zinc/77/60/48/1075776048.db2.gz	NHHDVMRFPMBLEX-UHFFFAOYSA-N	1	1	404.486	1.277	20	0		HDADMO
C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)Nc3ccn(-c4ccncc4)n3)cn2)CC1	ZINC000441912962	1075777837	/nfs/dbraw/zinc/77/78/37/1075777837.db2.gz	SLVORRYIHLCSEQ-UHFFFAOYSA-N	1	1	421.461	1.713	20	0		HDADMO
CC(C)[N@@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)CC(N)=O	ZINC000016419463	1075786980	/nfs/dbraw/zinc/78/69/80/1075786980.db2.gz	WDTQVJKWWHYXAY-UHFFFAOYSA-N	1	1	404.920	1.115	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)Nc3nc4cc(Cl)ccn4n3)cc2)CC1	ZINC000570368795	1075792153	/nfs/dbraw/zinc/79/21/53/1075792153.db2.gz	ANXUNJFOCDGQSC-UHFFFAOYSA-N	1	1	413.913	2.452	20	0		HDADMO
CN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccn(CC(F)(F)F)n3)cc2)CC1	ZINC000448304144	1075792209	/nfs/dbraw/zinc/79/22/09/1075792209.db2.gz	VYOWCZLRUIEBFZ-UHFFFAOYSA-N	1	1	410.444	2.515	20	0		HDADMO
CCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1	ZINC000804237856	1075793770	/nfs/dbraw/zinc/79/37/70/1075793770.db2.gz	XMPKMEOACQNIOQ-BZSNNMDCSA-N	1	1	408.543	1.446	20	0		HDADMO
C[N@H+]1CCC[C@H](CNC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1cccs1	ZINC000487391171	1075795864	/nfs/dbraw/zinc/79/58/64/1075795864.db2.gz	WWJZPENXWQSIEW-MJGOQNOKSA-N	1	1	410.584	1.467	20	0		HDADMO
C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1	ZINC000645615638	1075800370	/nfs/dbraw/zinc/80/03/70/1075800370.db2.gz	RAXNKOXUOGIYTC-WFASDCNBSA-N	1	1	418.295	1.736	20	0		HDADMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)/C=C\C3CCOCC3)c2)CC1	ZINC000732639503	1075810336	/nfs/dbraw/zinc/81/03/36/1075810336.db2.gz	ZOPAXRODPROBDJ-SREVYHEPSA-N	1	1	407.536	1.934	20	0		HDADMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)/C=C\C3CCOCC3)c2)CC1	ZINC000732639503	1075810340	/nfs/dbraw/zinc/81/03/40/1075810340.db2.gz	ZOPAXRODPROBDJ-SREVYHEPSA-N	1	1	407.536	1.934	20	0		HDADMO
CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)/C=C\C2CCOCC2)cc1	ZINC000732638851	1075810397	/nfs/dbraw/zinc/81/03/97/1075810397.db2.gz	CRIHDCCGTAHSDX-BAQGIRSFSA-N	1	1	400.523	1.818	20	0		HDADMO
CCOC1CC(C[N@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1	ZINC000509280165	1075814270	/nfs/dbraw/zinc/81/42/70/1075814270.db2.gz	VKACITGEIYJFRP-UHFFFAOYSA-N	1	1	410.536	1.969	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@@H+]1Cc1ccccc1	ZINC000466709567	1075814773	/nfs/dbraw/zinc/81/47/73/1075814773.db2.gz	DWAXOMJIOMMXAM-WMZOPIPTSA-N	1	1	404.474	1.985	20	0		HDADMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@H+]1Cc1ccccc1	ZINC000466709567	1075814775	/nfs/dbraw/zinc/81/47/75/1075814775.db2.gz	DWAXOMJIOMMXAM-WMZOPIPTSA-N	1	1	404.474	1.985	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1	ZINC000611037597	1075818801	/nfs/dbraw/zinc/81/88/01/1075818801.db2.gz	XYIVFSWZSSPKDU-KRWDZBQOSA-N	1	1	405.495	1.619	20	0		HDADMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1	ZINC000611038406	1075819062	/nfs/dbraw/zinc/81/90/62/1075819062.db2.gz	RLZUCVMEKUILTR-FUHWJXTLSA-N	1	1	403.479	1.920	20	0		HDADMO
Cc1ccc(C)c(C[N@@H+](C)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1	ZINC000429288850	1075829105	/nfs/dbraw/zinc/82/91/05/1075829105.db2.gz	PBXYCXGSQAACPT-UHFFFAOYSA-N	1	1	407.522	1.761	20	0		HDADMO
Cc1ccc(C)c(C[N@H+](C)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1	ZINC000429288850	1075829110	/nfs/dbraw/zinc/82/91/10/1075829110.db2.gz	PBXYCXGSQAACPT-UHFFFAOYSA-N	1	1	407.522	1.761	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CSCCC(=O)OC)c2)C[C@@H]1C	ZINC000611101046	1075833218	/nfs/dbraw/zinc/83/32/18/1075833218.db2.gz	XHFJGPBFUGBHBA-HNNXBMFYSA-N	1	1	407.536	1.974	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CSCCC(=O)OC)c2)C[C@@H]1C	ZINC000611101046	1075833227	/nfs/dbraw/zinc/83/32/27/1075833227.db2.gz	XHFJGPBFUGBHBA-HNNXBMFYSA-N	1	1	407.536	1.974	20	0		HDADMO
CCOC(=O)Cn1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1=O	ZINC000611097629	1075841633	/nfs/dbraw/zinc/84/16/33/1075841633.db2.gz	QIHDPVBBKHMHSE-MAUKXSAKSA-N	1	1	402.495	1.892	20	0		HDADMO
CC(C)N(C)S(=O)(=O)c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1	ZINC000542766016	1075844564	/nfs/dbraw/zinc/84/45/64/1075844564.db2.gz	AGMBKTAFRWAABJ-UHFFFAOYSA-N	1	1	405.524	1.954	20	0		HDADMO
Cc1c(C(=O)NCC[S@](=O)C(C)(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000732768411	1075849574	/nfs/dbraw/zinc/84/95/74/1075849574.db2.gz	OEBODSKXLIFPGW-NDEPHWFRSA-N	1	1	403.552	1.841	20	0		HDADMO
CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1	ZINC000732772325	1075851800	/nfs/dbraw/zinc/85/18/00/1075851800.db2.gz	XDOOBWORDPTWLV-ADYPVZHUSA-N	1	1	400.523	1.638	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1	ZINC000732777600	1075854604	/nfs/dbraw/zinc/85/46/04/1075854604.db2.gz	QBWYDXGWYNGWMX-UHFFFAOYSA-N	1	1	401.529	1.389	20	0		HDADMO
O=C(NCC[NH+]1CCSCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000732778042	1075855387	/nfs/dbraw/zinc/85/53/87/1075855387.db2.gz	QNXSNGCGHJFCBY-UHFFFAOYSA-N	1	1	422.576	1.013	20	0		HDADMO
CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000732754681	1075857137	/nfs/dbraw/zinc/85/71/37/1075857137.db2.gz	GQNMCUGULIXGFJ-FHWLQOOXSA-N	1	1	405.564	1.446	20	0		HDADMO
CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000732754682	1075857155	/nfs/dbraw/zinc/85/71/55/1075857155.db2.gz	GQNMCUGULIXGFJ-OTWHNJEPSA-N	1	1	405.564	1.446	20	0		HDADMO
CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000732754684	1075857222	/nfs/dbraw/zinc/85/72/22/1075857222.db2.gz	GQNMCUGULIXGFJ-QYZOEREBSA-N	1	1	405.564	1.446	20	0		HDADMO
Cn1nc(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)cc1OC(F)F	ZINC000466657098	1075858982	/nfs/dbraw/zinc/85/89/82/1075858982.db2.gz	RQSOMVGTHMHLEJ-UHFFFAOYSA-N	1	1	409.437	1.900	20	0		HDADMO
COC(=O)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)Oc1ccc(F)cc1	ZINC000611160860	1075861700	/nfs/dbraw/zinc/86/17/00/1075861700.db2.gz	WTXYAFNGUOEYGD-MOPGFXCFSA-N	1	1	401.438	1.922	20	0		HDADMO
COC(=O)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)Oc1ccc(F)cc1	ZINC000611160860	1075861702	/nfs/dbraw/zinc/86/17/02/1075861702.db2.gz	WTXYAFNGUOEYGD-MOPGFXCFSA-N	1	1	401.438	1.922	20	0		HDADMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(F)c2I)C[C@H]1C	ZINC000611150543	1075862854	/nfs/dbraw/zinc/86/28/54/1075862854.db2.gz	KKWACEZTDCJEIB-SNVBAGLBSA-N	1	1	419.238	1.921	20	0		HDADMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(F)c2I)C[C@H]1C	ZINC000611150543	1075862856	/nfs/dbraw/zinc/86/28/56/1075862856.db2.gz	KKWACEZTDCJEIB-SNVBAGLBSA-N	1	1	419.238	1.921	20	0		HDADMO
O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(Cc2cccs2)CC1	ZINC000732807517	1075863033	/nfs/dbraw/zinc/86/30/33/1075863033.db2.gz	PWGVWKGZRDPGTG-SFHVURJKSA-N	1	1	404.580	1.869	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)N1CCN(Cc2cccs2)CC1	ZINC000732807517	1075863036	/nfs/dbraw/zinc/86/30/36/1075863036.db2.gz	PWGVWKGZRDPGTG-SFHVURJKSA-N	1	1	404.580	1.869	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)c(=O)[nH]c21	ZINC000732779227	1075863749	/nfs/dbraw/zinc/86/37/49/1075863749.db2.gz	BDWCKHYFWNGKMO-SHCNBLLESA-N	1	1	412.538	1.603	20	0		HDADMO
CC(C)n1ncc2cc(C=CC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)c(=O)[nH]c21	ZINC000732779227	1075863754	/nfs/dbraw/zinc/86/37/54/1075863754.db2.gz	BDWCKHYFWNGKMO-SHCNBLLESA-N	1	1	412.538	1.603	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1	ZINC000732780090	1075864368	/nfs/dbraw/zinc/86/43/68/1075864368.db2.gz	IBWWUTBMAZKWDP-QGZVFWFLSA-N	1	1	414.579	1.827	20	0		HDADMO
Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000732780090	1075864373	/nfs/dbraw/zinc/86/43/73/1075864373.db2.gz	IBWWUTBMAZKWDP-QGZVFWFLSA-N	1	1	414.579	1.827	20	0		HDADMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1	ZINC000732781537	1075864687	/nfs/dbraw/zinc/86/46/87/1075864687.db2.gz	RUEYKOLNDMDVID-CYBMUJFWSA-N	1	1	414.959	1.146	20	0		HDADMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1	ZINC000732781537	1075864689	/nfs/dbraw/zinc/86/46/89/1075864689.db2.gz	RUEYKOLNDMDVID-CYBMUJFWSA-N	1	1	414.959	1.146	20	0		HDADMO
CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1CC[NH+](C(C)(C)CO)CC1	ZINC000611165914	1075865267	/nfs/dbraw/zinc/86/52/67/1075865267.db2.gz	IMSHDVZJYZXEPT-SFHVURJKSA-N	1	1	407.580	1.762	20	0		HDADMO
COC1(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000732780977	1075865350	/nfs/dbraw/zinc/86/53/50/1075865350.db2.gz	NYOBZGXBJINSPK-KRWDZBQOSA-N	1	1	424.586	1.687	20	0		HDADMO
COC1(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000732780977	1075865353	/nfs/dbraw/zinc/86/53/53/1075865353.db2.gz	NYOBZGXBJINSPK-KRWDZBQOSA-N	1	1	424.586	1.687	20	0		HDADMO
CC(C)[NH+]1CCN(C2CCN(CC(=O)NC(=O)N[C@H]3CCCC[C@@H]3C)CC2)CC1	ZINC000611181123	1075867955	/nfs/dbraw/zinc/86/79/55/1075867955.db2.gz	LCCXKBUFZHFJOJ-ICSRJNTNSA-N	1	1	407.603	1.881	20	0		HDADMO
CCOC(=O)COc1ccc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1	ZINC000611211209	1075874846	/nfs/dbraw/zinc/87/48/46/1075874846.db2.gz	UDRWKOYTMMDVGQ-KNQAVFIVSA-N	1	1	419.566	1.965	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732813666	1075874935	/nfs/dbraw/zinc/87/49/35/1075874935.db2.gz	ZKRMFASLWGLNHK-PKOBYXMFSA-N	1	1	415.534	1.982	20	0		HDADMO
C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732813666	1075874938	/nfs/dbraw/zinc/87/49/38/1075874938.db2.gz	ZKRMFASLWGLNHK-PKOBYXMFSA-N	1	1	415.534	1.982	20	0		HDADMO
CCOC(=O)c1cnn2c1nccc2C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000611212201	1075875051	/nfs/dbraw/zinc/87/50/51/1075875051.db2.gz	PWZAPQWYWWBPDB-INIZCTEOSA-N	1	1	414.510	1.147	20	0		HDADMO
CCOC(=O)c1cnn2c1nccc2C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000611212201	1075875052	/nfs/dbraw/zinc/87/50/52/1075875052.db2.gz	PWZAPQWYWWBPDB-INIZCTEOSA-N	1	1	414.510	1.147	20	0		HDADMO
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732807755	1075882802	/nfs/dbraw/zinc/88/28/02/1075882802.db2.gz	VKRBASDKCXSFCG-KURKYZTESA-N	1	1	401.507	1.808	20	0		HDADMO
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732807755	1075882804	/nfs/dbraw/zinc/88/28/04/1075882804.db2.gz	VKRBASDKCXSFCG-KURKYZTESA-N	1	1	401.507	1.808	20	0		HDADMO
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732807756	1075883046	/nfs/dbraw/zinc/88/30/46/1075883046.db2.gz	VKRBASDKCXSFCG-KZNAEPCWSA-N	1	1	401.507	1.808	20	0		HDADMO
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732807756	1075883053	/nfs/dbraw/zinc/88/30/53/1075883053.db2.gz	VKRBASDKCXSFCG-KZNAEPCWSA-N	1	1	401.507	1.808	20	0		HDADMO
COC(=O)c1ccsc1N1CC[C@@H](N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O	ZINC000611244229	1075885326	/nfs/dbraw/zinc/88/53/26/1075885326.db2.gz	LKDHHZDISZDKQR-HZPDHXFCSA-N	1	1	420.535	1.054	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)CC1=O	ZINC000611307944	1075896889	/nfs/dbraw/zinc/89/68/89/1075896889.db2.gz	BPWXWOBEQLWYAH-KZNAEPCWSA-N	1	1	407.555	1.757	20	0		HDADMO
Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000732896003	1075898145	/nfs/dbraw/zinc/89/81/45/1075898145.db2.gz	CKACDQXBONVODN-HXUWFJFHSA-N	1	1	424.501	1.171	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1	ZINC000611321398	1075899725	/nfs/dbraw/zinc/89/97/25/1075899725.db2.gz	AASBPQMADVDZST-MRXNPFEDSA-N	1	1	419.588	1.074	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C1	ZINC000611320838	1075900143	/nfs/dbraw/zinc/90/01/43/1075900143.db2.gz	WAQKQJSJIOOWMR-INIZCTEOSA-N	1	1	419.522	1.970	20	0		HDADMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C1	ZINC000611320838	1075900144	/nfs/dbraw/zinc/90/01/44/1075900144.db2.gz	WAQKQJSJIOOWMR-INIZCTEOSA-N	1	1	419.522	1.970	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1	ZINC000611321840	1075900493	/nfs/dbraw/zinc/90/04/93/1075900493.db2.gz	SEJTYRZJJWXTKG-CQSZACIVSA-N	1	1	411.524	1.492	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1	ZINC000611321840	1075900496	/nfs/dbraw/zinc/90/04/96/1075900496.db2.gz	SEJTYRZJJWXTKG-CQSZACIVSA-N	1	1	411.524	1.492	20	0		HDADMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1	ZINC000611323445	1075900821	/nfs/dbraw/zinc/90/08/21/1075900821.db2.gz	OIIWOIMAGASAMF-MRXNPFEDSA-N	1	1	405.495	1.078	20	0		HDADMO
O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000732872005	1075902087	/nfs/dbraw/zinc/90/20/87/1075902087.db2.gz	RLLSXWAOCRKWJF-QZTJIDSGSA-N	1	1	400.479	1.341	20	0		HDADMO
C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000611348765	1075912924	/nfs/dbraw/zinc/91/29/24/1075912924.db2.gz	HTOBQCJLVXWINQ-AHHUIIKDSA-N	1	1	404.555	1.576	20	0		HDADMO
CCOC(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Cl	ZINC000611365460	1075919884	/nfs/dbraw/zinc/91/98/84/1075919884.db2.gz	SYJZGMSPUZYLRJ-IAGOWNOFSA-N	1	1	423.897	1.513	20	0		HDADMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)[C@H](C)C1	ZINC000611396264	1075924561	/nfs/dbraw/zinc/92/45/61/1075924561.db2.gz	POWNYIWJGUWBMH-MJGOQNOKSA-N	1	1	413.522	1.983	20	0		HDADMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)[C@H](C)C1	ZINC000611396264	1075924564	/nfs/dbraw/zinc/92/45/64/1075924564.db2.gz	POWNYIWJGUWBMH-MJGOQNOKSA-N	1	1	413.522	1.983	20	0		HDADMO
COC(=O)[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1	ZINC000611438586	1075934245	/nfs/dbraw/zinc/93/42/45/1075934245.db2.gz	PZUVXTWCKFOTOR-NRFANRHFSA-N	1	1	409.486	1.771	20	0		HDADMO
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CCO)CCc2ccccc2)C1=O	ZINC000732983804	1075937145	/nfs/dbraw/zinc/93/71/45/1075937145.db2.gz	IENKJEUWNLKDKD-HSZRJFAPSA-N	1	1	424.501	1.412	20	0		HDADMO
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CCO)CCc2ccccc2)C1=O	ZINC000732983804	1075937146	/nfs/dbraw/zinc/93/71/46/1075937146.db2.gz	IENKJEUWNLKDKD-HSZRJFAPSA-N	1	1	424.501	1.412	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1	ZINC000732989125	1075941065	/nfs/dbraw/zinc/94/10/65/1075941065.db2.gz	OIDNTYLKECKTIR-SJORKVTESA-N	1	1	410.559	1.550	20	0		HDADMO
CSCC[C@@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)N1C(=O)c2ccccc2C1=O	ZINC000611515688	1075953553	/nfs/dbraw/zinc/95/35/53/1075953553.db2.gz	KMLHJTDIQHDIPH-KRWDZBQOSA-N	1	1	419.547	1.319	20	0		HDADMO
Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1N1C(=O)CCC1=O	ZINC000733047346	1075953927	/nfs/dbraw/zinc/95/39/27/1075953927.db2.gz	BOGAYAZWAKTQNJ-INIZCTEOSA-N	1	1	414.506	1.968	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[C@H](C(=O)OC)C1	ZINC000611547414	1075960455	/nfs/dbraw/zinc/96/04/55/1075960455.db2.gz	UFQGJEWPMHLXKJ-SJORKVTESA-N	1	1	403.479	1.560	20	0		HDADMO
COC(=O)[C@@H]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[C@@H](C(=O)OC)C1	ZINC000611547412	1075960522	/nfs/dbraw/zinc/96/05/22/1075960522.db2.gz	UFQGJEWPMHLXKJ-IAGOWNOFSA-N	1	1	403.479	1.560	20	0		HDADMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000733038191	1075961780	/nfs/dbraw/zinc/96/17/80/1075961780.db2.gz	CAYGXWUMRICIGL-QLFBSQMISA-N	1	1	424.558	1.916	20	0		HDADMO
CC(C)OC(=O)N1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1	ZINC000733040436	1075962458	/nfs/dbraw/zinc/96/24/58/1075962458.db2.gz	NMQKOMHJNCUQIQ-KRWDZBQOSA-N	1	1	411.547	1.238	20	0		HDADMO
CC(C)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@]1(O)CC[N@@H+](C)C1	ZINC001691673328	1075965545	/nfs/dbraw/zinc/96/55/45/1075965545.db2.gz	OJIHBWSECBTHNB-LJQANCHMSA-N	1	1	417.539	1.815	20	0		HDADMO
C[C@@H]1C[C@@H](CCNC(=O)N(CCO)CCN2CCOCC2)C[N@H+]1Cc1ccccc1	ZINC000490991410	1075970655	/nfs/dbraw/zinc/97/06/55/1075970655.db2.gz	AWMFGAOIPYNLMV-IFMALSPDSA-N	1	1	418.582	1.623	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(CCO)CCN2CCOCC2)cc1	ZINC000491422822	1075975058	/nfs/dbraw/zinc/97/50/58/1075975058.db2.gz	JSRUGJSSMGFQGG-QGZVFWFLSA-N	1	1	401.511	1.578	20	0		HDADMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CCO)CCN1CCOCC1	ZINC000491424130	1075975084	/nfs/dbraw/zinc/97/50/84/1075975084.db2.gz	PHSPPDFPARYYFW-PZJWPPBQSA-N	1	1	404.555	1.233	20	0		HDADMO
CCN(C(=O)CCn1cc[nH+]c1C(C)C)C1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001079762486	1075977384	/nfs/dbraw/zinc/97/73/84/1075977384.db2.gz	CSZILARIAVMDBH-GJNTUIEKSA-N	1	1	400.523	1.879	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1=O	ZINC000733134471	1075981161	/nfs/dbraw/zinc/98/11/61/1075981161.db2.gz	QKXRUQBGUJVRMU-SJLPKXTDSA-N	1	1	422.570	1.835	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080164438	1075984462	/nfs/dbraw/zinc/98/44/62/1075984462.db2.gz	AZXWVUHENRJONO-FEZKWAHGSA-N	1	1	409.530	1.431	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001080164438	1075984466	/nfs/dbraw/zinc/98/44/66/1075984466.db2.gz	AZXWVUHENRJONO-FEZKWAHGSA-N	1	1	409.530	1.431	20	0		HDADMO
O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000733157934	1075990029	/nfs/dbraw/zinc/99/00/29/1075990029.db2.gz	BBCBNGFNLTXKJH-INIZCTEOSA-N	1	1	416.547	1.835	20	0		HDADMO
CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000510280630	1075990196	/nfs/dbraw/zinc/99/01/96/1075990196.db2.gz	BQXKFMGICLVKQK-HZPDHXFCSA-N	1	1	418.504	1.662	20	0		HDADMO
C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC000494235340	1075999054	/nfs/dbraw/zinc/99/90/54/1075999054.db2.gz	VUKOXFKUYUKRSW-SILNSSARSA-N	1	1	414.550	1.025	20	0		HDADMO
C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC000494235340	1075999059	/nfs/dbraw/zinc/99/90/59/1075999059.db2.gz	VUKOXFKUYUKRSW-SILNSSARSA-N	1	1	414.550	1.025	20	0		HDADMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1	ZINC000733169613	1075999677	/nfs/dbraw/zinc/99/96/77/1075999677.db2.gz	DHHDMZXPASNLKV-SFHVURJKSA-N	1	1	401.555	1.324	20	0		HDADMO
CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[N@H+]1CCC[C@H]1C	ZINC001081101855	1076001776	/nfs/dbraw/zinc/00/17/76/1076001776.db2.gz	RQCJENDGRBZETI-UCTAPSKPSA-N	1	1	403.567	1.981	20	0		HDADMO
COC[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1	ZINC000733196598	1076002351	/nfs/dbraw/zinc/00/23/51/1076002351.db2.gz	DMEKHRPEWVVWHA-UTKZUKDTSA-N	1	1	402.495	1.319	20	0		HDADMO
COC[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1	ZINC000733196598	1076002357	/nfs/dbraw/zinc/00/23/57/1076002357.db2.gz	DMEKHRPEWVVWHA-UTKZUKDTSA-N	1	1	402.495	1.319	20	0		HDADMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12	ZINC000681173402	1076006529	/nfs/dbraw/zinc/00/65/29/1076006529.db2.gz	ZMSZEAWPGFMYRQ-CQSZACIVSA-N	1	1	403.914	1.969	20	0		HDADMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12	ZINC000681173401	1076006599	/nfs/dbraw/zinc/00/65/99/1076006599.db2.gz	ZMSZEAWPGFMYRQ-AWEZNQCLSA-N	1	1	403.914	1.969	20	0		HDADMO
CNS(=O)(=O)c1ccccc1N1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1	ZINC000733189628	1076013021	/nfs/dbraw/zinc/01/30/21/1076013021.db2.gz	FVEAFQDYAIELOO-UHFFFAOYSA-N	1	1	402.524	1.312	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)no1	ZINC000514015420	1076015091	/nfs/dbraw/zinc/01/50/91/1076015091.db2.gz	KJHBIAHWGPCUKX-XKQJLSEDSA-N	1	1	404.515	1.247	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)C2)no1	ZINC000514018781	1076015733	/nfs/dbraw/zinc/01/57/33/1076015733.db2.gz	XBKYVERKZOOUGC-UAGQMJEPSA-N	1	1	406.531	1.493	20	0		HDADMO
CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)C2)no1	ZINC000514020162	1076015993	/nfs/dbraw/zinc/01/59/93/1076015993.db2.gz	LUNNFBGYWRUNAV-ROUUACIJSA-N	1	1	420.558	1.742	20	0		HDADMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000108514707	1076017197	/nfs/dbraw/zinc/01/71/97/1076017197.db2.gz	YFNBVNJEXIITQD-HOCLYGCPSA-N	1	1	417.959	1.480	20	0		HDADMO
COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)cc1	ZINC001081958518	1076019284	/nfs/dbraw/zinc/01/92/84/1076019284.db2.gz	RMCIQSMFLNKFEM-NWRWZVFGSA-N	1	1	404.507	1.705	20	0		HDADMO
COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)cc1	ZINC001081958518	1076019287	/nfs/dbraw/zinc/01/92/87/1076019287.db2.gz	RMCIQSMFLNKFEM-NWRWZVFGSA-N	1	1	404.507	1.705	20	0		HDADMO
COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)c1	ZINC001081959421	1076019611	/nfs/dbraw/zinc/01/96/11/1076019611.db2.gz	HJYYGJVFHUMLLI-QQEKQYBASA-N	1	1	400.519	1.867	20	0		HDADMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)COc3cccc(C=O)c3)c2)C1	ZINC000733262188	1076019811	/nfs/dbraw/zinc/01/98/11/1076019811.db2.gz	HTHKPTDHLSWVCO-FQEVSTJZSA-N	1	1	409.486	1.892	20	0		HDADMO
CO[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001081975335	1076022115	/nfs/dbraw/zinc/02/21/15/1076022115.db2.gz	ZXICYGVLQURSTM-VNXMGFANSA-N	1	1	402.535	1.795	20	0		HDADMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	ZINC000733274325	1076027383	/nfs/dbraw/zinc/02/73/83/1076027383.db2.gz	XVUBOYHOEYZXKI-JTSKRJEESA-N	1	1	416.522	1.843	20	0		HDADMO
COC[C@@]1(C)NC(=O)N(C[N@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000733298351	1076032448	/nfs/dbraw/zinc/03/24/48/1076032448.db2.gz	UXSOBBXRHGXXNR-HXUWFJFHSA-N	1	1	410.515	1.765	20	0		HDADMO
COC[C@@]1(C)NC(=O)N(C[N@@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000733298351	1076032454	/nfs/dbraw/zinc/03/24/54/1076032454.db2.gz	UXSOBBXRHGXXNR-HXUWFJFHSA-N	1	1	410.515	1.765	20	0		HDADMO
C[C@@H](CS(C)(=O)=O)[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000733311857	1076036768	/nfs/dbraw/zinc/03/67/68/1076036768.db2.gz	WYUQATQATSPKKV-INIZCTEOSA-N	1	1	409.552	1.749	20	0		HDADMO
C[C@@H](CS(C)(=O)=O)[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000733311857	1076036774	/nfs/dbraw/zinc/03/67/74/1076036774.db2.gz	WYUQATQATSPKKV-INIZCTEOSA-N	1	1	409.552	1.749	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1	ZINC000727132407	1076050333	/nfs/dbraw/zinc/05/03/33/1076050333.db2.gz	ZHCYLMBREDQEAR-NJAFHUGGSA-N	1	1	422.570	1.881	20	0		HDADMO
COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1F	ZINC000054994093	1076065652	/nfs/dbraw/zinc/06/56/52/1076065652.db2.gz	GDDVQRVSCXOKLJ-KRWDZBQOSA-N	1	1	407.486	1.364	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O	ZINC000727175595	1076069671	/nfs/dbraw/zinc/06/96/71/1076069671.db2.gz	WDJZIGKVNNELLP-HOCLYGCPSA-N	1	1	423.535	1.470	20	0		HDADMO
CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1	ZINC000727174835	1076069683	/nfs/dbraw/zinc/06/96/83/1076069683.db2.gz	GBGXXYBTRQIZPW-LMOYIVCVSA-N	1	1	400.523	1.636	20	0		HDADMO
COC(=O)C1=C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000727158133	1076071503	/nfs/dbraw/zinc/07/15/03/1076071503.db2.gz	BOHAHIHIDOPRRW-FOIQADDNSA-N	1	1	414.506	1.787	20	0		HDADMO
COC(=O)C1=C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000727158133	1076071508	/nfs/dbraw/zinc/07/15/08/1076071508.db2.gz	BOHAHIHIDOPRRW-FOIQADDNSA-N	1	1	414.506	1.787	20	0		HDADMO
C[C@@H](OC(=O)c1cccn(C)c1=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000733504884	1076085962	/nfs/dbraw/zinc/08/59/62/1076085962.db2.gz	VEOQTXCOQSOJNM-MRXNPFEDSA-N	1	1	413.474	1.079	20	0		HDADMO
C[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1	ZINC000022057218	1076089670	/nfs/dbraw/zinc/08/96/70/1076089670.db2.gz	KFJLWTUVMPMBLO-INIZCTEOSA-N	1	1	423.535	1.023	20	0		HDADMO
C[C@@H]1C[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCCO1	ZINC000727436436	1076120564	/nfs/dbraw/zinc/12/05/64/1076120564.db2.gz	JCGTVWLPJILUOY-KWZJRMENSA-N	1	1	404.492	1.345	20	0		HDADMO
C[C@@H]1C[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCCO1	ZINC000727436436	1076120570	/nfs/dbraw/zinc/12/05/70/1076120570.db2.gz	JCGTVWLPJILUOY-KWZJRMENSA-N	1	1	404.492	1.345	20	0		HDADMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H](OC)C(F)(F)F	ZINC000733627083	1076131648	/nfs/dbraw/zinc/13/16/48/1076131648.db2.gz	DSBWEJDMNXGZBR-HNNXBMFYSA-N	1	1	418.416	1.782	20	0		HDADMO
C[C@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@H](O)CN4CCCC4)CC3)cc2NC1=O	ZINC000727463286	1076135955	/nfs/dbraw/zinc/13/59/55/1076135955.db2.gz	HTDOPURFEBSKBT-CRAIPNDOSA-N	1	1	401.507	1.757	20	0		HDADMO
CN(C)CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)CC1	ZINC000733643306	1076136959	/nfs/dbraw/zinc/13/69/59/1076136959.db2.gz	KZLPIXRMAQJQEN-UHFFFAOYSA-N	1	1	417.554	1.929	20	0		HDADMO
COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1	ZINC000733666240	1076146883	/nfs/dbraw/zinc/14/68/83/1076146883.db2.gz	IPMYZRSJPWAXPL-OAHLLOKOSA-N	1	1	408.930	1.915	20	0		HDADMO
CN1CCN(c2ccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)cc2Cl)CC1	ZINC000733668277	1076148205	/nfs/dbraw/zinc/14/82/05/1076148205.db2.gz	HBXFMSRWBBHRDF-UHFFFAOYSA-N	1	1	419.957	1.727	20	0		HDADMO
CCOC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCc3ccc(OC)cc3)C2=O)C1	ZINC000733787681	1076206630	/nfs/dbraw/zinc/20/66/30/1076206630.db2.gz	NCXFSYMHMIMWBR-QGZVFWFLSA-N	1	1	403.479	1.735	20	0		HDADMO
CCOC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCc3ccc(OC)cc3)C2=O)C1	ZINC000733787681	1076206635	/nfs/dbraw/zinc/20/66/35/1076206635.db2.gz	NCXFSYMHMIMWBR-QGZVFWFLSA-N	1	1	403.479	1.735	20	0		HDADMO
COCC[N@@H+](C)CCNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1	ZINC000727749223	1076223681	/nfs/dbraw/zinc/22/36/81/1076223681.db2.gz	SEPKHDKRTPBDGE-UHFFFAOYSA-N	1	1	422.345	1.007	20	0		HDADMO
C[N@H+]1CCCN(CCCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	ZINC000733885766	1076240243	/nfs/dbraw/zinc/24/02/43/1076240243.db2.gz	QWFODDJDPSDFHR-UHFFFAOYSA-N	1	1	407.458	1.738	20	0		HDADMO
CN1CCC[N@H+](CCCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	ZINC000733885766	1076240246	/nfs/dbraw/zinc/24/02/46/1076240246.db2.gz	QWFODDJDPSDFHR-UHFFFAOYSA-N	1	1	407.458	1.738	20	0		HDADMO
CN1CCC[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	ZINC000733885766	1076240252	/nfs/dbraw/zinc/24/02/52/1076240252.db2.gz	QWFODDJDPSDFHR-UHFFFAOYSA-N	1	1	407.458	1.738	20	0		HDADMO
C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)c2cccs2)CC1	ZINC000533008198	1076240997	/nfs/dbraw/zinc/24/09/97/1076240997.db2.gz	HQDQZJAWUWGZKV-MRXNPFEDSA-N	1	1	418.567	1.743	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000533828383	1076245134	/nfs/dbraw/zinc/24/51/34/1076245134.db2.gz	FDUKLYSKHNFIAJ-IBGZPJMESA-N	1	1	402.520	1.759	20	0		HDADMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000533828383	1076245137	/nfs/dbraw/zinc/24/51/37/1076245137.db2.gz	FDUKLYSKHNFIAJ-IBGZPJMESA-N	1	1	402.520	1.759	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1	ZINC000533831146	1076245505	/nfs/dbraw/zinc/24/55/05/1076245505.db2.gz	MDFGHQRPVYCEBC-NRFANRHFSA-N	1	1	413.543	1.834	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1	ZINC000533831146	1076245509	/nfs/dbraw/zinc/24/55/09/1076245509.db2.gz	MDFGHQRPVYCEBC-NRFANRHFSA-N	1	1	413.543	1.834	20	0		HDADMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000533849149	1076245844	/nfs/dbraw/zinc/24/58/44/1076245844.db2.gz	YLLJUYKUKJGGLA-LJQANCHMSA-N	1	1	415.519	1.284	20	0		HDADMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000533849149	1076245851	/nfs/dbraw/zinc/24/58/51/1076245851.db2.gz	YLLJUYKUKJGGLA-LJQANCHMSA-N	1	1	415.519	1.284	20	0		HDADMO
COCC(COC)[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC001299318340	1076247337	/nfs/dbraw/zinc/24/73/37/1076247337.db2.gz	HHDUTEAVUBXGLA-DLBZAZTESA-N	1	1	413.559	1.876	20	0		HDADMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)C1	ZINC000535388800	1076253114	/nfs/dbraw/zinc/25/31/14/1076253114.db2.gz	RHIRMEICIQWIGX-QGZVFWFLSA-N	1	1	417.579	1.908	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2C(=O)NC(C)C)C1	ZINC000144138623	1076253379	/nfs/dbraw/zinc/25/33/79/1076253379.db2.gz	SYCBOCPDDOMAJF-SJORKVTESA-N	1	1	418.538	1.626	20	0		HDADMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2C(=O)NC(C)C)C1	ZINC000144138623	1076253386	/nfs/dbraw/zinc/25/33/86/1076253386.db2.gz	SYCBOCPDDOMAJF-SJORKVTESA-N	1	1	418.538	1.626	20	0		HDADMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1	ZINC000536035901	1076254904	/nfs/dbraw/zinc/25/49/04/1076254904.db2.gz	NXRIZWASAOCLDU-LIRRHRJNSA-N	1	1	403.504	1.665	20	0		HDADMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1	ZINC000536035901	1076254907	/nfs/dbraw/zinc/25/49/07/1076254907.db2.gz	NXRIZWASAOCLDU-LIRRHRJNSA-N	1	1	403.504	1.665	20	0		HDADMO
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1	ZINC000536209409	1076256354	/nfs/dbraw/zinc/25/63/54/1076256354.db2.gz	WJQVFTPFNDQFNR-MRXNPFEDSA-N	1	1	411.568	1.682	20	0		HDADMO
O=C(OCC(F)(F)F)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000727802415	1076258992	/nfs/dbraw/zinc/25/89/92/1076258992.db2.gz	SRDAXJZWPNYABC-LSDHHAIUSA-N	1	1	407.433	1.863	20	0		HDADMO
CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1	ZINC000727805983	1076259224	/nfs/dbraw/zinc/25/92/24/1076259224.db2.gz	HIUSJOXIAUHWSC-WUQYLLKWSA-N	1	1	412.534	1.732	20	0		HDADMO
COCC[N@H+]1CCC[C@@H]1CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000727838891	1076266371	/nfs/dbraw/zinc/26/63/71/1076266371.db2.gz	SWEBZOZZKMMRIK-CABCVRRESA-N	1	1	404.964	1.405	20	0		HDADMO
COCCN1CCC[C@@H]1C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000727838891	1076266373	/nfs/dbraw/zinc/26/63/73/1076266373.db2.gz	SWEBZOZZKMMRIK-CABCVRRESA-N	1	1	404.964	1.405	20	0		HDADMO
CC(C)C1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](C(=O)N3CCOCC3)C1)C2=O	ZINC000727817885	1076267104	/nfs/dbraw/zinc/26/71/04/1076267104.db2.gz	SINQSDMAGSSVNF-WUZYXKQASA-N	1	1	420.554	1.652	20	0		HDADMO
CC(C)C1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](C(=O)N3CCOCC3)C1)C2=O	ZINC000727817885	1076267109	/nfs/dbraw/zinc/26/71/09/1076267109.db2.gz	SINQSDMAGSSVNF-WUZYXKQASA-N	1	1	420.554	1.652	20	0		HDADMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCC3(CC2)OCCO3)c1	ZINC000727846112	1076270209	/nfs/dbraw/zinc/27/02/09/1076270209.db2.gz	LCCQTAPTPYZOCO-UHFFFAOYSA-N	1	1	407.511	1.692	20	0		HDADMO
Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)CCN3CCCC3=O)CC2)cc1	ZINC000727911073	1076279466	/nfs/dbraw/zinc/27/94/66/1076279466.db2.gz	KUOMZEWFJQUUPO-UHFFFAOYSA-N	1	1	401.507	1.585	20	0		HDADMO
C[NH+]1CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1	ZINC000733975500	1076280462	/nfs/dbraw/zinc/28/04/62/1076280462.db2.gz	ZDDAWLKSHWJZCZ-GOSISDBHSA-N	1	1	404.511	1.533	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)NCCCN2CCC[N@@H+](C)CC2)ccc1F	ZINC000733976530	1076280920	/nfs/dbraw/zinc/28/09/20/1076280920.db2.gz	DJBCVTVJPVBISL-UHFFFAOYSA-N	1	1	414.547	1.270	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)ccc1F	ZINC000733976530	1076280927	/nfs/dbraw/zinc/28/09/27/1076280927.db2.gz	DJBCVTVJPVBISL-UHFFFAOYSA-N	1	1	414.547	1.270	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCCN(C)CC2)ccc1F	ZINC000733976530	1076280933	/nfs/dbraw/zinc/28/09/33/1076280933.db2.gz	DJBCVTVJPVBISL-UHFFFAOYSA-N	1	1	414.547	1.270	20	0		HDADMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)CCN2CCCC2=O)CC1	ZINC000727911364	1076281997	/nfs/dbraw/zinc/28/19/97/1076281997.db2.gz	OLUGCTHAAYPMQT-UHFFFAOYSA-N	1	1	401.507	1.585	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COCc2ccccc2)CC1	ZINC000733995255	1076287290	/nfs/dbraw/zinc/28/72/90/1076287290.db2.gz	GPRSKDFDIXHCAG-PKOBYXMFSA-N	1	1	407.511	1.185	20	0		HDADMO
CN(C)c1[nH+]cc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)n1C	ZINC000733970189	1076287632	/nfs/dbraw/zinc/28/76/32/1076287632.db2.gz	LRKQZEBCEDURQL-UHFFFAOYSA-N	1	1	402.476	1.983	20	0		HDADMO
COc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)c(C(=O)N(C)C)cc1OC	ZINC000727952504	1076296291	/nfs/dbraw/zinc/29/62/91/1076296291.db2.gz	NENLORZVWFQUQK-UHFFFAOYSA-N	1	1	420.510	1.287	20	0		HDADMO
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000727989996	1076298596	/nfs/dbraw/zinc/29/85/96/1076298596.db2.gz	YHOJBFIOJXOIOC-GFGNLIMNSA-N	1	1	410.584	1.351	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@@H]21	ZINC001083147836	1076304546	/nfs/dbraw/zinc/30/45/46/1076304546.db2.gz	HYIDDOMERGFFPZ-VYKNERDSSA-N	1	1	404.457	1.842	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)C[C@@H]21	ZINC001083147836	1076304550	/nfs/dbraw/zinc/30/45/50/1076304550.db2.gz	HYIDDOMERGFFPZ-VYKNERDSSA-N	1	1	404.457	1.842	20	0		HDADMO
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1	ZINC000734079363	1076304590	/nfs/dbraw/zinc/30/45/90/1076304590.db2.gz	UPKHAEJWXKSQDJ-HSZRJFAPSA-N	1	1	411.502	1.524	20	0		HDADMO
NC(=O)C[NH+]1CCC(NC(=O)c2ccc(I)cc2Cl)CC1	ZINC000728064630	1076314935	/nfs/dbraw/zinc/31/49/35/1076314935.db2.gz	GFAGJDURJOKWDB-UHFFFAOYSA-N	1	1	421.666	1.624	20	0		HDADMO
Cc1cc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)CC2)nc(C(C)C)n1	ZINC000728053826	1076320294	/nfs/dbraw/zinc/32/02/94/1076320294.db2.gz	SXSCQHRBVINDRL-GOSISDBHSA-N	1	1	417.554	1.642	20	0		HDADMO
O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000728054673	1076321538	/nfs/dbraw/zinc/32/15/38/1076321538.db2.gz	ZAWLJZPWBJORKD-FQEVSTJZSA-N	1	1	415.534	1.351	20	0		HDADMO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(CC(C)(C)O)CC3)cc2)CC1	ZINC000728054551	1076321981	/nfs/dbraw/zinc/32/19/81/1076321981.db2.gz	JFBDIFJCIRTXBW-UHFFFAOYSA-N	1	1	403.571	1.156	20	0		HDADMO
O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)NCc1ccccc1CN1CCOCC1	ZINC000728055086	1076322943	/nfs/dbraw/zinc/32/29/43/1076322943.db2.gz	IREVZBKREXSQGV-HXUWFJFHSA-N	1	1	403.523	1.220	20	0		HDADMO
CO[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1	ZINC000728056078	1076323314	/nfs/dbraw/zinc/32/33/14/1076323314.db2.gz	AJMKAEKAMVIPOQ-QLTJYVKOSA-N	1	1	407.536	1.242	20	0		HDADMO
CO[C@@H]1CCC[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1	ZINC000728056395	1076323335	/nfs/dbraw/zinc/32/33/35/1076323335.db2.gz	STLBEEBHZZJHMM-VGVSSDJJSA-N	1	1	404.492	1.345	20	0		HDADMO
CO[C@@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1	ZINC000728056395	1076323341	/nfs/dbraw/zinc/32/33/41/1076323341.db2.gz	STLBEEBHZZJHMM-VGVSSDJJSA-N	1	1	404.492	1.345	20	0		HDADMO
CN(CCS(C)(=O)=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000728130069	1076338949	/nfs/dbraw/zinc/33/89/49/1076338949.db2.gz	TUQVSGPBRQORFI-UHFFFAOYSA-N	1	1	410.584	1.270	20	0		HDADMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1	ZINC000728141018	1076341873	/nfs/dbraw/zinc/34/18/73/1076341873.db2.gz	LMFUSUAGVLBJDB-UHFFFAOYSA-N	1	1	414.481	1.849	20	0		HDADMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N(C)CCS(C)(=O)=O)c1	ZINC000728142412	1076342268	/nfs/dbraw/zinc/34/22/68/1076342268.db2.gz	FOSZYSBPJJTLPB-UHFFFAOYSA-N	1	1	406.508	1.496	20	0		HDADMO
C[C@]1(c2ccccn2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000728162741	1076351473	/nfs/dbraw/zinc/35/14/73/1076351473.db2.gz	XUHZHTUNYHMCEN-JOCHJYFZSA-N	1	1	407.474	1.193	20	0		HDADMO
CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1	ZINC000498003957	1076353492	/nfs/dbraw/zinc/35/34/92/1076353492.db2.gz	YUDXYUUKQKKWOA-HUUCEWRRSA-N	1	1	401.385	1.527	20	0		HDADMO
CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1	ZINC000498003957	1076353498	/nfs/dbraw/zinc/35/34/98/1076353498.db2.gz	YUDXYUUKQKKWOA-HUUCEWRRSA-N	1	1	401.385	1.527	20	0		HDADMO
COc1ccc(OCC[N@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1	ZINC000027360685	1076359181	/nfs/dbraw/zinc/35/91/81/1076359181.db2.gz	NZBLAEYSPNZOHK-UHFFFAOYSA-N	1	1	419.503	1.243	20	0		HDADMO
COc1ccc(OCC[N@@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1	ZINC000027360685	1076359187	/nfs/dbraw/zinc/35/91/87/1076359187.db2.gz	NZBLAEYSPNZOHK-UHFFFAOYSA-N	1	1	419.503	1.243	20	0		HDADMO
NS(=O)(=O)c1ccc(OCCN2CC[NH+](CCOc3ccccc3)CC2)cc1	ZINC000027359470	1076359357	/nfs/dbraw/zinc/35/93/57/1076359357.db2.gz	XRTMLWYKVIKOKW-UHFFFAOYSA-N	1	1	405.520	1.409	20	0		HDADMO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000027362333	1076359379	/nfs/dbraw/zinc/35/93/79/1076359379.db2.gz	HLQLQAQVQHYAJM-CYBMUJFWSA-N	1	1	413.521	1.053	20	0		HDADMO
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C3OCCO3)CC2)C1	ZINC000728173448	1076365066	/nfs/dbraw/zinc/36/50/66/1076365066.db2.gz	YXKXNBOJMNTSRS-IEBWSBKVSA-N	1	1	407.555	1.711	20	0		HDADMO
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C3OCCO3)CC2)C1	ZINC000728173448	1076365071	/nfs/dbraw/zinc/36/50/71/1076365071.db2.gz	YXKXNBOJMNTSRS-IEBWSBKVSA-N	1	1	407.555	1.711	20	0		HDADMO
CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)cc1	ZINC001084531267	1076367730	/nfs/dbraw/zinc/36/77/30/1076367730.db2.gz	AWPKSLZWVBHTCJ-CPIJNGAXSA-N	1	1	409.530	1.845	20	0		HDADMO
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@@H+](CCc3ccc4c(c3)OCCO4)C[C@H]21	ZINC001084531680	1076368889	/nfs/dbraw/zinc/36/88/89/1076368889.db2.gz	YURCURSCDIENPW-XIEJKZNCSA-N	1	1	410.514	1.956	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CC[N@@H+](Cc3cc(CO)ccc3F)C[C@H]21	ZINC001084540533	1076370527	/nfs/dbraw/zinc/37/05/27/1076370527.db2.gz	IJSXTRRIBVFVPS-LFERKSGWSA-N	1	1	404.482	1.402	20	0		HDADMO
O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CC[N@H+](Cc3cc(CO)ccc3F)C[C@H]21	ZINC001084540533	1076370532	/nfs/dbraw/zinc/37/05/32/1076370532.db2.gz	IJSXTRRIBVFVPS-LFERKSGWSA-N	1	1	404.482	1.402	20	0		HDADMO
Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)c(Cl)n1	ZINC000729980718	1076404643	/nfs/dbraw/zinc/40/46/43/1076404643.db2.gz	SYHFKVCPGRKHNI-UHFFFAOYSA-N	1	1	407.946	1.354	20	0		HDADMO
CCN(CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ccccc1	ZINC000729980251	1076404756	/nfs/dbraw/zinc/40/47/56/1076404756.db2.gz	PUVQXPZNRIFCRN-UHFFFAOYSA-N	1	1	415.582	1.210	20	0		HDADMO
C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC000729980184	1076405174	/nfs/dbraw/zinc/40/51/74/1076405174.db2.gz	LLDAHWPNLVQYQI-SFHVURJKSA-N	1	1	418.557	1.701	20	0		HDADMO
COc1ccc(Cl)cc1CC(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000730032174	1076412945	/nfs/dbraw/zinc/41/29/45/1076412945.db2.gz	MUDJWVAPOQFDQA-KRWDZBQOSA-N	1	1	412.914	1.907	20	0		HDADMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1	ZINC000730035742	1076413527	/nfs/dbraw/zinc/41/35/27/1076413527.db2.gz	DGCUJFBHBPCZMB-AWEZNQCLSA-N	1	1	424.548	1.139	20	0		HDADMO
C[C@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000730053404	1076428029	/nfs/dbraw/zinc/42/80/29/1076428029.db2.gz	GRGFCAJHSIOYEW-PXNSSMCTSA-N	1	1	421.497	1.965	20	0		HDADMO
CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1F	ZINC000730083931	1076430752	/nfs/dbraw/zinc/43/07/52/1076430752.db2.gz	BPNTXMVXALEIDR-IRXDYDNUSA-N	1	1	413.515	1.184	20	0		HDADMO
Cc1cnn(CC[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1	ZINC000730087044	1076441342	/nfs/dbraw/zinc/44/13/42/1076441342.db2.gz	TYILTSSKQCVNJZ-GOSISDBHSA-N	1	1	405.543	1.983	20	0		HDADMO
CNC(=O)C[NH+]1CCC(NC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000730115321	1076462242	/nfs/dbraw/zinc/46/22/42/1076462242.db2.gz	IZZGRJHHECUQTO-HNNXBMFYSA-N	1	1	411.547	1.143	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000730116178	1076462700	/nfs/dbraw/zinc/46/27/00/1076462700.db2.gz	PDKHFOVFQABURP-INIZCTEOSA-N	1	1	411.547	1.286	20	0		HDADMO
O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1	ZINC000730125439	1076465364	/nfs/dbraw/zinc/46/53/64/1076465364.db2.gz	HUFJXEYXFUSHGL-RBUKOAKNSA-N	1	1	401.511	1.845	20	0		HDADMO
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)n(C)c2)C1	ZINC000730216914	1076479184	/nfs/dbraw/zinc/47/91/84/1076479184.db2.gz	VZHYRHMWRPDODJ-IXDOHACOSA-N	1	1	424.567	1.039	20	0		HDADMO
COc1ccc2c(C)c(CCC(=O)N[C@H](C)C[NH+]3CCN(C)CC3)c(=O)oc2c1	ZINC000730228757	1076485618	/nfs/dbraw/zinc/48/56/18/1076485618.db2.gz	XMHVXAKWLIHVQU-OAHLLOKOSA-N	1	1	401.507	1.795	20	0		HDADMO
COC(=O)CC1CC[NH+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000730253555	1076499663	/nfs/dbraw/zinc/49/96/63/1076499663.db2.gz	RNCSDSJSGWBWLK-OAQYLSRUSA-N	1	1	403.479	1.781	20	0		HDADMO
Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1	ZINC000730286231	1076514734	/nfs/dbraw/zinc/51/47/34/1076514734.db2.gz	HCNJFWJXBQEJOO-INIZCTEOSA-N	1	1	402.568	1.684	20	0		HDADMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1=O	ZINC000730293786	1076531181	/nfs/dbraw/zinc/53/11/81/1076531181.db2.gz	PJJMNKOXPPEJPI-GVDBMIGSSA-N	1	1	408.543	1.445	20	0		HDADMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCOc2ccc(F)cc2F)cn1	ZINC000730388596	1076569235	/nfs/dbraw/zinc/56/92/35/1076569235.db2.gz	RWJURTIBVPAPDC-UHFFFAOYSA-N	1	1	401.373	1.988	20	0		HDADMO
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1	ZINC000730528141	1076589820	/nfs/dbraw/zinc/58/98/20/1076589820.db2.gz	WXQUJKSWIARNGZ-KRWDZBQOSA-N	1	1	410.559	1.883	20	0		HDADMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000730559947	1076595150	/nfs/dbraw/zinc/59/51/50/1076595150.db2.gz	OJTWOTVMFUITAV-ZBWUASRJSA-N	1	1	420.579	1.700	20	0		HDADMO
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000730825197	1076663097	/nfs/dbraw/zinc/66/30/97/1076663097.db2.gz	MMIJJXAEHRUCQH-HZPDHXFCSA-N	1	1	411.547	1.273	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1	ZINC000730808256	1076665850	/nfs/dbraw/zinc/66/58/50/1076665850.db2.gz	GJVZJAQCZXLGOP-SFHVURJKSA-N	1	1	422.570	1.790	20	0		HDADMO
CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1	ZINC000730808256	1076665853	/nfs/dbraw/zinc/66/58/53/1076665853.db2.gz	GJVZJAQCZXLGOP-SFHVURJKSA-N	1	1	422.570	1.790	20	0		HDADMO
NC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000730807881	1076666199	/nfs/dbraw/zinc/66/61/99/1076666199.db2.gz	AFYVCVZSDGXDBX-QFIPXVFZSA-N	1	1	408.502	1.937	20	0		HDADMO
NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000730807881	1076666202	/nfs/dbraw/zinc/66/62/02/1076666202.db2.gz	AFYVCVZSDGXDBX-QFIPXVFZSA-N	1	1	408.502	1.937	20	0		HDADMO
CC[N@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1	ZINC000730936455	1076696469	/nfs/dbraw/zinc/69/64/69/1076696469.db2.gz	LFTKFDJEDXFSRZ-CQSZACIVSA-N	1	1	415.943	1.433	20	0		HDADMO
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000731008660	1076709569	/nfs/dbraw/zinc/70/95/69/1076709569.db2.gz	LRIGDCZVOKTHQA-MAUKXSAKSA-N	1	1	418.538	1.913	20	0		HDADMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000731017985	1076711848	/nfs/dbraw/zinc/71/18/48/1076711848.db2.gz	JPROKSSSUDMDCU-KRWDZBQOSA-N	1	1	416.547	1.448	20	0		HDADMO
COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000731038178	1076716304	/nfs/dbraw/zinc/71/63/04/1076716304.db2.gz	CDUBHEMPTUZXMI-NSHDSACASA-N	1	1	405.314	1.856	20	0		HDADMO
CSCC[C@H]1NC(=S)N(Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1=O	ZINC000731041754	1076716686	/nfs/dbraw/zinc/71/66/86/1076716686.db2.gz	UKIHMYVZABWZNC-IAGOWNOFSA-N	1	1	420.604	1.722	20	0		HDADMO
NC(=O)CCNC(=O)c1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000731190098	1076743258	/nfs/dbraw/zinc/74/32/58/1076743258.db2.gz	LXJDQCJDTLGVRX-UHFFFAOYSA-N	1	1	423.517	1.048	20	0		HDADMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC2)CC1	ZINC000731201741	1076752467	/nfs/dbraw/zinc/75/24/67/1076752467.db2.gz	UEZWGZUSWNUQQA-UHFFFAOYSA-N	1	1	410.559	1.646	20	0		HDADMO